CompaRNA - on-line benchmarks of RNA structure prediction methods
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Table of contents:

  1. Overview

  2. Performance Plots

  3. Performance of HotKnots - scored higher in this pairwise comparison

  4. Performance of McQFold - scored lower in this pairwise comparison

  5. Compile and download dataset for HotKnots & McQFold [.zip] - may take several seconds...


Overview

Metric HotKnots McQFold
MCC 0.770 > 0.718
Average MCC ± 95% Confidence Intervals 0.809 ± 0.052 > 0.761 ± 0.055
Sensitivity 0.791 > 0.719
Positive Predictive Value 0.755 > 0.725
Total TP 1600 > 1453
Total TN 149728 < 149842
Total FP 783 > 747
Total FP CONTRA 180 < 199
Total FP INCONS 338 < 352
Total FP COMP 265 > 196
Total FN 422 < 569
P-value 3.56938820447e-08

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Performance plots


  1. Comparison of performance of HotKnots and McQFold. Positive Predictive Value (PPV) is plotted against sensitivity. Each dot represents a single test of each method. See tables below for raw data (individual counts for HotKnots and McQFold).

  2. Average Matthews Correlation Coefficients (MCC) with 95% confidence intervals (CIs) were plotted for different RNA families, for which at least 3 members were present in the benchmarking dataset. 'n' denotes the number of MCCs used to calculate the average and CI. See tables below for raw data (individual counts for HotKnots and McQFold).

  3. Comparison of average Matthews Correlation Coefficients (MCCs) for HotKnots and McQFold. The whiskers correspond to 95% confidence intervals (CIs). 'n' denotes the number of MCCs used to calculate average MCCs and CIs. See tables below for raw data (individual counts for HotKnots and McQFold).

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Performance of HotKnots - scored higher in this pairwise comparison

1. Total counts & total scores for HotKnots

Total Base Pair Counts
Total TP 1600
Total TN 149728
Total FP 783
Total FP CONTRA 180
Total FP INCONS 338
Total FP COMP 265
Total FN 422
Total Scores
MCC 0.770
Average MCC ± 95% Confidence Intervals 0.809 ± 0.052
Sensitivity 0.791
Positive Predictive Value 0.755
Nr of predictions 117

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2. Individual counts for HotKnots [ download as .csv ]

