2026-04-29 17:00:04 NPdock start 2026-04-29 17:00:04 ver: server 2026-04-29 17:00:04 mode: 11111 2026-04-29 17:00:04 is RNA? 0 2026-04-29 17:00:04 Interface: prot: '' na: '' 2026-04-29 17:00:04 Curr dir:/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/ 2026-04-29 17:00:04 GRAMM in progress... 2026-04-29 17:00:04 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-04-29 18:08:38 GRAMM done 2026-04-29 18:08:38 DNP scoring in progress... 2026-04-29 18:08:38 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-04-29 18:08:38 QDV-DNP starts 2026-04-29 18:08:38 Show log every 100 structures 2026-04-29 18:08:38 QUASI-DNP starts 2026-04-29 18:08:39 na-prot_1000.pdb -651278.579353 2026-04-29 18:08:57 na-prot_94.pdb -649810.12676 2026-04-29 18:09:15 na-prot_194.pdb -531112.803731 2026-04-29 18:09:33 na-prot_294.pdb -670409.742895 2026-04-29 18:09:52 na-prot_394.pdb -786016.757174 2026-04-29 18:10:10 na-prot_494.pdb -550642.643248 2026-04-29 18:10:29 na-prot_594.pdb -481723.304454 2026-04-29 18:10:47 na-prot_694.pdb -561148.524949 2026-04-29 18:11:06 na-prot_794.pdb -759082.797999 2026-04-29 18:11:25 na-prot_894.pdb -943159.694612 2026-04-29 18:11:44 na-prot_994.pdb -751634.504741 2026-04-29 18:12:03 na-prot_1100.pdb -493311.403521 2026-04-29 18:12:22 na-prot_1200.pdb -659049.962224 2026-04-29 18:12:41 na-prot_1300.pdb -498248.85549 2026-04-29 18:13:00 na-prot_1400.pdb -809699.629876 2026-04-29 18:13:20 na-prot_1500.pdb -553646.182998 2026-04-29 18:13:39 na-prot_1600.pdb -637953.841429 2026-04-29 18:13:58 na-prot_1700.pdb -699304.55242 2026-04-29 18:14:18 na-prot_1800.pdb -646257.752647 2026-04-29 18:14:37 na-prot_1900.pdb -569853.386912 2026-04-29 18:14:56 na-prot_2000.pdb -444287.064069 2026-04-29 18:15:16 na-prot_2100.pdb -651164.956798 2026-04-29 18:15:35 na-prot_2200.pdb -753139.668988 2026-04-29 18:15:54 na-prot_2300.pdb -477497.418126 2026-04-29 18:16:14 na-prot_2400.pdb -365944.284189 2026-04-29 18:16:33 na-prot_2500.pdb -760616.140319 2026-04-29 18:16:52 na-prot_2600.pdb -544497.431991 2026-04-29 18:17:12 na-prot_2700.pdb -714435.192448 2026-04-29 18:17:31 na-prot_2800.pdb -684913.805319 2026-04-29 18:17:51 na-prot_2900.pdb -711007.232578 2026-04-29 18:18:10 na-prot_3000.pdb -424741.167549 2026-04-29 18:18:30 na-prot_3100.pdb -864979.579259 2026-04-29 18:18:49 na-prot_3200.pdb -729475.280592 2026-04-29 18:19:09 na-prot_3300.pdb -627039.40383 2026-04-29 18:19:28 na-prot_3400.pdb -517455.84807 2026-04-29 18:19:48 na-prot_3500.pdb -592353.611475 2026-04-29 18:20:07 na-prot_3600.pdb -955154.008399 2026-04-29 18:20:27 na-prot_3700.pdb -648355.295805 2026-04-29 18:20:46 na-prot_3800.pdb -610056.90738 2026-04-29 18:21:06 na-prot_3900.pdb -621930.072311 2026-04-29 18:21:25 na-prot_4000.pdb -566105.620001 2026-04-29 18:21:44 na-prot_4100.pdb -610402.647268 2026-04-29 18:22:04 na-prot_4200.pdb -583540.131758 2026-04-29 18:22:24 na-prot_4300.pdb -593439.627499 2026-04-29 18:22:43 na-prot_4400.pdb -724054.131435 2026-04-29 18:23:03 na-prot_4500.pdb -540152.826544 2026-04-29 18:23:22 na-prot_4600.pdb -574127.766833 2026-04-29 18:23:42 na-prot_4700.pdb -714158.522836 2026-04-29 18:24:01 na-prot_4800.pdb -620310.646653 2026-04-29 18:24:21 na-prot_4900.pdb -656927.52486 2026-04-29 18:24:40 na-prot_5000.pdb -496063.84633 2026-04-29 18:25:00 na-prot_5100.pdb -683463.841475 2026-04-29 18:25:20 na-prot_5200.pdb -387604.523694 2026-04-29 18:25:39 na-prot_5300.pdb -588488.188031 2026-04-29 18:25:59 na-prot_5400.pdb -526403.793628 2026-04-29 18:26:19 na-prot_5500.pdb -824993.533206 2026-04-29 18:26:38 na-prot_5600.pdb -619956.234081 2026-04-29 18:26:58 na-prot_5700.pdb -782012.879721 2026-04-29 18:27:18 na-prot_5800.pdb -936375.101127 2026-04-29 18:27:37 na-prot_5900.pdb -535617.351815 2026-04-29 18:27:57 na-prot_6000.pdb -703916.947871 2026-04-29 18:28:16 na-prot_6100.pdb -540924.464412 2026-04-29 18:28:36 na-prot_6200.pdb -605471.8675 2026-04-29 18:28:55 na-prot_6300.pdb -551919.063323 2026-04-29 18:29:15 na-prot_6400.pdb -806603.938948 2026-04-29 18:29:34 na-prot_6500.pdb -662882.45079 2026-04-29 18:29:54 na-prot_6600.pdb -475794.589568 2026-04-29 18:30:14 na-prot_6700.pdb -722995.403631 2026-04-29 18:30:33 na-prot_6800.pdb -567029.152937 2026-04-29 18:30:53 na-prot_6900.pdb -530660.97002 2026-04-29 18:31:13 na-prot_7000.pdb -543553.257241 2026-04-29 18:31:32 na-prot_7100.pdb -646777.056142 2026-04-29 18:31:52 na-prot_7200.pdb -615263.211548 2026-04-29 18:32:12 na-prot_7300.pdb -489529.420613 2026-04-29 18:32:31 na-prot_7400.pdb -512487.151296 2026-04-29 18:32:50 na-prot_7500.pdb -621391.024674 2026-04-29 18:33:10 na-prot_7600.pdb -460639.538265 2026-04-29 18:33:30 na-prot_7700.pdb -522021.158818 2026-04-29 18:33:50 na-prot_7800.pdb -742787.417836 2026-04-29 18:34:09 na-prot_7900.pdb -499608.297944 2026-04-29 18:34:29 na-prot_8000.pdb -651349.33077 2026-04-29 18:34:48 na-prot_8100.pdb -555389.524496 2026-04-29 18:35:08 na-prot_8200.pdb -520300.315981 2026-04-29 18:35:27 na-prot_8300.pdb -581465.464107 2026-04-29 18:35:47 na-prot_8400.pdb -741429.509036 2026-04-29 18:36:07 na-prot_8500.pdb -578113.847648 2026-04-29 18:36:26 na-prot_8600.pdb -1073807.80482 2026-04-29 18:36:46 na-prot_8700.pdb -505140.269591 2026-04-29 18:37:06 na-prot_8800.pdb -492654.204143 2026-04-29 18:37:25 na-prot_8900.pdb -540995.42635 2026-04-29 18:37:45 na-prot_9000.pdb -517303.232574 2026-04-29 18:38:04 na-prot_9100.pdb -617285.954816 2026-04-29 18:38:24 na-prot_9200.pdb -571909.91427 2026-04-29 18:38:43 na-prot_9300.pdb -682474.599431 2026-04-29 18:39:03 na-prot_9400.pdb -430754.754031 2026-04-29 18:39:23 na-prot_9500.pdb -647916.095462 2026-04-29 18:39:42 na-prot_9600.pdb -574118.955361 2026-04-29 18:40:02 na-prot_9700.pdb -762493.315174 2026-04-29 18:40:21 na-prot_9800.pdb -391596.432553 2026-04-29 18:40:41 na-prot_9900.pdb -943732.133664 2026-04-29 18:41:00 na-prot_10000.pdb -810035.828318 2026-04-29 18:41:20 na-prot_10100.pdb -616414.074521 2026-04-29 18:41:39 na-prot_10200.pdb -614573.445616 2026-04-29 18:41:59 na-prot_10300.pdb -606661.658233 2026-04-29 18:42:18 na-prot_10400.pdb -373018.252544 2026-04-29 18:42:38 na-prot_10500.pdb -655876.024947 2026-04-29 18:42:57 na-prot_10600.pdb -535197.097514 2026-04-29 18:43:17 na-prot_10700.pdb -517414.842822 2026-04-29 18:43:36 na-prot_10800.pdb -813151.899361 2026-04-29 18:43:56 na-prot_10900.pdb -464487.133387 2026-04-29 18:44:16 na-prot_11000.pdb -515280.938196 2026-04-29 18:44:35 na-prot_11100.pdb -403760.850635 2026-04-29 18:44:55 na-prot_11200.pdb -537245.131837 2026-04-29 18:45:14 na-prot_11300.pdb -669287.624918 2026-04-29 18:45:34 na-prot_11400.pdb -472080.619097 2026-04-29 18:45:53 na-prot_11500.pdb -384055.536346 2026-04-29 18:46:13 na-prot_11600.pdb -634894.134861 2026-04-29 18:46:32 na-prot_11700.pdb -544477.897648 2026-04-29 18:46:52 na-prot_11800.pdb -448691.661291 2026-04-29 18:47:11 na-prot_11900.pdb -439192.496224 2026-04-29 18:47:31 na-prot_12000.pdb -537482.117168 2026-04-29 18:47:50 na-prot_12100.pdb -611441.157143 2026-04-29 18:48:09 na-prot_12200.pdb -480201.334099 2026-04-29 18:48:28 na-prot_12300.pdb -578143.103911 2026-04-29 18:48:47 na-prot_12400.pdb -666688.695967 2026-04-29 18:49:07 na-prot_12500.pdb -984510.406526 2026-04-29 18:49:26 na-prot_12600.pdb -662582.852639 2026-04-29 18:49:46 na-prot_12700.pdb -661279.04563 2026-04-29 18:50:05 na-prot_12800.pdb -487668.252099 2026-04-29 18:50:25 na-prot_12900.pdb -626695.552687 2026-04-29 18:50:44 na-prot_13000.pdb -723054.90754 2026-04-29 18:51:04 na-prot_13100.pdb -556076.403486 2026-04-29 18:51:23 na-prot_13200.pdb -700719.2732 2026-04-29 18:51:43 na-prot_13300.pdb -676050.070055 2026-04-29 18:52:03 na-prot_13400.pdb -602139.261654 2026-04-29 18:52:22 na-prot_13500.pdb -417203.597774 2026-04-29 18:52:41 na-prot_13600.pdb -492008.470824 2026-04-29 18:53:01 na-prot_13700.pdb -482836.817029 2026-04-29 18:53:20 na-prot_13800.pdb -683269.675812 2026-04-29 18:53:40 na-prot_13900.pdb -695759.826138 2026-04-29 18:53:59 na-prot_14000.pdb -674062.97616 2026-04-29 18:54:19 na-prot_14100.pdb -729061.426046 2026-04-29 18:54:38 na-prot_14200.pdb -517755.735173 2026-04-29 18:54:58 na-prot_14300.pdb -631443.654951 2026-04-29 18:55:17 na-prot_14400.pdb -390836.624151 2026-04-29 18:55:36 na-prot_14500.pdb -624186.90532 2026-04-29 18:55:56 na-prot_14600.pdb -699430.472236 2026-04-29 18:56:15 na-prot_14700.pdb -365327.20725 2026-04-29 18:56:35 na-prot_14800.pdb -547241.028566 2026-04-29 18:56:56 na-prot_14900.pdb -563037.508 2026-04-29 18:57:18 na-prot_15000.pdb -380472.47303 2026-04-29 18:57:37 na-prot_15100.pdb -444686.3366 2026-04-29 18:57:57 na-prot_15200.pdb -555270.118124 2026-04-29 18:58:17 na-prot_15300.pdb -836050.639881 2026-04-29 18:58:36 na-prot_15400.pdb -565380.66618 2026-04-29 18:58:55 na-prot_15500.pdb -425122.197549 2026-04-29 18:59:15 na-prot_15600.pdb -451693.303893 2026-04-29 18:59:34 na-prot_15700.pdb -560682.035145 2026-04-29 18:59:53 na-prot_15800.pdb -533792.363035 2026-04-29 19:00:13 na-prot_15900.pdb -431671.126016 2026-04-29 19:00:32 na-prot_16000.pdb -642400.117386 2026-04-29 19:00:52 na-prot_16100.pdb -345175.660211 2026-04-29 19:01:12 na-prot_16200.pdb -463708.021619 2026-04-29 19:01:31 na-prot_16300.pdb -373131.972571 2026-04-29 19:01:50 na-prot_16400.pdb -716640.651889 2026-04-29 19:02:10 na-prot_16500.pdb -814770.983745 2026-04-29 19:02:30 na-prot_16600.pdb -682218.805256 2026-04-29 19:02:49 na-prot_16700.pdb -694239.933953 2026-04-29 19:03:09 na-prot_16800.pdb -577202.724463 2026-04-29 19:03:28 na-prot_16900.pdb -577670.499507 2026-04-29 19:03:48 na-prot_17000.pdb -546858.139803 2026-04-29 19:04:08 na-prot_17100.pdb -564478.326066 2026-04-29 19:04:27 na-prot_17200.pdb -418198.979748 2026-04-29 19:04:47 na-prot_17300.pdb -386800.786649 2026-04-29 19:05:06 na-prot_17400.pdb -561446.461046 2026-04-29 19:05:26 na-prot_17500.pdb -508695.613041 2026-04-29 19:05:45 na-prot_17600.pdb -427330.987382 2026-04-29 19:06:05 na-prot_17700.pdb -537503.516825 2026-04-29 19:06:24 na-prot_17800.pdb -456211.548952 2026-04-29 19:06:43 na-prot_17900.pdb -500196.558078 2026-04-29 19:07:03 na-prot_18000.pdb -631429.982439 2026-04-29 19:07:22 na-prot_18100.pdb -687224.580935 2026-04-29 19:07:42 na-prot_18200.pdb -581561.202497 2026-04-29 19:08:01 na-prot_18300.pdb -582855.759659 2026-04-29 19:08:21 na-prot_18400.pdb -528953.231777 2026-04-29 19:08:40 na-prot_18500.pdb -519250.745722 2026-04-29 19:08:59 na-prot_18600.pdb -396214.990206 2026-04-29 19:09:19 na-prot_18700.pdb -590750.749367 2026-04-29 19:09:38 na-prot_18800.pdb -654589.978515 2026-04-29 19:09:58 na-prot_18900.pdb -612896.529878 2026-04-29 19:10:17 na-prot_19000.pdb -760800.244085 2026-04-29 19:10:37 na-prot_19100.pdb -352376.938514 2026-04-29 19:10:56 na-prot_19200.pdb -429980.624245 2026-04-29 19:11:16 na-prot_19300.pdb -473131.963736 2026-04-29 19:11:35 na-prot_19400.pdb -355887.586166 2026-04-29 19:11:55 na-prot_19500.pdb -476747.920741 2026-04-29 19:12:15 na-prot_19600.pdb -496061.759111 2026-04-29 19:12:34 na-prot_19700.pdb -550885.344598 2026-04-29 19:12:53 na-prot_19800.pdb -614011.039752 2026-04-29 19:13:13 na-prot_19900.pdb -497690.540864 2026-04-29 19:13:32 na-prot_20000.pdb -496304.182973 2026-04-29 19:13:32 Varani starts 2026-04-29 19:13:32 na-prot_1000.pdb 250.353 2026-04-29 19:14:04 na-prot_94.pdb 155.365 2026-04-29 19:14:36 na-prot_194.pdb 258.584 2026-04-29 19:15:07 na-prot_294.pdb 195.12 2026-04-29 19:15:38 na-prot_394.pdb 17.475 2026-04-29 19:16:10 na-prot_494.pdb 155.245 2026-04-29 19:16:42 na-prot_594.pdb 47.021 2026-04-29 19:17:13 na-prot_694.pdb 192.048 2026-04-29 19:17:45 na-prot_794.pdb 151.976 2026-04-29 19:18:16 na-prot_894.pdb 325.029 2026-04-29 19:18:48 na-prot_994.pdb 337.672 2026-04-29 19:19:20 na-prot_1100.pdb 142.764 2026-04-29 19:19:51 na-prot_1200.pdb 152.479 2026-04-29 19:20:23 na-prot_1300.pdb 160.14 2026-04-29 19:20:54 na-prot_1400.pdb 290.86 2026-04-29 19:21:26 na-prot_1500.pdb 132.213 2026-04-29 19:21:58 na-prot_1600.pdb 28.716 2026-04-29 19:22:29 na-prot_1700.pdb 425.657 2026-04-29 19:23:01 na-prot_1800.pdb 259.025 2026-04-29 19:23:32 na-prot_1900.pdb 105.898 2026-04-29 19:24:04 na-prot_2000.pdb 141.802 2026-04-29 19:24:36 na-prot_2100.pdb 24.582 2026-04-29 19:25:08 na-prot_2200.pdb 87.999 2026-04-29 19:25:40 na-prot_2300.pdb 149.325 2026-04-29 19:26:12 na-prot_2400.pdb 100.628 2026-04-29 19:26:46 na-prot_2500.pdb 165.312 2026-04-29 19:27:18 na-prot_2600.pdb 224.49 2026-04-29 19:27:50 na-prot_2700.pdb 82.783 2026-04-29 19:28:23 na-prot_2800.pdb 262.231 2026-04-29 19:28:56 na-prot_2900.pdb 358.071 2026-04-29 19:29:28 na-prot_3000.pdb 247.191 2026-04-29 19:30:00 na-prot_3100.pdb 470.769 2026-04-29 19:30:32 na-prot_3200.pdb 199.557 2026-04-29 19:31:04 na-prot_3300.pdb 116.458 2026-04-29 19:31:36 na-prot_3400.pdb 188.583 2026-04-29 19:32:08 na-prot_3500.pdb 155.342 2026-04-29 19:32:39 na-prot_3600.pdb 370.843 2026-04-29 19:33:11 na-prot_3700.pdb 21.219 2026-04-29 19:33:43 na-prot_3800.pdb 201.729 2026-04-29 19:34:15 na-prot_3900.pdb 15.555 2026-04-29 19:34:46 na-prot_4000.pdb 36.133 2026-04-29 19:35:18 na-prot_4100.pdb 182.952 2026-04-29 19:35:49 na-prot_4200.pdb 149.941 2026-04-29 19:36:21 na-prot_4300.pdb 5.621 2026-04-29 19:36:52 na-prot_4400.pdb 19.923 2026-04-29 19:37:24 na-prot_4500.pdb 156.748 2026-04-29 19:37:56 na-prot_4600.pdb 170.524 2026-04-29 19:38:27 na-prot_4700.pdb 161.498 2026-04-29 19:38:58 na-prot_4800.pdb 100.093 2026-04-29 19:39:30 na-prot_4900.pdb 140.759 2026-04-29 19:40:01 na-prot_5000.pdb 161.197 2026-04-29 19:40:33 na-prot_5100.pdb 211.206 2026-04-29 19:41:05 na-prot_5200.pdb 173.737 2026-04-29 19:41:36 na-prot_5300.pdb 133.956 2026-04-29 19:42:07 na-prot_5400.pdb 76.102 2026-04-29 19:42:39 na-prot_5500.pdb 60.876 2026-04-29 19:43:10 na-prot_5600.pdb 138.264 2026-04-29 19:43:42 na-prot_5700.pdb 76.474 2026-04-29 19:44:13 na-prot_5800.pdb 291.529 2026-04-29 19:44:45 na-prot_5900.pdb 189.294 2026-04-29 19:45:17 na-prot_6000.pdb 290.951 2026-04-29 19:45:49 na-prot_6100.pdb -41.881 2026-04-29 19:46:21 na-prot_6200.pdb 138.654 2026-04-29 19:46:53 na-prot_6300.pdb 39.323 2026-04-29 19:47:24 na-prot_6400.pdb 298.479 2026-04-29 19:47:56 na-prot_6500.pdb 239.321 2026-04-29 19:48:27 na-prot_6600.pdb -23.913 2026-04-29 19:48:59 na-prot_6700.pdb 34.614 2026-04-29 19:49:30 na-prot_6800.pdb 243.605 2026-04-29 19:50:02 na-prot_6900.pdb 138.037 2026-04-29 19:50:34 na-prot_7000.pdb 112.688 2026-04-29 19:51:06 na-prot_7100.pdb 75.112 2026-04-29 19:51:37 na-prot_7200.pdb 72.193 2026-04-29 19:52:09 na-prot_7300.pdb 149.527 2026-04-29 19:52:41 na-prot_7400.pdb 95.769 2026-04-29 19:53:12 na-prot_7500.pdb 78.652 2026-04-29 19:53:44 na-prot_7600.pdb 125.232 2026-04-29 19:54:15 na-prot_7700.pdb 137.448 2026-04-29 19:54:47 na-prot_7800.pdb 160.506 2026-04-29 19:55:19 na-prot_7900.pdb 180.118 2026-04-29 19:55:50 na-prot_8000.pdb 197.031 2026-04-29 19:56:22 na-prot_8100.pdb 66.061 2026-04-29 19:56:53 na-prot_8200.pdb 161.619 2026-04-29 19:57:25 na-prot_8300.pdb 221.263 2026-04-29 19:57:57 na-prot_8400.pdb 26.29 2026-04-29 19:58:29 na-prot_8500.pdb 87.418 2026-04-29 19:59:01 na-prot_8600.pdb 329.787 2026-04-29 19:59:34 na-prot_8700.pdb 122.597 2026-04-29 20:00:06 na-prot_8800.pdb 18.466 2026-04-29 20:00:38 na-prot_8900.pdb 129.906 2026-04-29 20:01:10 na-prot_9000.pdb 192.836 2026-04-29 20:01:41 na-prot_9100.pdb 79.197 2026-04-29 20:02:13 na-prot_9200.pdb 278.174 2026-04-29 20:02:45 na-prot_9300.pdb 171.238 2026-04-29 20:03:16 na-prot_9400.pdb 195.498 2026-04-29 20:03:48 na-prot_9500.pdb 62.965 2026-04-29 20:04:20 na-prot_9600.pdb 50.443 2026-04-29 20:04:51 na-prot_9700.pdb 321.134 2026-04-29 20:05:23 na-prot_9800.pdb 46.589 2026-04-29 20:05:55 na-prot_9900.pdb 218.689 2026-04-29 20:06:27 na-prot_10000.pdb 515.227 2026-04-29 20:07:01 na-prot_10100.pdb 109.961 2026-04-29 20:07:33 na-prot_10200.pdb 97.943 2026-04-29 20:08:05 na-prot_10300.pdb 116.1 2026-04-29 20:08:36 na-prot_10400.pdb 79.799 2026-04-29 20:09:08 na-prot_10500.pdb 213.614 2026-04-29 20:09:40 na-prot_10600.pdb 191.037 2026-04-29 20:10:12 na-prot_10700.pdb 292.878 2026-04-29 20:10:44 na-prot_10800.pdb -50.539 2026-04-29 20:11:15 na-prot_10900.pdb 181.361 2026-04-29 20:11:47 na-prot_11000.pdb 188.989 2026-04-29 20:12:19 na-prot_11100.pdb 155.595 2026-04-29 20:12:50 na-prot_11200.pdb 155.274 2026-04-29 20:13:22 na-prot_11300.pdb 51.222 2026-04-29 20:13:54 na-prot_11400.pdb 140.609 2026-04-29 20:14:26 na-prot_11500.pdb 73.761 2026-04-29 20:14:58 na-prot_11600.pdb 45.428 2026-04-29 20:15:29 na-prot_11700.pdb 129.561 2026-04-29 20:16:01 na-prot_11800.pdb 163.513 2026-04-29 20:16:33 na-prot_11900.pdb 55.601 2026-04-29 20:17:04 na-prot_12000.pdb 208.705 2026-04-29 20:17:36 na-prot_12100.pdb 78.42 2026-04-29 20:18:08 na-prot_12200.pdb 205.046 2026-04-29 20:18:39 na-prot_12300.pdb 90.856 2026-04-29 20:19:11 na-prot_12400.pdb -24.069 2026-04-29 20:19:43 na-prot_12500.pdb -81.056 2026-04-29 20:20:14 na-prot_12600.pdb 154.068 2026-04-29 20:20:48 na-prot_12700.pdb 57.477 2026-04-29 20:21:21 na-prot_12800.pdb 222.074 2026-04-29 20:21:53 na-prot_12900.pdb 193.911 2026-04-29 20:22:25 na-prot_13000.pdb 106.081 2026-04-29 20:22:56 na-prot_13100.pdb -15.508 2026-04-29 20:23:28 na-prot_13200.pdb 284.737 2026-04-29 20:24:00 na-prot_13300.pdb 148.744 2026-04-29 20:24:32 na-prot_13400.pdb 234.613 2026-04-29 20:25:03 na-prot_13500.pdb 58.791 2026-04-29 20:25:35 na-prot_13600.pdb -14.182 2026-04-29 20:26:07 na-prot_13700.pdb 173.316 2026-04-29 20:26:38 na-prot_13800.pdb 149.852 2026-04-29 20:27:09 na-prot_13900.pdb 441.065 2026-04-29 20:27:41 na-prot_14000.pdb 185.425 2026-04-29 20:28:13 na-prot_14100.pdb 126.88 2026-04-29 20:28:44 na-prot_14200.pdb 74.526 2026-04-29 20:29:15 na-prot_14300.pdb 188.396 2026-04-29 20:29:47 na-prot_14400.pdb 40.562 2026-04-29 20:30:18 na-prot_14500.pdb 101.809 2026-04-29 20:30:50 na-prot_14600.pdb 217.418 2026-04-29 20:31:22 na-prot_14700.pdb 118.884 2026-04-29 20:31:53 na-prot_14800.pdb -5.216 2026-04-29 20:32:25 na-prot_14900.pdb -12.823 2026-04-29 20:32:56 na-prot_15000.pdb 66.167 2026-04-29 20:33:28 na-prot_15100.pdb 146.192 2026-04-29 20:33:59 na-prot_15200.pdb 38.755 2026-04-29 20:34:31 na-prot_15300.pdb 198.086 2026-04-29 20:35:02 na-prot_15400.pdb 281.872 2026-04-29 20:35:34 na-prot_15500.pdb 180.204 2026-04-29 20:36:06 na-prot_15600.pdb 115.34 2026-04-29 20:36:38 na-prot_15700.pdb 184.012 2026-04-29 20:37:10 na-prot_15800.pdb 96.388 2026-04-29 20:37:41 na-prot_15900.pdb 58.786 2026-04-29 20:38:13 na-prot_16000.pdb 109.378 2026-04-29 20:38:45 na-prot_16100.pdb 61.656 2026-04-29 20:39:16 na-prot_16200.pdb 77.346 2026-04-29 20:39:48 na-prot_16300.pdb 126.215 2026-04-29 20:40:19 na-prot_16400.pdb 221.534 2026-04-29 20:40:51 na-prot_16500.pdb 251.506 2026-04-29 20:41:23 na-prot_16600.pdb 312.758 2026-04-29 20:41:54 na-prot_16700.pdb -53.461 2026-04-29 20:42:26 na-prot_16800.pdb 144.241 2026-04-29 20:42:57 na-prot_16900.pdb 34.198 2026-04-29 20:43:29 na-prot_17000.pdb 170.527 2026-04-29 20:44:00 na-prot_17100.pdb 46.701 2026-04-29 20:44:31 na-prot_17200.pdb 267.547 2026-04-29 20:45:02 na-prot_17300.pdb 117.899 2026-04-29 20:45:34 na-prot_17400.pdb 85.157 2026-04-29 20:46:06 na-prot_17500.pdb 246.631 2026-04-29 20:46:37 na-prot_17600.pdb 126.007 2026-04-29 20:47:09 na-prot_17700.pdb 122.385 2026-04-29 20:47:41 na-prot_17800.pdb 67.703 2026-04-29 20:48:12 na-prot_17900.pdb 78.766 2026-04-29 20:48:44 na-prot_18000.pdb 107.446 2026-04-29 20:49:15 na-prot_18100.pdb -17.697 2026-04-29 20:49:47 na-prot_18200.pdb -19.042 2026-04-29 20:50:18 na-prot_18300.pdb 46.75 2026-04-29 20:50:50 na-prot_18400.pdb 76.566 2026-04-29 20:51:22 na-prot_18500.pdb 47.581 2026-04-29 20:51:53 na-prot_18600.pdb 99.907 2026-04-29 20:52:24 na-prot_18700.pdb 131.142 2026-04-29 20:52:56 na-prot_18800.pdb 203.929 2026-04-29 20:53:27 na-prot_18900.pdb 140.099 2026-04-29 20:53:59 na-prot_19000.pdb 405.919 2026-04-29 20:54:30 na-prot_19100.pdb 140.163 2026-04-29 20:55:02 na-prot_19200.pdb 127.828 2026-04-29 20:55:34 na-prot_19300.pdb 75.984 2026-04-29 20:56:05 na-prot_19400.pdb 52.597 2026-04-29 20:56:37 na-prot_19500.pdb 165.425 2026-04-29 20:57:09 na-prot_19600.pdb 224.25 2026-04-29 20:57:41 na-prot_19700.pdb 21.027 2026-04-29 20:58:13 na-prot_19800.pdb 92.054 2026-04-29 20:58:45 na-prot_19900.pdb 205.324 2026-04-29 20:59:16 na-prot_20000.pdb 182.323 2026-04-29 20:59:16 DFIRE starts 2026-04-29 20:59:17 na-prot_1000.pdb -59.377914 2026-04-29 20:59:56 na-prot_94.pdb -58.411722 2026-04-29 21:00:35 na-prot_194.pdb -56.505990 2026-04-29 21:01:14 na-prot_294.pdb -62.970788 2026-04-29 21:01:54 na-prot_394.pdb -71.809595 2026-04-29 21:02:33 na-prot_494.pdb -62.562945 2026-04-29 21:03:12 na-prot_594.pdb -52.012274 2026-04-29 21:03:52 na-prot_694.pdb -51.511397 2026-04-29 21:04:32 na-prot_794.pdb -56.465136 2026-04-29 21:05:11 na-prot_894.pdb -66.107507 2026-04-29 21:05:51 na-prot_994.pdb -65.648865 2026-04-29 21:06:30 na-prot_1100.pdb -40.400957 2026-04-29 21:07:09 na-prot_1200.pdb -61.936048 2026-04-29 21:07:48 na-prot_1300.pdb -52.701744 2026-04-29 21:08:28 na-prot_1400.pdb -60.479921 2026-04-29 21:09:07 na-prot_1500.pdb -56.912728 2026-04-29 21:09:45 na-prot_1600.pdb -59.926012 2026-04-29 21:10:24 na-prot_1700.pdb -55.628743 2026-04-29 21:11:03 na-prot_1800.pdb -69.963013 2026-04-29 21:11:42 na-prot_1900.pdb -60.105732 2026-04-29 21:12:22 na-prot_2000.pdb -41.285409 2026-04-29 21:13:02 na-prot_2100.pdb -68.564784 2026-04-29 21:13:41 na-prot_2200.pdb -71.552356 2026-04-29 21:14:20 na-prot_2300.pdb -54.565588 2026-04-29 21:15:00 na-prot_2400.pdb -48.829911 2026-04-29 21:15:39 na-prot_2500.pdb -63.558229 2026-04-29 21:16:18 na-prot_2600.pdb -55.124337 2026-04-29 21:16:57 na-prot_2700.pdb -71.680251 2026-04-29 21:17:36 na-prot_2800.pdb -55.772522 2026-04-29 21:18:15 na-prot_2900.pdb -63.446338 2026-04-29 21:18:54 na-prot_3000.pdb -46.040331 2026-04-29 21:19:32 na-prot_3100.pdb -66.760439 2026-04-29 21:20:11 na-prot_3200.pdb -56.130160 2026-04-29 21:20:50 na-prot_3300.pdb -59.117670 2026-04-29 21:21:29 na-prot_3400.pdb -54.197535 2026-04-29 21:22:08 na-prot_3500.pdb -48.459922 2026-04-29 21:22:48 na-prot_3600.pdb -66.347451 2026-04-29 21:23:27 na-prot_3700.pdb -68.903938 2026-04-29 21:24:06 na-prot_3800.pdb -56.310048 2026-04-29 21:24:45 na-prot_3900.pdb -67.549275 2026-04-29 21:25:25 na-prot_4000.pdb -51.770149 2026-04-29 21:26:04 na-prot_4100.pdb -60.906610 2026-04-29 21:26:43 na-prot_4200.pdb -47.586580 2026-04-29 21:27:22 na-prot_4300.pdb -53.305658 2026-04-29 21:28:02 na-prot_4400.pdb -52.496595 2026-04-29 21:28:41 na-prot_4500.pdb -46.791576 2026-04-29 21:29:21 na-prot_4600.pdb -58.057352 2026-04-29 21:30:00 na-prot_4700.pdb -64.325692 2026-04-29 21:30:40 na-prot_4800.pdb -49.217530 2026-04-29 21:31:19 na-prot_4900.pdb -64.540776 2026-04-29 21:31:58 na-prot_5000.pdb -49.311846 2026-04-29 21:32:38 na-prot_5100.pdb -56.232231 2026-04-29 21:33:17 na-prot_5200.pdb -39.154300 2026-04-29 21:33:56 na-prot_5300.pdb -62.209681 2026-04-29 21:34:38 na-prot_5400.pdb -41.550254 2026-04-29 21:35:19 na-prot_5500.pdb -67.519776 2026-04-29 21:35:58 na-prot_5600.pdb -57.222382 2026-04-29 21:36:37 na-prot_5700.pdb -65.103216 2026-04-29 21:37:17 na-prot_5800.pdb -84.861892 2026-04-29 21:37:56 na-prot_5900.pdb -56.467860 2026-04-29 21:38:35 na-prot_6000.pdb -68.814946 2026-04-29 21:39:14 na-prot_6100.pdb -46.329120 2026-04-29 21:39:53 na-prot_6200.pdb -59.903942 2026-04-29 21:40:32 na-prot_6300.pdb -51.848308 2026-04-29 21:41:11 na-prot_6400.pdb -75.447199 2026-04-29 21:41:51 na-prot_6500.pdb -53.038077 2026-04-29 21:42:30 na-prot_6600.pdb -54.283461 2026-04-29 21:43:10 na-prot_6700.pdb -62.312191 2026-04-29 21:43:49 na-prot_6800.pdb -48.075721 2026-04-29 21:44:28 na-prot_6900.pdb -45.876157 2026-04-29 21:45:07 na-prot_7000.pdb -43.443588 2026-04-29 21:45:46 na-prot_7100.pdb -51.104800 2026-04-29 21:46:25 na-prot_7200.pdb -56.415284 2026-04-29 21:47:04 na-prot_7300.pdb -46.319933 2026-04-29 21:47:43 na-prot_7400.pdb -49.936607 2026-04-29 21:48:23 na-prot_7500.pdb -70.560444 2026-04-29 21:49:02 na-prot_7600.pdb -39.356097 2026-04-29 21:49:41 na-prot_7700.pdb -53.414351 2026-04-29 21:50:20 na-prot_7800.pdb -72.531282 2026-04-29 21:51:00 na-prot_7900.pdb -45.892650 2026-04-29 21:51:39 na-prot_8000.pdb -53.063824 2026-04-29 21:52:19 na-prot_8100.pdb -49.195891 2026-04-29 21:52:58 na-prot_8200.pdb -51.875480 2026-04-29 21:53:42 na-prot_8300.pdb -61.940877 2026-04-29 21:54:21 na-prot_8400.pdb -69.909889 2026-04-29 21:55:01 na-prot_8500.pdb -59.411300 2026-04-29 21:55:40 na-prot_8600.pdb -97.836537 2026-04-29 21:56:20 na-prot_8700.pdb -57.711521 2026-04-29 21:56:59 na-prot_8800.pdb -52.482677 2026-04-29 21:57:38 na-prot_8900.pdb -51.841838 2026-04-29 21:58:18 na-prot_9000.pdb -50.064124 2026-04-29 21:58:57 na-prot_9100.pdb -52.138531 2026-04-29 21:59:37 na-prot_9200.pdb -55.712967 2026-04-29 22:00:17 na-prot_9300.pdb -55.824486 2026-04-29 22:00:56 na-prot_9400.pdb -38.276489 2026-04-29 22:01:36 na-prot_9500.pdb -59.430197 2026-04-29 22:02:16 na-prot_9600.pdb -48.676286 2026-04-29 22:02:55 na-prot_9700.pdb -65.620011 2026-04-29 22:03:35 na-prot_9800.pdb -45.707969 2026-04-29 22:04:15 na-prot_9900.pdb -88.561810 2026-04-29 22:04:54 na-prot_10000.pdb -78.777136 2026-04-29 22:05:32 na-prot_10100.pdb -44.299655 2026-04-29 22:06:12 na-prot_10200.pdb -44.887128 2026-04-29 22:06:51 na-prot_10300.pdb -51.308224 2026-04-29 22:07:30 na-prot_10400.pdb -45.541202 2026-04-29 22:08:10 na-prot_10500.pdb -64.312634 2026-04-29 22:08:49 na-prot_10600.pdb -54.296105 2026-04-29 22:09:28 na-prot_10700.pdb -51.346661 2026-04-29 22:10:07 na-prot_10800.pdb -61.980256 2026-04-29 22:10:46 na-prot_10900.pdb -49.895970 2026-04-29 22:11:27 na-prot_11000.pdb -51.617649 2026-04-29 22:12:06 na-prot_11100.pdb -52.048132 2026-04-29 22:12:46 na-prot_11200.pdb -61.959804 2026-04-29 22:13:24 na-prot_11300.pdb -57.477793 2026-04-29 22:14:03 na-prot_11400.pdb -44.400263 2026-04-29 22:14:43 na-prot_11500.pdb -38.239803 2026-04-29 22:15:22 na-prot_11600.pdb -56.115647 2026-04-29 22:16:01 na-prot_11700.pdb -63.905749 2026-04-29 22:16:41 na-prot_11800.pdb -41.514954 2026-04-29 22:17:20 na-prot_11900.pdb -45.633159 2026-04-29 22:18:00 na-prot_12000.pdb -45.997285 2026-04-29 22:18:39 na-prot_12100.pdb -57.796669 2026-04-29 22:19:18 na-prot_12200.pdb -45.226863 2026-04-29 22:19:58 na-prot_12300.pdb -47.350765 2026-04-29 22:20:37 na-prot_12400.pdb -54.201375 2026-04-29 22:21:17 na-prot_12500.pdb -85.893423 2026-04-29 22:21:56 na-prot_12600.pdb -57.488814 2026-04-29 22:22:35 na-prot_12700.pdb -59.300248 2026-04-29 22:23:15 na-prot_12800.pdb -48.924104 2026-04-29 22:23:54 na-prot_12900.pdb -45.286019 2026-04-29 22:24:33 na-prot_13000.pdb -52.375440 2026-04-29 22:25:13 na-prot_13100.pdb -57.307515 2026-04-29 22:25:52 na-prot_13200.pdb -52.347763 2026-04-29 22:26:32 na-prot_13300.pdb -57.737462 2026-04-29 22:27:11 na-prot_13400.pdb -68.129974 2026-04-29 22:27:51 na-prot_13500.pdb -43.601841 2026-04-29 22:28:30 na-prot_13600.pdb -57.278681 2026-04-29 22:29:09 na-prot_13700.pdb -52.081263 2026-04-29 22:29:47 na-prot_13800.pdb -57.558735 2026-04-29 22:30:27 na-prot_13900.pdb -77.986022 2026-04-29 22:31:07 na-prot_14000.pdb -64.736659 2026-04-29 22:31:46 na-prot_14100.pdb -78.393264 2026-04-29 22:32:26 na-prot_14200.pdb -41.128895 2026-04-29 22:33:06 na-prot_14300.pdb -50.706020 2026-04-29 22:33:45 na-prot_14400.pdb -51.907316 2026-04-29 22:34:24 na-prot_14500.pdb -69.962943 2026-04-29 22:35:04 na-prot_14600.pdb -54.951684 2026-04-29 22:35:42 na-prot_14700.pdb -40.327550 2026-04-29 22:36:21 na-prot_14800.pdb -47.341264 2026-04-29 22:37:00 na-prot_14900.pdb -62.693357 2026-04-29 22:37:40 na-prot_15000.pdb -40.076626 2026-04-29 22:38:19 na-prot_15100.pdb -47.078227 2026-04-29 22:38:58 na-prot_15200.pdb -51.388739 2026-04-29 22:39:38 na-prot_15300.pdb -63.274986 2026-04-29 22:40:17 na-prot_15400.pdb -46.345284 2026-04-29 22:40:56 na-prot_15500.pdb -51.378325 2026-04-29 22:41:35 na-prot_15600.pdb -54.476933 2026-04-29 22:42:15 na-prot_15700.pdb -47.577245 2026-04-29 22:42:54 na-prot_15800.pdb -38.677177 2026-04-29 22:43:33 na-prot_15900.pdb -41.625117 2026-04-29 22:44:13 na-prot_16000.pdb -49.751412 2026-04-29 22:44:51 na-prot_16100.pdb -39.941437 2026-04-29 22:45:31 na-prot_16200.pdb -48.925675 2026-04-29 22:46:10 na-prot_16300.pdb -39.874367 2026-04-29 22:46:49 na-prot_16400.pdb -61.375671 2026-04-29 22:47:28 na-prot_16500.pdb -56.171354 2026-04-29 22:48:07 na-prot_16600.pdb -56.169002 2026-04-29 22:48:46 na-prot_16700.pdb -60.429029 2026-04-29 22:49:25 na-prot_16800.pdb -52.790162 2026-04-29 22:50:04 na-prot_16900.pdb -56.263757 2026-04-29 22:50:43 na-prot_17000.pdb -44.833015 2026-04-29 22:51:22 na-prot_17100.pdb -49.381083 2026-04-29 22:52:01 na-prot_17200.pdb -51.388955 2026-04-29 22:52:40 na-prot_17300.pdb -34.840298 2026-04-29 22:53:19 na-prot_17400.pdb -42.126267 2026-04-29 22:53:58 na-prot_17500.pdb -47.676135 2026-04-29 22:54:39 na-prot_17600.pdb -53.163893 2026-04-29 22:55:19 na-prot_17700.pdb -56.393131 2026-04-29 22:55:58 na-prot_17800.pdb -48.465624 2026-04-29 22:56:37 na-prot_17900.pdb -45.784868 2026-04-29 22:57:17 na-prot_18000.pdb -57.345130 2026-04-29 22:57:56 na-prot_18100.pdb -57.814783 2026-04-29 22:58:35 na-prot_18200.pdb -59.359248 2026-04-29 22:59:15 na-prot_18300.pdb -58.860363 2026-04-29 22:59:54 na-prot_18400.pdb -55.500305 2026-04-29 23:00:33 na-prot_18500.pdb -39.314921 2026-04-29 23:01:12 na-prot_18600.pdb -42.086885 2026-04-29 23:01:51 na-prot_18700.pdb -58.830306 2026-04-29 23:02:31 na-prot_18800.pdb -56.585648 2026-04-29 23:03:10 na-prot_18900.pdb -63.743059 2026-04-29 23:03:49 na-prot_19000.pdb -65.916568 2026-04-29 23:04:28 na-prot_19100.pdb -44.363887 2026-04-29 23:05:07 na-prot_19200.pdb -48.622871 2026-04-29 23:05:46 na-prot_19300.pdb -46.206355 2026-04-29 23:06:26 na-prot_19400.pdb -40.070444 2026-04-29 23:07:05 na-prot_19500.pdb -48.696569 2026-04-29 23:07:44 na-prot_19600.pdb -58.174400 2026-04-29 23:08:24 na-prot_19700.pdb -52.418851 2026-04-29 23:09:03 na-prot_19800.pdb -68.192391 2026-04-29 23:09:42 na-prot_19900.pdb -57.021384 2026-04-29 23:10:21 na-prot_20000.pdb -57.862692 2026-04-29 23:10:21 QDV-DNP (meta-scoring) starts 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_94.pdb -1.85866864814 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_194.pdb -1.2947490886 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_294.pdb -2.1076469735 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_394.pdb -3.29902181173 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_494.pdb -1.96793276785 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_594.pdb -1.39262905992 