CompaRNA - on-line benchmarks of RNA structure prediction methods

Laboratory of Structural Bioinformatics @ Adam Mickiewicz University in Poznan

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Overview

Metric	MXScarna(seed)		Pknots
MCC	0.789	>	0.692
Average MCC ± 95% Confidence Intervals	0.770 ± 0.064	>	0.736 ± 0.086
Sensitivity	0.746	>	0.722
Positive Predictive Value	0.841	>	0.672
Total TP	859	>	832
Total TN	80774	>	80556
Total FP	342	<	540
Total FP CONTRA	43	<	125
Total FP INCONS	119	<	282
Total FP COMP	180	>	133
Total FN	293	<	320
P-value	3.56938820447e-08

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Performance plots

Comparison of performance of MXScarna(seed) and Pknots. 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 MXScarna(seed) and Pknots).
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 MXScarna(seed) and Pknots).
Comparison of average Matthews Correlation Coefficients (MCCs) for MXScarna(seed) and Pknots. 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 MXScarna(seed) and Pknots).

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Performance of MXScarna(seed) - scored higher in this pairwise comparison

1. Total counts & total scores for MXScarna(seed)

Total Base Pair Counts
Total TP	859
Total TN	80774
Total FP	342
Total FP CONTRA	43
Total FP INCONS	119
Total FP COMP	180
Total FN	293

Total Scores
MCC	0.789
Average MCC ± 95% Confidence Intervals	0.770 ± 0.064
Sensitivity	0.746
Positive Predictive Value	0.841
Nr of predictions	50

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2. Individual counts for MXScarna(seed) [ download as .csv ]

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
2KDQ_B	mir-TAR links to Rfam database...	1.00	1.00	1.00	10	164	0	0	0	0	0
2KE6_A	K10_TLS links to Rfam database...	0.91	0.89	0.94	16	450	2	0	1	1	2
2KUR_A	K10_TLS links to Rfam database...	0.92	0.89	0.94	17	449	1	0	1	0	2
2KUU_A	K10_TLS links to Rfam database...	0.91	0.89	0.94	16	430	2	0	1	1	2
2KUV_A	K10_TLS links to Rfam database...	0.92	0.89	0.94	17	421	1	0	1	0	2
2KUW_A	K10_TLS links to Rfam database...	0.78	0.72	0.87	13	455	3	0	2	1	5
2KX8_A	7SK links to Rfam database...	-0.01	0.00	0.00	0	369	2	0	2	0	16
2L1F_A	Gammaretro_CES links to Rfam database...	0.93	0.91	0.95	21	741	1	0	1	0	2
2L1F_B	Gammaretro_CES links to Rfam database...	0.98	0.96	1.00	23	768	0	0	0	0	1
2L94_A	HIV_FE links to Rfam database...	0.55	0.56	0.59	10	340	8	0	7	1	8
2LC8_A	GP_knot1 links to Rfam database...	-0.03	0.00	0.00	0	518	12	0	10	2	18
2WRQ_Y	tRNA links to Rfam database...	1.00	1.00	1.00	9	1143	12	0	0	12	0
2WWQ_V	tRNA links to Rfam database...	0.70	0.68	0.72	13	1186	7	0	5	2	6
2XKV_B	Bacteria_small_SRP links to Rfam database...	0.78	0.82	0.75	9	1823	20	0	3	17	2