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
2K5Z_A - 1.00 1.00 1.00 11 175 0 0 0 0 0
2K63_A - 1.00 1.00 1.00 9 159 0 0 0 0 0
2K66_A - 1.00 1.00 1.00 9 80 0 0 0 0 0
2KD8_A - 1.00 1.00 1.00 9 99 0 0 0 0 0
2KDQ_B 1.00 1.00 1.00 10 164 0 0 0 0 0
2KE6_A 1.00 1.00 1.00 18 449 1 0 0 1 0
2KEZ_A - 1.00 1.00 1.00 8 94 0 0 0 0 0
2KFC_A - -0.03 0.00 0.00 0 229 7 1 6 0 8
2KGP_A - 1.00 1.00 1.00 9 112 1 0 0 1 0
2KMJ_A - 1.00 1.00 1.00 11 157 0 0 0 0 0
2KPV_A - 0.96 0.92 1.00 12 201 0 0 0 0 1
2KRL_A - 0.91 0.87 0.95 20 2003 9 1 0 8 3
2KU0_A - 0.96 0.92 1.00 11 281 0 0 0 0 1
2KUR_A 1.00 1.00 1.00 19 448 0 0 0 0 0
2KUU_A 1.00 1.00 1.00 18 429 1 0 0 1 0
2KUV_A 1.00 1.00 1.00 19 420 0 0 0 0 0
2KUW_A 1.00 1.00 1.00 18 452 1 0 0 1 0
2KX8_A 1.00 1.00 1.00 16 355 0 0 0 0 0
2KXM_A - 1.00 1.00 1.00 8 141 0 0 0 0 0
2KZL_A - 1.00 1.00 1.00 13 507 1 0 0 1 0
2L1F_B 1.00 1.00 1.00 24 767 0 0 0 0 0
2L1F_A 1.00 1.00 1.00 23 740 0 0 0 0 0
2L2K_A - 1.00 1.00 1.00 17 332 0 0 0 0 0
2L3C_B - 1.00 1.00 1.00 14 225 0 0 0 0 0
2L3E_A - 1.00 1.00 1.00 12 228 1 0 0 1 0
2L3J_B 1.00 1.00 1.00 30 955 0 0 0 0 0
2L5Z_A - 1.00 1.00 1.00 9 102 0 0 0 0 0
2L94_A 1.00 1.00 1.00 18 339 1 0 0 1 0
2LA5_A - 0.77 0.71 0.83 5 269 3 0 1 2 2
2LBS_A - 1.00 1.00 1.00 14 193 0 0 0 0 0
2LC8_A 0.64 0.61 0.69 11 512 5 0 5 0 7
2LDL_A - 1.00 1.00 1.00 9 131 1 0 0 1 0
2LDT_A - 1.00 1.00 1.00 11 151 0 0 0 0 0
2LHP_A - 1.00 1.00 1.00 15 246 0 0 0 0 0
2LJJ_A - 1.00 1.00 1.00 7 123 3 0 0 3 0
2LK3_A - 1.00 1.00 1.00 9 91 0 0 0 0 0
2LKR_A - 1.00 1.00 1.00 29 2411 8 0 0 8 0
2LQZ_A - 1.00 1.00 1.00 8 124 2 0 0 2 0
2LWK_A - 0.95 0.91 1.00 10 197 1 0 0 1 1
2RP0_A - 0.84 0.71 1.00 5 111 0 0 0 0 2
2RPT_A - 1.00 1.00 1.00 7 65 0 0 0 0 0
2RRC_A - 1.00 1.00 1.00 7 68 0 0 0 0 0
2WRQ_Y 1.00 1.00 1.00 9 1143 14 0 0 14 0
2WW9_F - 0.68 0.75 0.67 6 103 4 1 2 1 2
2WW9_D - 0.08 0.10 0.08 1 729 15 2 9 4 9
2WW9_E - 0.89 0.80 1.00 4 168 0 0 0 0 1
2WWQ_V 1.00 1.00 1.00 19 1185 5 0 0 5 0
2XKV_B 0.64 0.73 0.57 8 1821 25 0 6 19 3
2XQD_Y 0.98 0.95 1.00 20 1109 1 0 0 1 1
2XXA_G 0.35 0.34 0.38 12 2013 21 1 19 1 23
2Y8W_B - 1.00 1.00 1.00 6 82 1 0 0 1 0
2Y9C_V - 0.79 0.83 0.75 15 886 8 0 5 3 3
2YIE_X - 0.53 0.57 0.50 4 536 6 1 3 2 3
2YIE_Z - -0.02 0.00 0.00 0 587 15 6 9 0 8
2ZY6_A - 0.66 0.78 0.58 7 264 5 3 2 0 2
2ZZM_B 0.25 0.27 0.25 4 1342 20 3 9 8 11
2ZZN_D 0.93 0.95 0.91 21 961 3 2 0 1 1
3A2K_C 0.47 0.50 0.46 11 1084 13 3 10 0 11
3A3A_A 0.97 0.93 1.00 28 1472 0 0 0 0 2
