CompaRNA - on-line benchmarks of RNA structure prediction methods

Laboratory of Structural Bioinformatics @ Adam Mickiewicz University in Poznan

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Overview

Metric	RNASampler(20)		UNAFold
MCC	0.553	>	0.378
Average MCC ± 95% Confidence Intervals	0.570 ± 0.039	>	0.400 ± 0.053
Sensitivity	0.434	>	0.378
Positive Predictive Value	0.705	>	0.379
Total TP	1981	>	1728
Total TN	2918978	>	2917223
Total FP	1029	<	3147
Total FP CONTRA	247	<	500
Total FP INCONS	580	<	2335
Total FP COMP	202	<	312
Total FN	2585	<	2838
P-value	3.56938820447e-08

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Performance plots

Comparison of performance of RNASampler(20) and UNAFold. 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 RNASampler(20) and UNAFold).
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 RNASampler(20) and UNAFold).
Comparison of average Matthews Correlation Coefficients (MCCs) for RNASampler(20) and UNAFold. 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 RNASampler(20) and UNAFold).

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Performance of RNASampler(20) - scored higher in this pairwise comparison

1. Total counts & total scores for RNASampler(20)

Total Base Pair Counts
Total TP	1981
Total TN	2918978
Total FP	1029
Total FP CONTRA	247
Total FP INCONS	580
Total FP COMP	202
Total FN	2585

Total Scores
MCC	0.553
Average MCC ± 95% Confidence Intervals	0.570 ± 0.039
Sensitivity	0.434
Positive Predictive Value	0.705
Nr of predictions	50

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2. Individual counts for RNASampler(20) [ download as .csv ]