2XQD_Y	tRNA links to Rfam database...	0.85	0.81	0.89	17	1110	3	0	2	1	4
2XXA_G	Bacteria_small_SRP links to Rfam database...	0.74	0.69	0.80	24	2015	7	0	6	1	11
2ZZM_B	tRNA links to Rfam database...	0.81	0.67	1.00	10	1348	9	0	0	9	5
2ZZN_D	tRNA links to Rfam database...	0.95	0.91	1.00	20	964	0	0	0	0	2
3A2K_C	tRNA links to Rfam database...	0.95	0.91	1.00	20	1088	0	0	0	0	2
3A3A_A	tRNA-Sec links to Rfam database...	0.84	0.77	0.92	23	1475	4	0	2	2	7
3AKZ_H	tRNA links to Rfam database...	1.00	1.00	1.00	20	1107	1	0	0	1	0
3AMU_B	tRNA links to Rfam database...	0.97	0.95	1.00	18	1139	2	0	0	2	1
3GX2_A	SAM links to Rfam database...	0.83	0.82	0.85	23	1422	7	2	2	3	5
3IVN_B	Purine links to Rfam database...	0.69	0.57	0.87	13	888	2	2	0	0	10
3IZF_C	5S_rRNA links to Rfam database...	0.84	0.83	0.85	29	2606	11	0	5	6	6
3J16_L	tRNA links to Rfam database...	0.98	0.95	1.00	20	1139	0	0	0	0	1
3J20_1	tRNA links to Rfam database...	0.97	0.95	1.00	19	1093	1	0	0	1	1
3J20_0	tRNA links to Rfam database...	0.90	0.86	0.95	18	1200	1	1	0	0	3
3J2L_3	5S_rRNA links to Rfam database...	0.79	0.76	0.81	26	2988	11	1	5	5	8
3JYV_7	tRNA links to Rfam database...	0.95	0.90	1.00	18	1093	2	0	0	2	2
3JYX_4	5_8S_rRNA links to Rfam database...	0.70	0.83	0.59	10	4739	21	6	1	14	2
3JYX_3	5S_rRNA links to Rfam database...	0.77	0.80	0.75	12	2362	24	0	4	20	3
3LA5_A	Purine links to Rfam database...	0.82	0.72	0.95	18	935	1	1	0	0	7
3NPB_A	SAM links to Rfam database...	0.76	0.70	0.84	26	2247	10	2	3	5	11
3O58_2	5S_rRNA links to Rfam database...	0.93	0.94	0.94	29	2723	11	0	2	9	2
3O58_3	5_8S_rRNA links to Rfam database...	0.54	0.50	0.58	11	4745	20	5	3	12	11
3PDR_A	ykoK links to Rfam database...	0.87	0.88	0.86	44	4789	10	4	3	3	6
3RKF_A	Purine links to Rfam database...	0.86	0.75	1.00	18	848	0	0	0	0	6
3SD1_A	THF links to Rfam database...	0.74	0.76	0.73	22	1503	9	4	4	1	7
3UZL_B	tRNA links to Rfam database...	0.83	0.75	0.92	12	1280	8	0	1	7	4
3W3S_B	tRNA-Sec links to Rfam database...	0.74	0.70	0.79	23	1960	7	0	6	1	10
3ZEX_C	5_8S_rRNA links to Rfam database...	0.39	0.31	0.50	9	5356	21	3	6	12	20
3ZEX_D	5S_rRNA links to Rfam database...	0.87	0.86	0.88	30	2762	11	0	4	7	5
4A1C_3	5S_rRNA links to Rfam database...	0.92	0.92	0.92	34	2726	6	0	3	3	3
4A1C_2	5_8S_rRNA links to Rfam database...	0.45	0.40	0.50	8	4500	20	4	4	12	12
4AOB_A	SAM links to Rfam database...	0.71	0.69	0.74	20	1410	10	2	5	3	9
4ENB_A	crcB links to Rfam database...	0.54	0.40	0.75	6	464	2	0	2	0	9
4ENC_A	crcB links to Rfam database...	0.48	0.40	0.60	6	486	4	1	3	0	9
4FRG_B	AdoCbl-variant links to Rfam database...	0.49	0.42	0.59	10	1185	8	2	5	1	14
4FRN_A	AdoCbl-variant links to Rfam database...	0.70	0.68	0.73	19	1822	7	3	4	0	9