3ADB_C - 0.86 0.85 0.88 28 1787 5 0 4 1 5
3AKZ_H 0.48 0.50 0.48 10 1106 13 4 7 2 10
3AM1_B - 0.86 0.86 0.86 25 1437 4 0 4 0 4
3AMU_B 0.81 0.79 0.83 15 1139 6 0 3 3 4
3DW4_A - -0.03 0.00 0.00 0 136 6 1 3 2 6
3G4S_9 0.78 0.77 0.80 20 2711 14 2 3 9 6
3GCA_A - 0.84 0.71 1.00 5 153 0 0 0 0 2
3GX2_A 0.81 0.79 0.85 22 1423 5 2 2 1 6
3HAY_E - 1.00 1.00 1.00 14 910 7 0 0 7 0
3HJW_D - 1.00 1.00 1.00 16 593 2 0 0 2 0
3IAB_R - 1.00 1.00 1.00 12 373 0 0 0 0 0
3ID5_D - 0.59 0.60 0.60 3 224 5 0 2 3 2
3IVN_B 0.91 0.83 1.00 19 884 0 0 0 0 4
3IWN_A 0.69 0.68 0.70 19 1445 9 1 7 1 9
3IYQ_A 0.24 0.33 0.17 17 22341 96 47 35 14 34
3IZ4_A 0.56 0.60 0.52 57 25426 57 26 27 4 38
3IZF_C 0.89 0.91 0.86 32 2603 9 0 5 4 3
3J0L_h - 0.87 0.81 0.93 26 2112 4 1 1 2 6
3J0L_1 - 0.83 0.77 0.91 10 473 4 0 1 3 3
3J0L_2 - 0.34 0.35 0.35 9 2224 23 2 15 6 17
3J0L_g - -0.01 0.00 0.00 0 173 5 1 2 2 2
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_a - 0.55 0.64 0.50 7 397 8 5 2 1 4
3J0L_7 - 0.38 0.50 0.31 5 503 12 4 7 1 5
3J16_L 0.31 0.33 0.30 7 1136 16 3 13 0 14
3JYV_7 -0.02 0.00 0.00 0 1089 22 4 18 0 20
3JYX_4 0.61 0.83 0.45 10 4734 31 10 2 19 2
3JYX_3 0.77 0.80 0.75 12 2362 27 0 4 23 3
3KTW_C - 0.96 0.96 0.96 24 1755 9 0 1 8 1
3LA5_A 0.91 0.84 1.00 21 933 0 0 0 0 4
3NDB_M - 1.00 1.00 1.00 44 3670 4 0 0 4 0
3NKB_B - 0.69 0.74 0.67 14 714 7 0 7 0 5
3NMU_E - 1.00 1.00 1.00 3 213 5 0 0 5 0
3NPB_A 0.85 0.78 0.94 29 2247 6 0 2 4 8
3O58_3 0.26 0.36 0.19 8 4722 35 16 18 1 14
3O58_2 0.87 0.87 0.87 27 2723 12 0 4 8 4
3OVB_D - 1.00 1.00 1.00 11 215 1 0 0 1 0
3OVS_D - 1.00 1.00 1.00 12 204 0 0 0 0 0
3P22_G - 1.00 1.00 1.00 11 301 0 0 0 0 0
3PDR_A 0.81 0.80 0.82 40 4791 11 3 6 2 10
3R4F_A - 1.00 1.00 1.00 22 884 1 0 0 1 0
3R9X_C - 1.00 1.00 1.00 8 221 2 0 0 2 0
3RKF_A 0.91 0.83 1.00 20 846 0 0 0 0 4
3SD1_A 0.77 0.76 0.79 22 1505 6 4 2 0 7
3SIU_F - 1.00 1.00 1.00 8 137 0 0 0 0 0
3SN2_B 0.95 0.92 1.00 11 143 0 0 0 0 1
3TRZ_Z - 1.00 1.00 1.00 5 87 1 0 0 1 0
3TS0_U - 1.00 1.00 1.00 6 112 1 0 0 1 0
3TS2_V - 1.00 1.00 1.00 5 103 0 0 0 0 0
3U4M_B - 0.49 0.55 0.46 12 1250 14 3 11 0 10
3UZL_B 0.49 0.50 0.50 8 1277 15 0 8 7 8
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
4A1C_2 0.19 0.25 0.15 5 4483 42 12 16 14 15
4A1C_3 0.88 0.86 0.89 32 2727 7 0 4 3 5
4A4U_A - 1.00 1.00 1.00 9 96 0 0 0 0 0
4AOB_A 0.60 0.59 0.63 17 1410 11 4 6 1 12
4ENB_A 1.00 1.00 1.00 15 457 0 0 0 0 0
4ENC_A 0.97 1.00 0.94 15 480 1 1 0 0 0

