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 ProbKnot - scored lower in this pairwise comparison

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


Overview

Metric HotKnots ProbKnot
MCC 0.752 > 0.741
Average MCC ± 95% Confidence Intervals 0.815 ± 0.063 > 0.784 ± 0.070
Sensitivity 0.781 > 0.774
Positive Predictive Value 0.729 > 0.715
Total TP 1076 > 1066
Total TN 115815 > 115799
Total FP 551 < 610
Total FP CONTRA 145 < 148
Total FP INCONS 254 < 277
Total FP COMP 152 < 185
Total FN 301 < 311
P-value 4.48494289621e-08

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Performance plots


  1. Comparison of performance of HotKnots and ProbKnot. 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 ProbKnot).

  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 ProbKnot).

  3. Comparison of average Matthews Correlation Coefficients (MCCs) for HotKnots and ProbKnot. 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 ProbKnot).

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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 1076
Total TN 115815
Total FP 551
Total FP CONTRA 145
Total FP INCONS 254
Total FP COMP 152
Total FN 301
Total Scores
MCC 0.752
Average MCC ± 95% Confidence Intervals 0.815 ± 0.063
Sensitivity 0.781
Positive Predictive Value 0.729
Nr of predictions 74

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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
2KRL_A - 0.91 0.87 0.95 20 2003 9 1 0 8 3
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
2LI4_A - 1.00 1.00 1.00 14 175 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
2RRC_A - 1.00 1.00 1.00 7 68 0 0 0 0 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
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
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_a - 0.55 0.64 0.50 7 397 8 5 2 1 4
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
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_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
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_2 0.87 0.87 0.87 27 2723 12 0 4 8 4
3O58_3 0.26 0.36 0.19 8 4722 35 16 18 1 14
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_3 0.88 0.86 0.89 32 2727 7 0 4 3 5
4A1C_2 0.19 0.25 0.15 5 4483 42 12 16 14 15
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 ProbKnot - scored lower in this pairwise comparison

1. Total counts & total scores for ProbKnot

Total Base Pair Counts
Total TP 1066
Total TN 115799
Total FP 610
Total FP CONTRA 148
Total FP INCONS 277
Total FP COMP 185
Total FN 311
Total Scores
MCC 0.741
Average MCC ± 95% Confidence Intervals 0.784 ± 0.070
Sensitivity 0.774
Positive Predictive Value 0.715
Nr of predictions 74

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

RNA Chain Rfam family MCC SENS PPV TP TN FP FP CONTRA FP INCONS FP COMP FN
2KRL_A - 0.82 0.87 0.77 20 1998 15 6 0 9 3
2KX8_A 1.00 1.00 1.00 16 355 0 0 0 0 0
2KXM_A - 0.87 0.88 0.88 7 141 1 0 1 0 1
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 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 - 0.85 0.86 0.86 6 268 3 0 1 2 1
2LBS_A - 1.00 1.00 1.00 14 193 0 0 0 0 0
2LC8_A -0.03 0.00 0.00 0 513 15 3 12 0 18
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
2LI4_A - 1.00 1.00 1.00 14 175 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 - 0.89 0.86 0.93 25 2413 9 0 2 7 4
2LQZ_A - 1.00 1.00 1.00 8 124 2 0 0 2 0
2LWK_A - 1.00 1.00 1.00 11 196 1 0 0 1 0
2RRC_A - 0.83 0.71 1.00 5 70 0 0 0 0 2
2XKV_B 0.64 0.73 0.57 8 1821 26 0 6 20 3
2XQD_Y 1.00 1.00 1.00 21 1108 2 0 0 2 0
2XXA_G 0.25 0.26 0.26 9 2011 26 1 24 1 26
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 7 1 3 3 3
2YIE_Z - -0.02 0.00 0.00 0 587 15 6 9 0 8
3AKZ_H 0.87 1.00 0.77 20 1101 9 6 0 3 0
3AM1_B - 0.82 0.86 0.78 25 1434 7 3 4 0 4
3AMU_B 0.77 0.79 0.75 15 1137 9 0 5 4 4
3IYQ_A 0.24 0.33 0.18 17 22346 97 41 36 20 34
3IZ4_A 0.59 0.61 0.57 58 25435 49 17 26 6 37
3IZF_C 0.90 0.91 0.89 32 2604 7 0 4 3 3
3J0L_h - 0.89 0.88 0.90 28 2109 3 0 3 0 4
3J0L_1 - 0.83 0.77 0.91 10 473 5 0 1 4 3
3J0L_a - 0.60 0.64 0.58 7 399 6 4 1 1 4
3J0L_8 - 1.00 1.00 1.00 7 69 0 0 0 0 0
3J0L_2 - 0.30 0.31 0.31 8 2224 27 1 17 9 18
3J0L_g - -0.02 0.00 0.00 0 171 7 1 4 2 2
3J0L_7 - -0.02 0.00 0.00 0 506 13 3 10 0 10
3J16_L 0.42 0.48 0.38 10 1133 16 3 13 0 11
3NDB_M - 0.94 0.93 0.95 41 3671 8 0 2 6 3
3NKB_B - 0.69 0.74 0.67 14 714 7 0 7 0 5
3NMU_E - -0.02 0.00 0.00 0 207 11 6 3 2 3
3NPB_A 0.79 0.73 0.87 27 2247 9 0 4 5 10
3O58_2 0.91 0.94 0.88 29 2721 10 0 4 6 2
3O58_3 0.38 0.50 0.29 11 4726 42 10 17 15 11
3OVB_D - 1.00 1.00 1.00 11 215 2 0 0 2 0
3OVS_D - 1.00 1.00 1.00 12 204 1 0 0 1 0
3P22_G - 1.00 1.00 1.00 11 301 1 0 0 1 0
3PDR_A 0.88 0.92 0.85 46 4786 10 5 3 2 4
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 0.87 0.83 0.91 20 844 2 2 0 0 4
3SD1_A 0.66 0.69 0.65 20 1502 11 6 5 0 9
3SIU_F - 0.86 0.75 1.00 6 139 0 0 0 0 2
3SN2_B 1.00 1.00 1.00 12 142 0 0 0 0 0
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 - 0.58 0.59 0.59 13 1254 9 2 7 0 9
3UZL_B 0.92 1.00 0.84 16 1274 11 3 0 8 0
3VJR_D - 1.00 1.00 1.00 12 239 0 0 0 0 0
4A1C_3 0.88 0.86 0.89 32 2727 7 0 4 3 5
4A1C_2 0.17 0.25 0.13 5 4477 49 13 21 15 15
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 0.81 0.73 0.92 11 460 1 1 0 0 4
4ENC_A 0.52 0.53 0.53 8 481 8 0 7 1 7

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