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Performance of Pknots - scored lower in this pairwise comparison

1. Total counts & total scores for Pknots

Total Base Pair Counts
Total TP	832
Total TN	80556
Total FP	540
Total FP CONTRA	125
Total FP INCONS	282
Total FP COMP	133
Total FN	320

Total Scores
MCC	0.692
Average MCC ± 95% Confidence Intervals	0.736 ± 0.086
Sensitivity	0.722
Positive Predictive Value	0.672
Nr of predictions	50

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

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
2KDQ_B	mir-TAR links to Rfam database...	1.00	1.00	1.00	10	164	0	0	0	0	0
2KE6_A	K10_TLS links to Rfam database...	1.00	1.00	1.00	18	449	1	0	0	1	0
2KUR_A	K10_TLS links to Rfam database...	1.00	1.00	1.00	19	448	0	0	0	0	0
2KUU_A	K10_TLS links to Rfam database...	1.00	1.00	1.00	18	429	1	0	0	1	0
2KUV_A	K10_TLS links to Rfam database...	1.00	1.00	1.00	19	420	0	0	0	0	0
2KUW_A	K10_TLS links to Rfam database...	1.00	1.00	1.00	18	452	1	0	0	1	0
2KX8_A	7SK links to Rfam database...	1.00	1.00	1.00	16	355	0	0	0	0	0
2L1F_A	Gammaretro_CES links to Rfam database...	1.00	1.00	1.00	23	740	0	0	0	0	0
2L1F_B	Gammaretro_CES links to Rfam database...	1.00	1.00	1.00	24	767	0	0	0	0	0
2L94_A	HIV_FE links to Rfam database...	0.94	0.94	0.94	17	339	2	0	1	1	1
2LC8_A	GP_knot1 links to Rfam database...	0.83	0.83	0.83	15	510	3	2	1	0	3
2WRQ_Y	tRNA links to Rfam database...	1.00	1.00	1.00	9	1143	13	0	0	13	0
2WWQ_V	tRNA links to Rfam database...	0.29	0.32	0.29	6	1183	16	3	12	1	13
2XKV_B	Bacteria_small_SRP links to Rfam database...	0.21	0.27	0.17	3	1817	33	3	12	18	8
2XQD_Y	tRNA links to Rfam database...	0.98	0.95	1.00	20	1109	1	0	0	1	1
2XXA_G	Bacteria_small_SRP links to Rfam database...	0.32	0.34	0.32	12	2008	26	1	24	1	23
2ZZM_B	tRNA links to Rfam database...	0.18	0.20	0.19	3	1342	23	4	9	10	12
2ZZN_D	tRNA links to Rfam database...	0.95	0.95	0.95	21	962	1	1	0	0	1
3A2K_C	tRNA links to Rfam database...	0.50	0.55	0.48	12	1083	13	3	10	0	10
3A3A_A	tRNA-Sec links to Rfam database...	0.97	0.93	1.00	28	1472	0	0	0	0	2
3AKZ_H	tRNA links to Rfam database...	1.00	1.00	1.00	20	1107	2	0	0	2	0
3AMU_B	tRNA links to Rfam database...	1.00	1.00	1.00	19	1138	3	0	0	3	0
3GX2_A	SAM links to Rfam database...	0.55	0.57	0.55	16	1420	14	4	9	1	12
3IVN_B	Purine links to Rfam database...	0.91	0.87	0.95	20	882	1	0	1	0	3
3IZF_C	5S_rRNA links to Rfam database...	0.89	0.91	0.86	32	2603	9	0	5	4	3
3J16_L	tRNA links to Rfam database...	0.41	0.43	0.41	9	1137	13	1	12	0	12
3J20_1	tRNA links to Rfam database...	1.00	1.00	1.00	20	1092	1	0	0	1	0
3J20_0	tRNA links to Rfam database...	0.95	0.95	0.95	20	1198	2	1	0	1	1
3J2L_3	5S_rRNA links to Rfam database...	0.79	0.79	0.79	27	2986	12	1	6	5	7
3JYV_7	tRNA links to Rfam database...	0.97	0.95	1.00	19	1092	2	0	0	2	1
3JYX_4	5_8S_rRNA links to Rfam database...	0.33	0.58	0.19	7	4720	41	22	7	12	5
3JYX_3	5S_rRNA links to Rfam database...	0.37	0.53	0.27	8	2348	26	17	5	4	7
3LA5_A	Purine links to Rfam database...	0.94	0.88	1.00	22	932	0	0	0	0	3
3NPB_A	SAM links to Rfam database...	0.84	0.81	0.88	30	2244	9	0	4	5	7
3O58_2	5S_rRNA links to Rfam database...	0.93	0.90	0.97	28	2725	3	0	1	2	3
3O58_3	5_8S_rRNA links to Rfam database...	0.32	0.45	0.24	10	4722	39	18	14	7	12
3PDR_A	ykoK links to Rfam database...	0.64	0.64	0.65	32	4791	19	4	13	2	18
3RKF_A	Purine links to Rfam database...	0.91	0.88	0.95	21	844	1	0	1	0	3
3SD1_A	THF links to Rfam database...	0.78	0.76	0.81	22	1506	5	1	4	0	7
3UZL_B	tRNA links to Rfam database...	1.00	1.00	1.00	16	1277	7	0	0	7	0
3W3S_B	tRNA-Sec links to Rfam database...	0.78	0.76	0.81	25	1958	7	1	5	1	8
3ZEX_C	5_8S_rRNA links to Rfam database...	0.10	0.14	0.08	4	5322	54	13	35	6	25
3ZEX_D	5S_rRNA links to Rfam database...	0.31	0.34	0.30	12	2756	28	5	23	0	23
4A1C_3	5S_rRNA links to Rfam database...	0.28	0.30	0.28	11	2723	30	4	25	1	26
4A1C_2	5_8S_rRNA links to Rfam database...	0.33	0.40	0.29	8	4488	36	9	11	16	12
4AOB_A	SAM links to Rfam database...	0.19	0.21	0.21	6	1409	23	3	19	1	23
4ENB_A	crcB links to Rfam database...	1.00	1.00	1.00	15	457	2	0	0	2	0
4ENC_A	crcB links to Rfam database...	0.97	1.00	0.94	15	480	1	1	0	0	0
4FRG_B	AdoCbl-variant links to Rfam database...	0.55	0.50	0.63	12	1183	7	0	7	0	12
4FRN_A	AdoCbl-variant links to Rfam database...	0.57	0.54	0.63	15	1824	9	3	6	0	13

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

Table of contents:

Overview

Performance plots

Performance of MXScarna(seed) - scored higher in this pairwise comparison

1. Total counts & total scores for MXScarna(seed)

2. Individual counts for MXScarna(seed) [ download as .csv ]

Performance of Pknots - scored lower in this pairwise comparison

1. Total counts & total scores for Pknots

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