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Performance of McQFold - scored lower in this pairwise comparison

1. Total counts & total scores for McQFold

Total Base Pair Counts
Total TP 1453
Total TN 149842
Total FP 747
Total FP CONTRA 199
Total FP INCONS 352
Total FP COMP 196
Total FN 569
Total Scores
MCC 0.718
Average MCC ± 95% Confidence Intervals 0.761 ± 0.055
Sensitivity 0.719
Positive Predictive Value 0.725
Nr of predictions 117

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2. Individual counts for McQFold [ download as .csv ]

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
2K5Z_A - 0.59 0.36 1.00 4 182 0 0 0 0 7
2K63_A - 1.00 1.00 1.00 9 159 0 0 0 0 0
2K66_A - 1.00 1.00 1.00 9 80 0 0 0 0 0
2KD8_A - 1.00 1.00 1.00 9 99 1 0 0 1 0
2KDQ_B 1.00 1.00 1.00 10 164 0 0 0 0 0
2KE6_A 0.91 0.83 1.00 15 452 1 0 0 1 3
2KEZ_A - 1.00 1.00 1.00 8 94 0 0 0 0 0
2KFC_A - 0.79 0.63 1.00 5 231 0 0 0 0 3
2KGP_A - 0.81 0.67 1.00 6 115 1 0 0 1 3
2KMJ_A - 1.00 1.00 1.00 11 157 1 0 0 1 0
2KPV_A - 0.96 0.92 1.00 12 201 0 0 0 0 1
2KRL_A - 0.75 0.83 0.68 19 1996 15 7 2 6 4
2KU0_A - 0.86 0.75 1.00 9 283 0 0 0 0 3
2KUR_A 0.91 0.84 1.00 16 451 0 0 0 0 3
2KUU_A 0.91 0.83 1.00 15 432 1 0 0 1 3
2KUV_A 0.91 0.84 1.00 16 423 0 0 0 0 3
2KUW_A 0.94 0.89 1.00 16 454 0 0 0 0 2
2KX8_A 0.93 0.94 0.94 15 355 1 0 1 0 1
2KXM_A - 0.78 0.63 1.00 5 144 0 0 0 0 3
2KZL_A - 1.00 1.00 1.00 13 507 2 0 0 2 0
2L1F_B 1.00 1.00 1.00 24 767 0 0 0 0 0
2L1F_A 1.00 1.00 1.00 23 740 0 0 0 0 0
2L2K_A - 1.00 1.00 1.00 17 332 1 0 0 1 0
2L3C_B - 1.00 1.00 1.00 14 225 1 0 0 1 0
2L3E_A - 1.00 1.00 1.00 12 228 2 0 0 2 0
2L3J_B 0.95 0.90 1.00 27 958 0 0 0 0 3
2L5Z_A - 1.00 1.00 1.00 9 102 0 0 0 0 0
2L94_A 1.00 1.00 1.00 18 339 1 0 0 1 0
2LA5_A - 0.77 0.71 0.83 5 269 1 0 1 0 2
2LBS_A - 1.00 1.00 1.00 14 193 1 0 0 1 0
2LC8_A 0.64 0.61 0.69 11 512 5 1 4 0 7
2LDL_A - 0.81 0.67 1.00 6 134 0 0 0 0 3
2LDT_A - 0.79 0.64 1.00 7 155 0 0 0 0 4
2LHP_A - 1.00 1.00 1.00 15 246 1 0 0 1 0
2LJJ_A - 1.00 1.00 1.00 7 123 3 0 0 3 0
2LK3_A - 1.00 1.00 1.00 9 91 0 0 0 0 0
2LKR_A - 0.55 0.55 0.55 16 2411 15 5 8 2 13
2LQZ_A - 1.00 1.00 1.00 8 124 3 0 0 3 0
2LWK_A - 0.95 0.91 1.00 10 197 2 0 0 2 1
2RP0_A - 0.84 0.71 1.00 5 111 0 0 0 0 2
2RPT_A - 1.00 1.00 1.00 7 65 0 0 0 0 0
2RRC_A - 0.83 0.71 1.00 5 70 0 0 0 0 2
2WRQ_Y 1.00 1.00 1.00 9 1143 14 0 0 14 0
2WW9_F - 0.86 0.75 1.00 6 106 1 0 0 1 2
2WW9_D - 0.44 0.40 0.50 4 733 9 4 0 5 6
2WW9_E - -0.03 0.00 0.00 0 168 5 0 4 1 5
2WWQ_V 0.00 0.00 0.00 0 1204 0 0 0 0 19
2XKV_B 0.33 0.36 0.31 4 1822 27 2 7 18 7
2XQD_Y 0.98 0.95 1.00 20 1109 1 0 0 1 1
2XXA_G 0.27 0.26 0.30 9 2015 22 0 21 1 26
2Y8W_B - 1.00 1.00 1.00 6 82 2 0 0 2 0
2Y9C_V - 0.72 0.72 0.72 13 888 8 0 5 3 5
2YIE_X - 0.53 0.57 0.50 4 536 6 1 3 2 3
2YIE_Z - 0.53 0.63 0.45 5 591 6 4 2 0 3