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_694.pdb -1.16363118772 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_794.pdb -1.92183209669 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_894.pdb -2.48425745284 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_994.pdb -2.09971229931 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1100.pdb -0.418509322638 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1200.pdb -2.11637030449 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1300.pdb -1.20906642462 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1400.pdb -1.95959618578 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1500.pdb -1.64803182063 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1600.pdb -2.22819989456 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1700.pdb -1.14106649016 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1800.pdb -2.38819768221 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_1900.pdb -1.9487952704 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2000.pdb -0.396569934811 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2100.pdb -2.83715717467 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2200.pdb -3.06538250778 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2300.pdb -1.32299178979 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2400.pdb -0.861388963645 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2500.pdb -2.36791242689 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2600.pdb -1.30283015991 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2700.pdb -3.02010889562 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2800.pdb -1.49851278554 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_2900.pdb -1.83714193579 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3000.pdb -0.440979178318 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3100.pdb -2.06318749932 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3200.pdb -1.74081147232 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3300.pdb -1.9558037461 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3400.pdb -1.27680570641 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3500.pdb -1.09635878545 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3600.pdb -2.41628689847 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3700.pdb -2.86270574546 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3800.pdb -1.54517367388 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_3900.pdb -2.74025352653 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4000.pdb -1.54449108641 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4100.pdb -1.89560712395 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4200.pdb -1.03535742748 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4300.pdb -1.76297285265 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4400.pdb -1.89805723673 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4500.pdb -0.893093191592 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4600.pdb -1.67199651669 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4700.pdb -2.34901104788 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4800.pdb -1.3202787824 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_4900.pdb -2.31347403717 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5000.pdb -0.976486818081 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5100.pdb -1.64299256493 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5200.pdb -0.0852396223656 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5300.pdb -2.05706840692 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5400.pdb -0.703310961977 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5500.pdb -2.97973759205 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5600.pdb -1.76749324009 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5700.pdb -2.70981015887 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5800.pdb -3.80194160863 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_5900.pdb -1.4576840765 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6000.pdb -2.33665048411 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6100.pdb -1.31596639564 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6200.pdb -1.92116047732 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6300.pdb -1.51836491999 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6400.pdb -2.93687841221 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6500.pdb -1.33062706392 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6600.pdb -1.69587334225 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6700.pdb -2.51852850418 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6800.pdb -0.826650281652 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_6900.pdb -0.858448260749 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7000.pdb -0.775566650059 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7100.pdb -1.54818822177 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7200.pdb -1.85611208524 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7300.pdb -0.79210262661 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7400.pdb -1.1951407091 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7500.pdb -2.79677141106 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7600.pdb -0.33318432083 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7700.pdb -1.3487149827 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7800.pdb -2.94804336157 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_7900.pdb -0.710982986986 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8000.pdb -1.4091026876 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8100.pdb -1.28615395924 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8200.pdb -1.18793007469 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8300.pdb -1.8283131244 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8400.pdb -3.07634682509 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8500.pdb -1.9585210394 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8600.pdb -4.81485384625 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8700.pdb -1.64096295436 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8800.pdb -1.50765473747 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_8900.pdb -1.29305086969 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9000.pdb -0.990725266368 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9100.pdb -1.55788171543 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9200.pdb -1.26639823571 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9300.pdb -1.70511715176 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9400.pdb -0.0502734792612 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9500.pdb -2.13397142206 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9600.pdb -1.31881035821 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9700.pdb -2.15388905554 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9800.pdb -0.819466035081 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_9900.pdb -4.22752626901 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10000.pdb -2.67142988498 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10100.pdb -0.962646406634 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10200.pdb -1.02614413729 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10300.pdb -1.40031707045 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10400.pdb -0.701140248778 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10500.pdb -2.13049136283 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10600.pdb -1.30791574247 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10700.pdb -0.848708788963 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10800.pdb -2.84336074545 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_10900.pdb -0.915977553262 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11000.pdb -1.09983919314 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11100.pdb -1.01536540211 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11200.pdb -1.90483202782 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11300.pdb -2.0665673321 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11400.pdb -0.654554385702 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11500.pdb -0.245857950776 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11600.pdb -1.93038554102 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11700.pdb -2.10568039136 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11800.pdb -0.369925777365 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_11900.pdb -0.874732171715 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12000.pdb -0.717143910478 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12100.pdb -1.92772353558 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12200.pdb -0.576778835036 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12300.pdb -1.14503250341 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12400.pdb -2.01477961082 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12500.pdb -4.80127390335 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12600.pdb -1.82164917599 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12700.pdb -2.16047433269 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12800.pdb -0.797660477614 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_12900.pdb -0.854762983168 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13000.pdb -1.69200762813 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13100.pdb -2.0150251572 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13200.pdb -1.24528358762 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13300.pdb -1.87324775758 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13400.pdb -2.24646002212 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13500.pdb -0.694437772432 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13600.pdb -1.90132578237 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13700.pdb -1.11144009913 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13800.pdb -1.8710389181 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_13900.pdb -2.5935345856 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14000.pdb -2.25390187588 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14100.pdb -3.39295191101 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14200.pdb -0.664072241873 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14300.pdb -1.23746971859 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14400.pdb -1.24605399701 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14500.pdb -2.7088516808 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14600.pdb -1.57039767382 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14700.pdb -0.250753934981 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14800.pdb -1.31078564284 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_14900.pdb -2.38052755535 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15000.pdb -0.37978363248 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15100.pdb -0.774238196741 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15200.pdb -1.494645433 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15300.pdb -2.40238115733 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15400.pdb -0.621081245769 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15500.pdb -0.95082183159 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15600.pdb -1.3506823562 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15700.pdb -0.918322668025 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15800.pdb -0.477706622223 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_15900.pdb -0.586951687693 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16000.pdb -1.37229049251 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16100.pdb -0.321113077135 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16200.pdb -1.08677048617 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16300.pdb -0.21702788552 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16400.pdb -2.01939127437 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16500.pdb -1.77001445119 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16600.pdb -1.40532940056 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16700.pdb -2.54453866932 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16800.pdb -1.38521047044 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16900.pdb -1.86872622261 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17000.pdb -0.742245824566 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17100.pdb -1.35805383746 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17200.pdb -0.740821103382 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17300.pdb 0.0771289425596 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17400.pdb -0.780648665756 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17500.pdb -0.694044188152 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17600.pdb -1.19731201314 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17700.pdb -1.60830577497 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17800.pdb -1.06527756076 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_17900.pdb -0.935651292359 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18000.pdb -1.86537010712 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18100.pdb -2.27651813931 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18200.pdb -2.20340112792 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18300.pdb -2.02240257752 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18400.pdb -1.63851788296 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18500.pdb -0.606805148905 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18600.pdb -0.463945205089 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18700.pdb -1.84155912264 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18800.pdb -1.63416681336 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_18900.pdb -2.1869450341 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19000.pdb -1.97769457767 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19100.pdb -0.449948278248 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19200.pdb -0.894297596702 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19300.pdb -0.924204949665 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19400.pdb -0.368549996419 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19500.pdb -0.892964151267 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19600.pdb -1.42491949335 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19700.pdb -1.59640201753 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19800.pdb -2.59551740928 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19900.pdb -1.39376840489 2026-04-29 23:10:21 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_20000.pdb -1.50001296911 2026-04-29 23:10:21 [..]4675523) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19994.pdb', -0.4970372149809135) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19995.pdb', -0.1518456755083275) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19996.pdb', -0.30912076324047627) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19997.pdb', -1.431502801923842) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19998.pdb', -4.082856641252586) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_19999.pdb', -0.9886619034631772) ('/home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_20000.pdb', -1.5000129691118032) 16943.92user 1023.62system 5:01:43elapsed 99%CPU (0avgtext+0avgdata 225656maxresident)k 4169240inputs+11525168outputs (46major+194023315minor)pagefaults 0swaps 2026-04-29 23:10:21 Clustering (cuttoff: 5, nr_clust: 100 ) in progress... 2026-04-29 23:10:21 time python /home/rpdock/run_gramm//clustering_v4.py dars_out.txt list.txt 5 100 2026-04-29 23:10:21 100 best scored structures 2026-04-29 23:10:22 1 na-prot_16145.pdb -6.29875167028 2026-04-29 23:10:22 2 na-prot_17199.pdb -6.20142023235 2026-04-29 23:10:22 3 na-prot_4313.pdb -6.05202075327 2026-04-29 23:10:22 4 na-prot_7282.pdb -6.02392001126 2026-04-29 23:10:22 5 na-prot_1026.pdb -5.88500651706 2026-04-29 23:10:22 6 na-prot_17253.pdb -5.78646694408 2026-04-29 23:10:22 7 na-prot_2116.pdb -5.72469057235 2026-04-29 23:10:22 8 na-prot_101.pdb -5.66001001286 2026-04-29 23:10:22 9 na-prot_387.pdb -5.63126700255 2026-04-29 23:10:22 10 na-prot_11251.pdb -5.6068525813 2026-04-29 23:10:22 11 na-prot_1149.pdb -5.60606683677 2026-04-29 23:10:22 12 na-prot_354.pdb -5.537478607 2026-04-29 23:10:22 13 na-prot_28.pdb -5.50679694302 2026-04-29 23:10:22 14 na-prot_9015.pdb -5.48382581361 2026-04-29 23:10:22 15 na-prot_358.pdb -5.44691716714 2026-04-29 23:10:22 16 na-prot_2182.pdb -5.37986713113 2026-04-29 23:10:22 17 na-prot_2023.pdb -5.36673878361 2026-04-29 23:10:22 18 na-prot_12198.pdb -5.36505898542 2026-04-29 23:10:22 19 na-prot_1399.pdb -5.35016976995 2026-04-29 23:10:22 20 na-prot_7775.pdb -5.31727200966 2026-04-29 23:10:22 21 na-prot_11829.pdb -5.31409894035 2026-04-29 23:10:22 22 na-prot_656.pdb -5.30906409699 2026-04-29 23:10:22 23 na-prot_8694.pdb -5.29988977033 2026-04-29 23:10:22 24 na-prot_8976.pdb -5.28621406075 2026-04-29 23:10:22 25 na-prot_9914.pdb -5.27089964851 2026-04-29 23:10:22 26 na-prot_11170.pdb -5.25730226369 2026-04-29 23:10:22 27 na-prot_8193.pdb -5.24086573281 2026-04-29 23:10:22 28 na-prot_17121.pdb -5.23634012005 2026-04-29 23:10:22 29 na-prot_4991.pdb -5.22674724673 2026-04-29 23:10:22 30 na-prot_11911.pdb -5.17838645991 2026-04-29 23:10:22 31 na-prot_10582.pdb -5.14672066576 2026-04-29 23:10:22 32 na-prot_941.pdb -5.14324411827 2026-04-29 23:10:22 33 na-prot_2524.pdb -5.12422377198 2026-04-29 23:10:22 34 na-prot_11823.pdb -5.11819272198 2026-04-29 23:10:22 35 na-prot_13808.pdb -5.11807316848 2026-04-29 23:10:22 36 na-prot_14574.pdb -5.11501032998 2026-04-29 23:10:22 37 na-prot_15458.pdb -5.11424349495 2026-04-29 23:10:22 38 na-prot_10976.pdb -5.11246457596 2026-04-29 23:10:22 39 na-prot_397.pdb -5.10936183213 2026-04-29 23:10:22 40 na-prot_3505.pdb -5.10757126644 2026-04-29 23:10:22 41 na-prot_951.pdb -5.09751970059 2026-04-29 23:10:22 42 na-prot_6.pdb -5.08790053363 2026-04-29 23:10:22 43 na-prot_8277.pdb -5.08774254238 2026-04-29 23:10:22 44 na-prot_1824.pdb -5.0844399661 2026-04-29 23:10:22 45 na-prot_3474.pdb -5.06804902539 2026-04-29 23:10:22 46 na-prot_20.pdb -5.04408373843 2026-04-29 23:10:22 47 na-prot_8925.pdb -5.03849642316 2026-04-29 23:10:22 48 na-prot_1559.pdb -5.03112985014 2026-04-29 23:10:22 49 na-prot_291.pdb -5.03074711849 2026-04-29 23:10:22 50 na-prot_1036.pdb -5.00350457262 2026-04-29 23:10:22 51 na-prot_9114.pdb -4.99818379738 2026-04-29 23:10:22 52 na-prot_148.pdb -4.9968670757 2026-04-29 23:10:22 53 na-prot_14059.pdb -4.99183862761 2026-04-29 23:10:22 54 na-prot_10381.pdb -4.98289572976 2026-04-29 23:10:22 55 na-prot_5.pdb -4.98063554 2026-04-29 23:10:22 56 na-prot_1393.pdb -4.9701561177 2026-04-29 23:10:22 57 na-prot_7133.pdb -4.96323701653 2026-04-29 23:10:22 58 na-prot_6754.pdb -4.95765615288 2026-04-29 23:10:22 59 na-prot_10104.pdb -4.95719355729 2026-04-29 23:10:22 60 na-prot_224.pdb -4.94317566204 2026-04-29 23:10:22 61 na-prot_8929.pdb -4.94041340911 2026-04-29 23:10:22 62 na-prot_17552.pdb -4.94004432783 2026-04-29 23:10:22 63 na-prot_1308.pdb -4.9389764089 2026-04-29 23:10:22 64 na-prot_4546.pdb -4.93747710039 2026-04-29 23:10:22 65 na-prot_16829.pdb -4.93612968671 2026-04-29 23:10:22 66 na-prot_5164.pdb -4.92049649006 2026-04-29 23:10:22 67 na-prot_1152.pdb -4.91668331612 2026-04-29 23:10:22 68 na-prot_10594.pdb -4.90501060789 2026-04-29 23:10:22 69 na-prot_17194.pdb -4.90013480063 2026-04-29 23:10:22 70 na-prot_7322.pdb -4.88387403638 2026-04-29 23:10:22 71 na-prot_10034.pdb -4.8824846018 2026-04-29 23:10:22 72 na-prot_19254.pdb -4.88079740116 2026-04-29 23:10:22 73 na-prot_33.pdb -4.87117070921 2026-04-29 23:10:22 74 na-prot_11904.pdb -4.86502649044 2026-04-29 23:10:22 75 na-prot_8764.pdb -4.85869443758 2026-04-29 23:10:22 76 na-prot_8173.pdb -4.85266905438 2026-04-29 23:10:22 77 na-prot_2191.pdb -4.8471266374 2026-04-29 23:10:22 78 na-prot_10449.pdb -4.84321315336 2026-04-29 23:10:22 79 na-prot_924.pdb -4.84250727372 2026-04-29 23:10:22 80 na-prot_1725.pdb -4.8401798804 2026-04-29 23:10:22 81 na-prot_8931.pdb -4.83889876926 2026-04-29 23:10:22 82 na-prot_10599.pdb -4.83473195178 2026-04-29 23:10:22 83 na-prot_1891.pdb -4.8323099187 2026-04-29 23:10:22 84 na-prot_10001.pdb -4.82616384556 2026-04-29 23:10:22 85 na-prot_12337.pdb -4.82557827645 2026-04-29 23:10:22 86 na-prot_10774.pdb -4.81712775268 2026-04-29 23:10:22 87 na-prot_8600.pdb -4.81485384625 2026-04-29 23:10:22 88 na-prot_569.pdb -4.81068610214 2026-04-29 23:10:22 89 na-prot_711.pdb -4.80142034865 2026-04-29 23:10:22 90 na-prot_12500.pdb -4.80127390335 2026-04-29 23:10:22 91 na-prot_8007.pdb -4.80095606727 2026-04-29 23:10:22 92 na-prot_9946.pdb -4.79973248275 2026-04-29 23:10:22 93 na-prot_7.pdb -4.7965793549 2026-04-29 23:10:22 94 na-prot_619.pdb -4.78923630831 2026-04-29 23:10:22 95 na-prot_12439.pdb -4.78814507024 2026-04-29 23:10:22 96 na-prot_11544.pdb -4.78471027512 2026-04-29 23:10:22 97 na-prot_5389.pdb -4.77281375844 2026-04-29 23:10:22 98 na-prot_15968.pdb -4.77210878279 2026-04-29 23:10:22 99 na-prot_13283.pdb -4.75488526508 2026-04-29 23:10:22 100 na-prot_2215.pdb -4.74928800716 2026-04-29 23:10:22 Chains: A 2026-04-29 23:10:45 100 best scored structures 2026-04-29 23:10:45 GRAMM analysis selected for further analysis: prot-na_10 2026-04-29 23:10:45 Cluster #1 with 100 structures 2026-04-29 23:10:45 1 na-prot_16145.pdb -6.29875167028 2026-04-29 23:10:45 2 na-prot_17199.pdb -6.20142023235 2026-04-29 23:10:45 3 na-prot_4313.pdb -6.05202075327 2026-04-29 23:10:45 4 na-prot_7282.pdb -6.02392001126 2026-04-29 23:10:45 5 na-prot_1026.pdb -5.88500651706 2026-04-29 23:10:45 6 na-prot_17253.pdb -5.78646694408 2026-04-29 23:10:45 7 na-prot_2116.pdb -5.72469057235 2026-04-29 23:10:45 8 na-prot_101.pdb -5.66001001286 2026-04-29 23:10:45 9 na-prot_387.pdb -5.63126700255 2026-04-29 23:10:45 10 na-prot_11251.pdb -5.6068525813 2026-04-29 23:10:45 11 na-prot_1149.pdb -5.60606683677 2026-04-29 23:10:45 12 na-prot_354.pdb -5.537478607 2026-04-29 23:10:45 13 na-prot_28.pdb -5.50679694302 2026-04-29 23:10:45 14 na-prot_9015.pdb -5.48382581361 2026-04-29 23:10:45 15 na-prot_358.pdb -5.44691716714 2026-04-29 23:10:45 16 na-prot_2182.pdb -5.37986713113 2026-04-29 23:10:45 17 na-prot_2023.pdb -5.36673878361 2026-04-29 23:10:45 18 na-prot_12198.pdb -5.36505898542 2026-04-29 23:10:45 19 na-prot_1399.pdb -5.35016976995 2026-04-29 23:10:45 20 na-prot_7775.pdb -5.31727200966 2026-04-29 23:10:45 21 na-prot_11829.pdb -5.31409894035 2026-04-29 23:10:45 22 na-prot_656.pdb -5.30906409699 2026-04-29 23:10:45 23 na-prot_8694.pdb -5.29988977033 2026-04-29 23:10:45 24 na-prot_8976.pdb -5.28621406075 2026-04-29 23:10:45 25 na-prot_9914.pdb -5.27089964851 2026-04-29 23:10:45 26 na-prot_11170.pdb -5.25730226369 2026-04-29 23:10:45 27 na-prot_8193.pdb -5.24086573281 2026-04-29 23:10:45 28 na-prot_17121.pdb -5.23634012005 2026-04-29 23:10:45 29 na-prot_4991.pdb -5.22674724673 2026-04-29 23:10:45 30 na-prot_11911.pdb -5.17838645991 2026-04-29 23:10:45 31 na-prot_10582.pdb -5.14672066576 2026-04-29 23:10:45 32 na-prot_941.pdb -5.14324411827 2026-04-29 23:10:45 33 na-prot_2524.pdb -5.12422377198 2026-04-29 23:10:45 34 na-prot_11823.pdb -5.11819272198 2026-04-29 23:10:45 35 na-prot_13808.pdb -5.11807316848 2026-04-29 23:10:45 36 na-prot_14574.pdb -5.11501032998 2026-04-29 23:10:45 37 na-prot_15458.pdb -5.11424349495 2026-04-29 23:10:45 38 na-prot_10976.pdb -5.11246457596 2026-04-29 23:10:45 39 na-prot_397.pdb -5.10936183213 2026-04-29 23:10:45 40 na-prot_3505.pdb -5.10757126644 2026-04-29 23:10:45 41 na-prot_951.pdb -5.09751970059 2026-04-29 23:10:45 42 na-prot_6.pdb -5.08790053363 2026-04-29 23:10:45 43 na-prot_8277.pdb -5.08774254238 2026-04-29 23:10:45 44 na-prot_1824.pdb -5.0844399661 2026-04-29 23:10:45 45 na-prot_3474.pdb -5.06804902539 2026-04-29 23:10:45 46 na-prot_20.pdb -5.04408373843 2026-04-29 23:10:45 47 na-prot_8925.pdb -5.03849642316 2026-04-29 23:10:45 48 na-prot_1559.pdb -5.03112985014 2026-04-29 23:10:45 49 na-prot_291.pdb -5.03074711849 2026-04-29 23:10:45 50 na-prot_1036.pdb -5.00350457262 2026-04-29 23:10:45 51 na-prot_9114.pdb -4.99818379738 2026-04-29 23:10:45 52 na-prot_148.pdb -4.9968670757 2026-04-29 23:10:45 53 na-prot_14059.pdb -4.99183862761 2026-04-29 23:10:45 54 na-prot_10381.pdb -4.98289572976 2026-04-29 23:10:45 55 na-prot_5.pdb -4.98063554 2026-04-29 23:10:45 56 na-prot_1393.pdb -4.9701561177 2026-04-29 23:10:45 57 na-prot_7133.pdb -4.96323701653 2026-04-29 23:10:45 58 na-prot_6754.pdb -4.95765615288 2026-04-29 23:10:45 59 na-prot_10104.pdb -4.95719355729 2026-04-29 23:10:45 60 na-prot_224.pdb -4.94317566204 2026-04-29 23:10:45 61 na-prot_8929.pdb -4.94041340911 2026-04-29 23:10:45 62 na-prot_17552.pdb -4.94004432783 2026-04-29 23:10:45 63 na-prot_1308.pdb -4.9389764089 2026-04-29 23:10:45 64 na-prot_4546.pdb -4.93747710039 2026-04-29 23:10:45 65 na-prot_16829.pdb -4.93612968671 2026-04-29 23:10:45 66 na-prot_5164.pdb -4.92049649006 2026-04-29 23:10:45 67 na-prot_1152.pdb -4.91668331612 2026-04-29 23:10:45 68 na-prot_10594.pdb -4.90501060789 2026-04-29 23:10:45 69 na-prot_17194.pdb -4.90013480063 2026-04-29 23:10:45 70 na-prot_7322.pdb -4.88387403638 2026-04-29 23:10:45 71 na-prot_10034.pdb -4.8824846018 2026-04-29 23:10:45 72 na-prot_19254.pdb -4.88079740116 2026-04-29 23:10:45 73 na-prot_33.pdb -4.87117070921 2026-04-29 23:10:45 74 na-prot_11904.pdb -4.86502649044 2026-04-29 23:10:45 75 na-prot_8764.pdb -4.85869443758 2026-04-29 23:10:45 76 na-prot_8173.pdb -4.85266905438 2026-04-29 23:10:45 77 na-prot_2191.pdb -4.8471266374 2026-04-29 23:10:45 78 na-prot_10449.pdb -4.84321315336 2026-04-29 23:10:45 79 na-prot_924.pdb -4.84250727372 2026-04-29 23:10:45 80 na-prot_1725.pdb -4.8401798804 2026-04-29 23:10:45 81 na-prot_8931.pdb -4.83889876926 2026-04-29 23:10:45 82 na-prot_10599.pdb -4.83473195178 2026-04-29 23:10:45 83 na-prot_1891.pdb -4.8323099187 2026-04-29 23:10:45 84 na-prot_10001.pdb -4.82616384556 2026-04-29 23:10:45 85 na-prot_12337.pdb -4.82557827645 2026-04-29 23:10:45 86 na-prot_10774.pdb -4.81712775268 2026-04-29 23:10:45 87 na-prot_8600.pdb -4.81485384625 2026-04-29 23:10:45 88 na-prot_569.pdb -4.81068610214 2026-04-29 23:10:45 89 na-prot_711.pdb -4.80142034865 2026-04-29 23:10:45 90 na-prot_12500.pdb -4.80127390335 2026-04-29 23:10:45 91 na-prot_8007.pdb -4.80095606727 2026-04-29 23:10:45 92 na-prot_9946.pdb -4.79973248275 2026-04-29 23:10:45 93 na-prot_7.pdb -4.7965793549 2026-04-29 23:10:45 94 na-prot_619.pdb -4.78923630831 2026-04-29 23:10:45 95 na-prot_12439.pdb -4.78814507024 2026-04-29 23:10:45 96 na-prot_11544.pdb -4.78471027512 2026-04-29 23:10:45 97 na-prot_5389.pdb -4.77281375844 2026-04-29 23:10:45 98 na-prot_15968.pdb -4.77210878279 2026-04-29 23:10:45 99 na-prot_13283.pdb -4.75488526508 2026-04-29 23:10:45 100 na-prot_2215.pdb -4.74928800716 2026-04-29 23:10:45 Sent to refinement: clusters_found|na-prot_16145.pdb 2026-04-29 23:10:45 Sent to refinement: clusters_found|na-prot_16145.pdb 2026-04-29 23:10:45 DARS clustering end 2026-04-29 23:10:45 MC (refinement) init 2026-04-29 23:10:45 python /home/rpdock/run_gramm//run_mc.py -f dars_to_mc.txt -d /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/ 2026-04-29 23:10:45 Refinement of #1 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/na-prot_16145.pdb 2026-04-29 23:10:46 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb 2026-04-29 23:16:10 start - parameters: File name /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue DC1 in the chain A has not P atom Missed atom CG in the LYS 94 Missed atom CD in the LYS 94 Missed atom CE in the LYS 94 Missed atom NZ in the LYS 94 Missed atom CG in the LYS 97 Missed atom CD in the LYS 97 Missed atom CE in the LYS 97 Missed atom NZ in the LYS 97 Missed atom OG in the SER 99 Missed atom CG in the LYS 103 Missed atom CD in the LYS 103 Missed atom CE in the LYS 103 Missed atom NZ in the LYS 103 Missed atom CG in the LYS 136 Missed atom CD in the LYS 136 Missed atom CE in the LYS 136 Missed atom NZ in the LYS 136 Missed atom CG in the LYS 137 Missed atom CD in the LYS 137 Missed atom CE in the LYS 137 Missed atom NZ in the LYS 137 Missed atom CG in the GLU 145 Missed atom CD in the GLU 145 Missed atom OE1 in the GLU 145 Missed atom OE2 in the GLU 145 Missed atom CG in the ARG 174 Missed atom CD in the ARG 174 Missed atom NE in the ARG 174 Missed atom CZ in the ARG 174 Missed atom NH1 in the ARG 174 Missed atom NH2 in the ARG 174 Missed atom CG in the ARG 188 Missed atom CD in the ARG 188 Missed atom NE in the ARG 188 Missed atom CZ in the ARG 188 Missed atom NH1 in the ARG 188 Missed atom NH2 in the ARG 188 Missed atom CG in the GLN 190 Missed atom CD in the GLN 190 Missed atom OE1 in the GLN 190 Missed atom NE2 in the GLN 190 Missed atom CG in the LYS 191 Missed atom CD in the LYS 191 Missed atom CE in the LYS 191 Missed atom NZ in the LYS 191 0 - -479169.22 -825427.56 -213741.66 560000.00 1 T -460643.23 -865033.84 -235609.39 640000.00 T= 14911.77 K progress 0.1 2 R -447706.46 -881290.86 -246415.60 680000.00 T= 14867.655 K progress 0.2 3 R -433730.64 -870653.42 -243077.23 680000.00 T= 14838.245 K progress 0.3 4 R -312528.91 -860086.63 -252442.28 800000.00 T= 14823.54 K progress 0.4 5 T -316759.95 -860207.43 -256552.52 800000.00 T= 14808.835 K progress 0.5 6 T -274209.26 -906754.46 -247454.81 880000.00 T= 14794.13 K progress 0.6 7 T -231876.31 -779936.37 -211939.93 760000.00 T= 14764.72 K progress 0.7 8 T -311302.71 -715180.24 -196122.47 600000.00 T= 14750.015 K progress 0.8 9 R -368131.96 -686182.09 -201949.87 520000.00 T= 14735.31 K progress 0.9 10 T -12046.39 -499477.78 -152568.61 640000.00 T= 14720.605 K progress 1.0 11 R -182651.93 -583363.94 -159287.98 560000.00 T= 14705.9 K progress 1.1 12 T -275780.38 -571721.73 -184058.65 480000.00 T= 14691.195 K progress 1.2 13 R -278028.95 -574027.41 -184001.54 480000.00 T= 14676.49 K progress 1.3 14 R -295207.28 -585913.38 -189293.90 480000.00 T= 14661.785 K progress 1.4 15 T -258329.61 -561887.13 -176442.48 480000.00 T= 14632.375 K progress 1.5 16 R -308524.31 -616409.92 -172114.38 480000.00 T= 14588.26 