2ZY6_A - 0.66 0.78 0.58 7 264 5 3 2 0 2
2ZZM_B 0.18 0.20 0.19 3 1342 22 4 9 9 12
2ZZN_D 0.93 0.95 0.91 21 961 2 2 0 0 1
3A2K_C 0.98 0.95 1.00 21 1087 0 0 0 0 1
3A3A_A 0.97 0.93 1.00 28 1472 0 0 0 0 2
3ADB_C - 0.98 0.97 1.00 32 1787 1 0 0 1 1
3AKZ_H 0.78 0.80 0.76 16 1106 7 2 3 2 4
3AM1_B - 1.00 1.00 1.00 29 1437 1 0 0 1 0
3AMU_B 0.86 0.79 0.94 15 1141 4 0 1 3 4
3DW4_A - -0.03 0.00 0.00 0 137 3 0 3 0 6
3G4S_9 0.39 0.42 0.37 11 2706 22 6 13 3 15
3GCA_A - 0.84 0.71 1.00 5 153 0 0 0 0 2
3GX2_A 0.56 0.57 0.57 16 1421 13 4 8 1 12
3HAY_E - 1.00 1.00 1.00 14 910 4 0 0 4 0
3HJW_D - 0.94 0.94 0.94 15 593 3 0 1 2 1
3IAB_R - 1.00 1.00 1.00 12 373 0 0 0 0 0
3ID5_D - 0.66 0.60 0.75 3 225 6 0 1 5 2
3IVN_B 0.91 0.83 1.00 19 884 0 0 0 0 4
3IWN_A 0.21 0.21 0.24 6 1447 19 2 17 0 22
3IYQ_A 0.22 0.31 0.15 16 22335 100 45 44 11 35
3IZ4_A 0.46 0.46 0.47 44 25442 56 14 36 6 51
3IZF_C 0.85 0.83 0.88 29 2607 7 0 4 3 6
3J0L_h - 0.75 0.66 0.88 21 2116 3 0 3 0 11
3J0L_1 - 0.73 0.62 0.89 8 475 4 0 1 3 5
3J0L_2 - 0.29 0.31 0.30 8 2223 21 1 18 2 18
3J0L_g - -0.01 0.00 0.00 0 174 4 0 2 2 2
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_a - 0.21 0.18 0.29 2 404 6 3 2 1 9
3J0L_7 - -0.02 0.00 0.00 0 509 10 2 8 0 10
3J16_L 0.90 0.81 1.00 17 1142 0 0 0 0 4
3JYV_7 -0.02 0.00 0.00 0 1091 20 4 16 0 20
3JYX_4 0.35 0.58 0.22 7 4724 33 17 8 8 5
3JYX_3 0.28 0.40 0.20 6 2348 24 17 7 0 9
3KTW_C - 0.52 0.52 0.54 13 1756 17 2 9 6 12
3LA5_A 0.91 0.84 1.00 21 933 0 0 0 0 4
3NDB_M - 0.97 0.95 0.98 42 3671 5 0 1 4 2
3NKB_B - 0.42 0.42 0.44 8 717 10 2 8 0 11
3NMU_E - 0.57 0.33 1.00 1 215 3 0 0 3 2
3NPB_A 0.90 0.81 1.00 30 2248 5 0 0 5 7
3O58_3 0.30 0.36 0.25 8 4732 27 15 9 3 14
3O58_2 0.93 0.87 1.00 27 2727 2 0 0 2 4
3OVB_D - 1.00 1.00 1.00 11 215 1 0 0 1 0
3OVS_D - 1.00 1.00 1.00 12 204 0 0 0 0 0
3P22_G - 1.00 1.00 1.00 11 301 0 0 0 0 0
3PDR_A 0.83 0.80 0.87 40 4794 9 2 4 3 10
3R4F_A - 1.00 1.00 1.00 22 884 2 0 0 2 0
3R9X_C - 1.00 1.00 1.00 8 221 2 0 0 2 0
3RKF_A 0.91 0.83 1.00 20 846 0 0 0 0 4
3SD1_A 0.82 0.83 0.83 24 1504 5 1 4 0 5
3SIU_F - 0.86 0.75 1.00 6 139 0 0 0 0 2
3SN2_B 0.95 0.92 1.00 11 143 0 0 0 0 1
3TRZ_Z - 1.00 1.00 1.00 5 87 2 0 0 2 0
3TS0_U - 1.00 1.00 1.00 6 112 1 0 0 1 0
3TS2_V - 1.00 1.00 1.00 5 103 0 0 0 0 0
3U4M_B - 0.95 0.91 1.00 20 1256 2 0 0 2 2
3UZL_B 0.62 0.75 0.52 12 1270 17 8 3 6 4
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
4A1C_2 0.19 0.25 0.16 5 4484 33 11 16 6 15
4A1C_3 0.28 0.30 0.28 11 2724 30 4 24 2 26
4A4U_A - 1.00 1.00 1.00 9 96 0 0 0 0 0
4AOB_A 0.50 0.48 0.54 14 1411 13 3 9 1 15
4ENB_A 1.00 1.00 1.00 15 457 0 0 0 0 0
4ENC_A 0.97 1.00 0.94 15 480 1 1 0 0 0

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Matthews Correlation Coeffient, Sensitivity and Positive Predictive Value have been calculated based on the paper by Gardener & Giegerich, 2004.