K progress 1.6 17 T -271530.37 -627171.16 -164359.20 520000.00 T= 14573.555 K progress 1.7 18 R -289292.11 -641646.86 -167645.25 520000.00 T= 14558.85 K progress 1.8 19 R -440604.79 -751433.37 -209171.41 520000.00 T= 14544.145 K progress 1.9 20 T -498206.27 -774223.53 -203982.74 480000.00 T= 14500.03 K progress 2.0 21 R -497863.30 -773847.26 -204016.04 480000.00 T= 14485.325 K progress 2.1 22 T -459971.44 -676919.88 -183051.57 400000.00 T= 14411.8 K progress 2.2 23 R -239074.87 -606885.18 -192189.69 560000.00 T= 14397.095 K progress 2.3 24 R -360638.26 -575680.33 -184957.93 400000.00 T= 14382.39 K progress 2.4 25 R -338311.42 -643741.87 -214569.56 520000.00 T= 14308.865 K progress 2.5 26 R -260901.45 -544669.46 -156231.99 440000.00 T= 14294.16 K progress 2.6 27 T -311147.81 -544380.54 -166767.27 400000.00 T= 14250.045 K progress 2.7 28 R -371933.58 -710186.71 -181746.87 520000.00 T= 14205.93 K progress 2.8 29 T -310379.46 -683237.08 -187142.38 560000.00 T= 14161.815 K progress 2.9 30 R -309975.47 -682928.22 -187047.25 560000.00 T= 14147.11 K progress 3.0 31 R -328636.25 -698583.78 -190052.47 560000.00 T= 14132.405 K progress 3.1 32 T -410447.98 -656162.14 -194285.83 440000.00 T= 14102.995 K progress 3.2 33 T -458355.82 -606529.02 -171826.80 320000.00 T= 14073.585 K progress 3.3 34 R -536111.53 -667736.91 -188374.62 320000.00 T= 14044.175 K progress 3.4 35 R -446611.64 -701084.77 -225526.87 480000.00 T= 14000.06 K progress 3.5 36 R -586434.17 -714656.92 -191777.25 320000.00 T= 13985.355 K progress 3.6 37 R -609109.01 -701551.39 -187557.62 280000.00 T= 13970.65 K progress 3.7 38 T -666901.19 -766733.05 -220168.14 320000.00 T= 13955.945 K progress 3.8 39 T -572066.75 -739691.36 -192375.39 360000.00 T= 13882.42 K progress 3.9 40 T -642931.49 -765075.66 -197855.83 320000.00 T= 13867.715 K progress 4.0 41 R -514502.48 -674163.25 -200339.23 360000.00 T= 13853.01 K progress 4.1 42 T -637522.32 -747248.03 -210274.29 320000.00 T= 13838.305 K progress 4.2 43 T -546182.39 -701329.04 -204853.34 360000.00 T= 13808.895 K progress 4.3 44 R -228148.05 -572585.31 -175562.74 520000.00 T= 13794.19 K progress 4.4 45 R -448248.50 -624092.83 -184155.68 360000.00 T= 13779.485 K progress 4.5 46 T -401257.85 -622104.86 -179153.00 400000.00 T= 13764.78 K progress 4.6 47 R -571633.28 -731260.72 -200372.57 360000.00 T= 13750.075 K progress 4.7 48 T -289533.06 -735919.65 -193613.41 640000.00 T= 13735.37 K progress 4.8 49 R -271857.35 -639987.17 -191870.18 560000.00 T= 13720.665 K progress 4.9 50 R -446114.34 -724903.91 -201210.43 480000.00 T= 13705.96 K progress 5.0 51 R -293260.83 -736302.04 -196958.79 640000.00 T= 13603.025 K progress 5.1 52 T -445062.49 -599599.61 -165462.88 320000.00 T= 13588.32 K progress 5.2 53 T -581760.81 -676006.37 -185754.44 280000.00 T= 13573.615 K progress 5.3 54 R -496340.31 -679301.72 -177038.58 360000.00 T= 13558.91 K progress 5.4 55 T -592508.32 -752967.66 -199540.66 360000.00 T= 13529.5 K progress 5.5 56 R -564484.92 -681090.52 -203394.40 320000.00 T= 13500.09 K progress 5.6 57 R -592203.68 -719766.88 -192436.81 320000.00 T= 13485.385 K progress 5.7 58 R -625903.35 -771584.18 -214319.18 360000.00 T= 13470.68 K progress 5.8 59 R -625963.53 -771584.18 -214379.36 360000.00 T= 13426.565 K progress 5.9 60 T -561205.20 -687354.94 -193850.26 320000.00 T= 13411.86 K progress 6.0 61 T -565940.74 -723802.26 -202138.48 360000.00 T= 13397.155 K progress 6.1 62 T -395678.75 -680197.97 -195480.77 480000.00 T= 13382.45 K progress 6.2 63 R -386341.18 -563259.81 -183081.36 360000.00 T= 13367.745 K progress 6.3 64 T -503097.39 -657627.99 -205469.39 360000.00 T= 13353.04 K progress 6.4 65 R -439515.06 -710294.74 -209220.32 480000.00 T= 13323.63 K progress 6.5 66 T -486557.95 -666751.96 -179805.99 360000.00 T= 13308.925 K progress 6.6 67 T -419542.67 -767544.80 -211997.88 560000.00 T= 13294.22 K progress 6.7 68 T -424340.35 -622713.29 -161627.06 360000.00 T= 13279.515 K progress 6.8 69 T -257780.03 -673761.19 -184018.84 600000.00 T= 13250.105 K progress 6.9 70 T -76113.21 -669815.14 -166298.08 760000.00 T= 13235.4 K progress 7.0 71 R -163634.26 -616694.74 -146939.52 600000.00 T= 13205.99 K progress 7.1 72 T -238291.40 -787594.88 -210696.53 760000.00 T= 13147.17 K progress 7.2 73 R -214973.14 -771437.55 -203535.59 760000.00 T= 13132.465 K progress 7.3 74 T -476426.47 -719049.00 -197377.47 440000.00 T= 13103.055 K progress 7.4 75 T -423961.29 -743290.76 -200670.53 520000.00 T= 13088.35 K progress 7.5 76 T -500496.60 -713851.58 -186645.01 400000.00 T= 13044.235 K progress 7.6 77 R -459309.53 -751717.25 -187592.28 480000.00 T= 13029.53 K progress 7.7 78 T -437252.17 -699052.32 -178199.84 440000.00 T= 13014.825 K progress 7.8 79 R -561204.07 -741723.49 -179480.58 360000.00 T= 13000.12 K progress 7.9 80 R -511360.15 -699304.90 -172055.25 360000.00 T= 12985.415 K progress 8.0 81 T -432744.89 -765784.83 -186960.06 520000.00 T= 12970.71 K progress 8.1 82 R -373106.23 -654456.08 -198650.15 480000.00 T= 12926.595 K progress 8.2 83 R -454219.05 -695757.08 -198461.97 440000.00 T= 12911.89 K progress 8.3 84 T -462220.45 -690361.91 -211858.54 440000.00 T= 12867.775 K progress 8.4 85 R -506923.14 -701468.59 -205454.55 400000.00 T= 12750.135 K progress 8.5 86 R -311051.81 -668181.29 -202870.53 560000.00 T= 12706.02 K progress 8.6 87 T -453544.50 -648061.77 -165482.73 360000.00 T= 12691.315 K progress 8.7 88 T -410421.42 -632061.04 -178360.38 400000.00 T= 12661.905 K progress 8.8 89 T -376700.47 -650710.54 -205989.93 480000.00 T= 12647.2 K progress 8.9 90 T -396935.16 -670015.71 -166919.45 440000.00 T= 12603.085 K progress 9.0 91 T -369790.87 -738945.63 -190845.24 560000.00 T= 12544.265 K progress 9.1 92 T -603276.15 -757356.13 -205920.02 360000.00 T= 12529.56 K progress 9.2 93 R -512487.35 -827463.74 -205023.61 520000.00 T= 12500.15 K progress 9.3 94 R -400943.82 -898340.27 -222603.55 720000.00 T= 12485.445 K progress 9.4 95 R -481546.05 -911876.20 -249669.84 680000.00 T= 12426.625 K progress 9.5 96 R -518739.03 -797802.35 -200936.69 480000.00 T= 12382.51 K progress 9.6 97 T -544533.78 -858509.97 -206023.82 520000.00 T= 12367.805 K progress 9.7 98 T -662672.74 -925562.72 -257110.02 520000.00 T= 12353.1 K progress 9.8 99 R -534731.77 -800293.03 -214438.74 480000.00 T= 12308.985 K progress 9.9 100 R -507541.80 -844007.15 -223534.64 560000.00 T= 12294.28 K progress 10.0 101 R -549064.32 -845516.27 -223548.05 520000.00 T= 12279.575 K progress 10.1 102 T -464504.49 -811284.57 -213219.92 560000.00 T= 12235.46 K progress 10.2 103 T -565471.02 -769308.26 -196162.76 400000.00 T= 12191.345 K progress 10.3 104 T -575984.18 -788465.04 -187519.14 400000.00 T= 12132.525 K progress 10.4 105 R -605837.35 -809519.93 -196317.42 400000.00 T= 12088.41 K progress 10.5 106 T -394927.69 -856629.11 -258298.57 720000.00 T= 12073.705 K progress 10.6 107 T -356813.54 -789225.57 -207587.97 640000.00 T= 12044.295 K progress 10.7 108 R -555883.30 -850561.86 -225321.43 520000.00 T= 12029.59 K progress 10.8 109 T -529282.72 -862424.64 -226858.07 560000.00 T= 12000.18 K progress 10.9 110 T -531085.48 -855112.49 -235972.99 560000.00 T= 11985.475 K progress 11.0 111 R -463916.38 -842971.76 -220944.62 600000.00 T= 11926.655 K progress 11.1 112 T -461950.82 -800662.94 -221287.88 560000.00 T= 11911.95 K progress 11.2 113 R -566865.40 -820776.40 -226089.00 480000.00 T= 11882.54 K progress 11.3 114 T -457981.97 -811015.27 -206966.70 560000.00 T= 11853.13 K progress 11.4 115 T -585348.56 -779462.16 -205886.40 400000.00 T= 11838.425 K progress 11.5 116 T -484288.83 -636548.56 -167740.27 320000.00 T= 11809.015 K progress 11.6 117 T -488180.71 -617176.06 -151004.65 280000.00 T= 11764.9 K progress 11.7 118 T -558400.39 -751111.40 -207288.99 400000.00 T= 11750.195 K progress 11.8 119 R -586710.09 -808618.89 -218091.20 440000.00 T= 11735.49 K progress 11.9 120 T -715194.83 -850483.49 -224711.34 360000.00 T= 11720.785 K progress 12.0 121 T -645093.26 -759574.20 -205519.06 320000.00 T= 11661.965 K progress 12.1 122 R -656993.78 -776867.98 -200125.80 320000.00 T= 11632.555 K progress 12.2 123 T -829428.16 -836286.53 -233141.63 240000.00 T= 11617.85 K progress 12.3 124 R -959041.78 -903333.10 -255708.68 200000.00 T= 11603.145 K progress 12.4 125 T -893687.88 -819324.79 -234363.09 160000.00 T= 11456.095 K progress 12.5 126 T -891061.17 -791817.64 -219243.54 120000.00 T= 11411.98 K progress 12.6 127 R -782511.63 -758072.54 -224439.09 200000.00 T= 11397.275 K progress 12.7 128 R -684257.92 -813265.17 -230992.75 360000.00 T= 11382.57 K progress 12.8 129 R -688787.09 -816523.44 -232263.65 360000.00 T= 11338.455 K progress 12.9 130 R -818451.77 -756918.58 -221533.19 160000.00 T= 11309.045 K progress 13.0 131 T -826520.10 -796414.88 -230105.22 200000.00 T= 11279.635 K progress 13.1 132 T -802758.76 -845260.53 -237498.23 280000.00 T= 11264.93 K progress 13.2 133 R -682671.22 -786742.87 -215928.35 320000.00 T= 11250.225 K progress 13.3 134 T -566262.38 -815911.99 -230350.39 480000.00 T= 11220.815 K progress 13.4 135 R -552064.32 -802396.28 -229668.05 480000.00 T= 11147.29 K progress 13.5 136 T -591790.88 -688682.60 -183108.28 280000.00 T= 11044.355 K progress 13.6 137 T -565190.09 -714326.18 -170863.91 320000.00 T= 10970.83 K progress 13.7 138 R -526849.12 -667138.06 -179711.06 320000.00 T= 10956.125 K progress 13.8 139 T -573856.94 -681363.29 -172493.65 280000.00 T= 10897.305 K progress 13.9 140 R -308585.16 -613320.65 -135264.52 440000.00 T= 10794.37 K progress 14.0 141 R -220137.11 -573194.43 -126942.69 480000.00 T= 10779.665 K progress 14.1 142 R -307257.36 -615337.37 -131919.99 440000.00 T= 10750.255 K progress 14.2 143 R -304369.06 -608175.95 -136193.11 440000.00 T= 10735.55 K progress 14.3 144 T -216341.47 -567064.68 -129276.79 480000.00 T= 10706.14 K progress 14.4 145 R -249379.75 -592542.69 -136837.06 480000.00 T= 10691.435 K progress 14.5 146 R 37113.57 -630611.83 -132274.60 800000.00 T= 10603.205 K progress 14.6 147 T 64915.86 -641032.84 -134051.30 840000.00 T= 10544.385 K progress 14.7 148 R 122104.06 -618270.94 -139625.00 880000.00 T= 10514.975 K progress 14.8 149 T 7542.79 -680691.13 -151766.08 840000.00 T= 10485.565 K progress 14.9 150 R 8385.48 -679954.17 -151660.35 840000.00 T= 10456.155 K progress 15.0 151 T -539121.06 -771235.45 -167885.61 400000.00 T= 10441.45 K progress 15.1 152 R -544335.60 -773612.32 -170723.28 400000.00 T= 10412.04 K progress 15.2 153 T -403678.06 -698902.78 -144775.28 440000.00 T= 10279.695 K progress 15.3 154 R -562902.92 -681972.34 -160930.59 280000.00 T= 10250.285 K progress 15.4 155 T -442469.60 -693946.07 -148523.53 400000.00 T= 10206.17 K progress 15.5 156 T -477633.11 -622671.54 -134961.57 280000.00 T= 10132.645 K progress 15.6 157 T -509440.77 -615319.93 -134120.84 240000.00 T= 10117.94 K progress 15.7 158 R -510964.10 -617015.82 -133948.29 240000.00 T= 10073.825 K progress 15.8 159 R 98712.35 -510619.38 -110668.27 720000.00 T= 9956.185 K progress 15.9 160 T 11773.40 -508008.47 -120218.13 640000.00 T= 9926.775 K progress 16.0 161 R 34549.00 -492413.20 -113037.79 640000.00 T= 9897.365 K progress 16.1 162 R -57515.70 -490577.69 -126938.02 560000.00 T= 9853.25 K progress 16.2 163 R -112091.63 -635502.39 -156589.24 680000.00 T= 9823.84 K progress 16.3 164 R -180374.13 -628526.57 -151847.56 600000.00 T= 9809.135 K progress 16.4 165 R -99551.18 -579044.39 -120506.79 600000.00 T= 9750.315 K progress 16.5 166 R -105141.24 -577924.75 -127216.49 600000.00 T= 9720.905 K progress 16.6 167 T -293557.33 -675951.76 -177605.57 560000.00 T= 9706.2 K progress 16.7 168 T -508440.89 -639498.53 -148942.36 280000.00 T= 9691.495 K progress 16.8 169 T -492070.61 -626038.29 -146032.31 280000.00 T= 9676.79 K progress 16.9 170 R -491934.01 -625961.15 -145972.85 280000.00 T= 9544.445 K progress 17.0 171 T -656949.93 -742352.34 -194597.59 280000.00 T= 9515.035 K progress 17.1 172 R -519820.41 -693284.37 -186536.04 360000.00 T= 9500.33 K progress 17.2 173 T -586124.75 -734302.56 -211822.19 360000.00 T= 9456.215 K progress 17.3 174 R -626428.42 -755191.55 -191236.86 320000.00 T= 9441.51 K progress 17.4 175 T -630953.83 -762956.57 -187997.26 320000.00 T= 9353.28 K progress 17.5 176 R -673984.24 -759362.90 -194621.34 280000.00 T= 9220.935 K progress 17.6 177 R -669576.75 -756334.48 -193242.28 280000.00 T= 9191.525 K progress 17.7 178 T -469251.73 -819233.84 -210017.89 560000.00 T= 9132.705 K progress 17.8 179 R -627401.68 -765217.42 -182184.26 320000.00 T= 9118.0 K progress 17.9 180 T -626374.33 -792123.54 -194250.79 360000.00 T= 9073.885 K progress 18.0 181 T -655118.46 -756728.08 -178390.38 280000.00 T= 9015.065 K progress 18.1 182 T -809982.26 -815928.96 -194053.30 200000.00 T= 8956.245 K progress 18.2 183 R -761714.75 -806047.95 -195666.79 240000.00 T= 8868.015 K progress 18.3 184 T -748026.49 -787729.43 -200297.06 240000.00 T= 8794.49 K progress 18.4 185 T -711433.29 -820645.71 -210787.58 320000.00 T= 8706.26 K progress 18.5 186 R -736348.76 -780714.88 -195633.88 240000.00 T= 8691.555 K progress 18.6 187 R -729822.54 -774317.02 -195505.52 240000.00 T= 8603.325 K progress 18.7 188 T -780847.50 -785889.85 -194957.65 200000.00 T= 8470.98 K progress 18.8 189 T -681490.28 -737347.68 -184142.60 240000.00 T= 8456.275 K progress 18.9 190 R -746832.06 -760043.77 -226788.29 240000.00 T= 8441.57 K progress 19.0 191 R -703175.04 -715136.97 -188038.07 200000.00 T= 8220.995 K progress 19.1 192 R -644174.08 -747863.61 -216310.47 320000.00 T= 8206.29 K progress 19.2 193 R -507962.13 -815097.77 -212864.36 520000.00 T= 8191.585 K progress 19.3 194 T -612017.01 -781376.40 -190640.61 360000.00 T= 8176.88 K progress 19.4 195 T -601683.76 -766453.48 -195230.28 360000.00 T= 8103.355 K progress 19.5 196 R -800872.93 -796924.24 -203948.69 200000.00 T= 8073.945 K progress 19.6 197 T -805924.53 -798224.94 -207699.59 200000.00 T= 7794.55 K progress 19.7 198 T -846689.31 -749709.14 -216980.17 120000.00 T= 7779.845 K progress 19.8 199 T -670727.40 -826855.42 -203871.98 360000.00 T= 7750.435 K progress 19.9 200 R -689294.49 -764053.42 -205241.07 280000.00 T= 7735.73 K progress 20.0 Long traj 201 R -654060.81 -812535.46 -201525.36 360000.00 T= 7676.91 K progress 20.1 202 T -652267.41 -840711.84 -211555.58 400000.00 T= 7647.5 K progress 20.2 203 T -664774.05 -842121.99 -222652.06 400000.00 T= 7603.385 K progress 20.3 204 R -554485.79 -801365.91 -193119.88 440000.00 T= 7456.335 K progress 20.4 205 R -668332.76 -845488.03 -222844.72 400000.00 T= 7426.925 K progress 20.5 206 T -617711.80 -846144.51 -211567.30 440000.00 T= 7382.81 K progress 20.6 207 R -675348.74 -926337.30 -229011.43 480000.00 T= 7368.105 K progress 20.7 208 T -336071.05 -865711.58 -230359.48 760000.00 T= 7279.875 K progress 20.8 209 T -234726.91 -845579.59 -269147.32 880000.00 T= 7265.17 K progress 20.9 210 R -470458.57 -733334.08 -217124.49 480000.00 T= 7235.76 K progress 21.0 211 R -390311.79 -671842.32 -198469.47 480000.00 T= 7176.94 K progress 21.1 212 R -453149.86 -721956.84 -211193.02 480000.00 T= 7147.53 K progress 21.2 213 R -458778.43 -729666.65 -209111.79 480000.00 T= 7059.3 K progress 21.3 214 T -462063.51 -814071.46 -207992.05 560000.00 T= 6971.07 K progress 21.4 215 R -427880.02 -781377.24 -206502.77 560000.00 T= 6926.955 K progress 21.5 216 R -520313.66 -848474.64 -231839.02 560000.00 T= 6897.545 K progress 21.6 217 R -583105.45 -908422.83 -234682.61 560000.00 T= 6882.84 K progress 21.7 218 R -591794.03 -910669.64 -241124.39 560000.00 T= 6824.02 K progress 21.8 219 T -636349.76 -885818.89 -230530.87 480000.00 T= 6794.61 K progress 21.9 220 T -676782.95 -860937.82 -215845.13 400000.00 T= 6735.79 K progress 22.0 221 R -696079.56 -873170.74 -222908.82 400000.00 T= 6706.38 K progress 22.1 222 R -714917.47 -889099.28 -225818.19 400000.00 T= 6412.28 K progress 22.2 223 R -716597.05 -804535.61 -192061.44 280000.00 T= 6103.475 K progress 22.3 224 R -743891.78 -847551.22 -216340.55 320000.00 T= 6074.065 K progress 22.4 225 R -735993.91 -836758.36 -219235.56 320000.00 T= 6029.95 K progress 22.5 226 R -692754.10 -869481.26 -223272.84 400000.00 T= 5471.16 K progress 22.6 227 R -600329.23 -914842.01 -245487.22 560000.00 T= 5456.455 K progress 22.7 228 T -613296.05 -910925.19 -222370.86 520000.00 T= 5441.75 K progress 22.8 229 T -626637.94 -890941.84 -215696.10 480000.00 T= 5309.405 K progress 22.9 230 R -542269.29 -817611.54 -204657.75 480000.00 T= 5162.355 K progress 23.0 231 T -728130.73 -840946.33 -207184.40 320000.00 T= 5147.65 K progress 23.1 232 R -697989.78 -847167.01 -210822.77 360000.00 T= 5015.305 K progress 23.2 233 R -617548.71 -744769.68 -192779.03 320000.00 T= 4780.025 K progress 23.3 234 T -650918.53 -682184.28 -208734.25 240000.00 T= 4691.795 K progress 23.4 235 T -591112.05 -714805.16 -196306.89 320000.00 T= 4677.09 K progress 23.5 236 T -518445.40 -676909.53 -201535.87 360000.00 T= 4632.975 K progress 23.6 237 T -594612.97 -650802.69 -183810.28 240000.00 T= 4603.565 K progress 23.7 238 R -569947.62 -772296.02 -197651.60 400000.00 T= 4500.63 K progress 23.8 239 R -657692.24 -662054.69 -195637.55 200000.00 T= 4427.105 K progress 23.9 240 T -677328.58 -689041.36 -188287.23 200000.00 T= 4353.58 K progress 24.0 241 R -798112.51 -802430.41 -195682.11 200000.00 T= 4338.875 K progress 24.1 242 R -802572.41 -805298.69 -197273.73 200000.00 T= 4324.17 K progress 24.2 243 T -795221.25 -769008.07 -186213.18 160000.00 T= 4221.235 K progress 24.3 244 T -811660.33 -775987.87 -195672.46 160000.00 T= 4206.53 K progress 24.4 245 R -799463.89 -794829.47 -204634.42 200000.00 T= 4147.71 K progress 24.5 246 T -852995.84 -721113.83 -211882.01 80000.00 T= 4059.48 K progress 24.6 247 T -734152.42 -771846.71 -202305.71 240000.00 T= 3956.545 K progress 24.7 248 R -678803.78 -760410.77 -198393.01 280000.00 T= 3912.43 K progress 24.8 249 R -768320.22 -767764.95 -200555.27 200000.00 T= 3897.725 K progress 24.9 250 T -734148.46 -702660.68 -191487.78 160000.00 T= 3853.61 K progress 25.0 251 T -784659.75 -780328.33 -204331.42 200000.00 T= 3824.2 K progress 25.1 252 T -813414.61 -700242.04 -193172.57 80000.00 T= 3691.855 K progress 25.2 253 R -830903.17 -719332.89 -191570.28 80000.00 T= 3603.625 K progress 25.3 254 R -840077.80 -723163.17 -196914.63 80000.00 T= 3515.395 K progress 25.4 255 R -786667.83 -683852.13 -182815.70 80000.00 T= 3471.28 K progress 25.5 256 R -884539.98 -763739.69 -200800.28 80000.00 T= 3456.575 K progress 25.6 257 R -882542.10 -760277.26 -202264.84 80000.00 T= 3221.295 K progress 25.7 258 R -885319.99 -762770.11 -202549.88 80000.00 T= 3177.18 K progress 25.8 259 R -899219.57 -778533.14 -200686.43 80000.00 T= 3044.835 K progress 25.9 260 R -882893.53 -760603.98 -202289.55 80000.00 T= 3030.13 K progress 26.0 261 R -847791.39 -735185.50 -192605.88 80000.00 T= 3015.425 K progress 26.1 262 T -883840.85 -773813.03 -190027.82 80000.00 T= 2765.44 K progress 26.2 263 T -931441.64 -793306.41 -218135.24 80000.00 T= 2736.03 K progress 26.3 264 R -932155.82 -796274.48 -215881.34 80000.00 T= 2103.715 K progress 26.4 265 R -907389.77 -774337.31 -213052.46 80000.00 T= 2000.78 K progress 26.5 266 T -928758.96 -787306.17 -221452.79 80000.00 T= 1662.565 K progress 26.6 267 R -928266.63 -788298.57 -219968.06 80000.00 T= 1559.63 K progress 26.7 268 T -928255.20 -821637.49 -226617.71 120000.00 T= 1500.81 K progress 26.8 269 R -992574.04 -840534.74 -232039.30 80000.00 T= 1177.3 K progress 26.9 270 T -977214.24 -831621.85 -225592.39 80000.00 T= 1162.595 K progress 27.0 271 R -976757.99 -831165.59 -225592.39 80000.00 T= 1118.48 K progress 27.1 272 R -979402.32 -833809.92 -225592.39 80000.00 T= 662.625 K progress 27.2 273 R -995305.13 -843412.62 -231892.50 80000.00 T= 397.935 K progress 27.3 msg save long traj Save long msg save best.pdb msg save plot e_step.png Wed Apr 29 23:10:45 2026 ['na-prot_16145.pdb'] msg Refinement of #1 /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/na-prot_16145.pdb dir: /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/ file: na-prot_16145.pdb find `pwd` -iname na-prot_16145.pdb copy /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73/prot-na_10/na-prot_16145.pdb to /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/96b18956-77ac-407c-a955-1774e79def73//ref_struc/na-prot_16145/na-prot_16145.pdb run_mc::OK! = stderr empty 2026-04-29 23:16:10 npdock::MC (refinement) end 2026-04-29 23:16:10 npdock::OK 2026-04-29 23:16:10 Set finished status of 96b18956-77ac-407c-a955-1774e79def73