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00064	RNaseP_bact_a links to Rfam database...	0.44	0.34	0.58	30	45399	23	1	21	1	59
ASE_00090	RNaseP_bact_a links to Rfam database...	0.54	0.40	0.74	40	55557	14	0	14	0	61
ASE_00135	RNaseP_bact_a links to Rfam database...	0.54	0.36	0.83	39	63143	16	0	8	8	70
ASE_00153	RNaseP_nuc links to Rfam database...	0.38	0.33	0.44	24	57576	38	7	23	8	49
ASE_00215	RNaseP_bact_a links to Rfam database...	0.38	0.23	0.62	23	48479	16	0	14	2	76
ASE_00328	RNaseP_bact_b links to Rfam database...	0.70	0.57	0.85	64	72696	14	5	6	3	48
ASE_00361	RNaseP_bact_a links to Rfam database...	0.34	0.21	0.55	27	75417	26	3	19	4	100
ASE_00441	RNaseP_bact_a links to Rfam database...	0.46	0.31	0.69	35	64210	16	0	16	0	77
PDB_00571	tRNA links to Rfam database...	0.87	0.80	0.95	20	3300	1	1	0	0	5
PDB_00828	Purine links to Rfam database...	0.86	0.74	1.00	20	2465	0	0	0	0	7
PDB_00829	Purine links to Rfam database...	0.86	0.75	1.00	18	2260	0	0	0	0	6
PDB_01020	Purine links to Rfam database...	0.86	0.74	1.00	17	2261	1	0	0	1	6
PDB_01073	SAM links to Rfam database...	0.77	0.59	1.00	20	4351	1	0	0	1	14
TMR_00017	tmRNA links to Rfam database...	0.60	0.45	0.81	46	67104	15	2	9	4	56
TMR_00018	tmRNA links to Rfam database...	0.52	0.41	0.64	38	64561	25	10	11	4	54
TMR_00042	tmRNA links to Rfam database...	0.60	0.42	0.85	41	62787	13	0	7	6	57
TMR_00046	tmRNA links to Rfam database...	0.48	0.40	0.58	38	62769	34	5	23	6	58
TMR_00048	tmRNA links to Rfam database...	0.61	0.46	0.80	44	64925	16	3	8	5	51
TMR_00080	tmRNA links to Rfam database...	0.49	0.41	0.60	39	70435	28	10	16	2	57
TMR_00082	tmRNA links to Rfam database...	0.43	0.31	0.59	30	67845	21	13	8	0	66
TMR_00123	tmRNA links to Rfam database...	0.60	0.46	0.79	46	66372	17	3	9	5	55
TMR_00137	tmRNA links to Rfam database...	0.47	0.37	0.59	33	61019	28	11	12	5	56
TMR_00142	tmRNA links to Rfam database...	0.56	0.47	0.67	48	70804	31	9	15	7	54
TMR_00207	tmRNA links to Rfam database...	0.52	0.39	0.70	40	72333	21	4	13	4	63
TMR_00257	tmRNA links to Rfam database...	0.56	0.40	0.78	39	67111	16	3	8	5	59
TMR_00271	tmRNA links to Rfam database...	0.48	0.34	0.69	31	64216	21	7	7	7	60
TMR_00332	tmRNA links to Rfam database...	0.52	0.41	0.66	41	67099	22	6	15	1	58
TMR_00366	tmRNA links to Rfam database...	0.55	0.46	0.65	46	67825	36	12	13	11	54
TMR_00378	tmRNA links to Rfam database...	0.55	0.46	0.65	45	67827	35	8	16	11	52
TMR_00404	tmRNA links to Rfam database...	0.66	0.54	0.81	50	67466	20	4	8	8	42
TMR_00427	tmRNA links to Rfam database...	0.47	0.34	0.65	33	67477	20	7	11	2	64
TMR_00443	tmRNA links to Rfam database...	0.56	0.41	0.75	43	67104	14	6	8	0	61
TMR_00451	tmRNA links to Rfam database...	0.34	0.25	0.47	22	63499	29	10	15	4	67
TMR_00458	tmRNA links to Rfam database...	0.55	0.42	0.72	39	63492	15	7	8	0	54
TMR_00469	tmRNA links to Rfam database...	0.72	0.61	0.86	61	64549	11	4	6	1	39
TMR_00472	tmRNA links to Rfam database...	0.75	0.63	0.88	61	64551	13	2	6	5	36
TMR_00519	tmRNA links to Rfam database...	0.50	0.40	0.62	38	63129	27	14	9	4	57
TMR_00520	tmRNA links to Rfam database...	0.40	0.31	0.52	31	63130	33	12	17	4	68
TMR_00522	tmRNA links to Rfam database...	0.54	0.42	0.68	41	63130	24	9	10	5	56
TMR_00528	tmRNA links to Rfam database...	0.49	0.40	0.59	39	63124	31	12	15	4	58
TMR_00540	tmRNA links to Rfam database...	0.47	0.37	0.59	38	73472	26	10	16	0	66
TMR_00568	tmRNA links to Rfam database...	0.72	0.66	0.78	65	60643	26	2	16	8	34
TMR_00571	tmRNA links to Rfam database...	0.77	0.71	0.83	70	60642	22	2	12	8	29
TMR_00580	tmRNA links to Rfam database...	0.53	0.47	0.59	47	60647	40	3	29	8	53
TMR_00584	tmRNA links to Rfam database...	0.71	0.65	0.79	63	60995	25	3	14	8	34
TMR_00586	tmRNA links to Rfam database...	0.61	0.52	0.72	50	61006	26	5	14	7	47
TMR_00616	tmRNA links to Rfam database...	0.66	0.57	0.77	56	67088	23	3	14	6	43
TMR_00699	tmRNA links to Rfam database...	0.54	0.38	0.76	39	67110	13	3	9	1	63
TMR_00702	tmRNA links to Rfam database...	0.42	0.32	0.56	32	67104	28	3	22	3	68
TMR_00703	tmRNA links to Rfam database...	0.56	0.41	0.76	41	67474	18	3	10	5	58

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Performance of UNAFold - scored lower in this pairwise comparison

1. Total counts & total scores for UNAFold

Total Base Pair Counts
Total TP	1728
Total TN	2917223
Total FP	3147
Total FP CONTRA	500
Total FP INCONS	2335
Total FP COMP	312
Total FN	2838

Total Scores
MCC	0.378
Average MCC ± 95% Confidence Intervals	0.400 ± 0.053
Sensitivity	0.378
Positive Predictive Value	0.379
Nr of predictions	50

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

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00064	RNaseP_bact_a links to Rfam database...	0.32	0.31	0.32	28	45363	69	4	56	9	61
ASE_00090	RNaseP_bact_a links to Rfam database...	0.59	0.59	0.59	60	55509	47	2	40	5	41
ASE_00135	RNaseP_bact_a links to Rfam database...	0.46	0.45	0.47	49	63085	59	8	48	3	60
ASE_00153	RNaseP_nuc links to Rfam database...	0.67	0.68	0.66	50	57554	68	2	24	42	23
ASE_00215	RNaseP_bact_a links to Rfam database...	0.58	0.55	0.62	54	48429	35	7	26	2	45
ASE_00328	RNaseP_bact_b links to Rfam database...	0.40	0.40	0.41	45	72660	73	3	63	7	67
ASE_00361	RNaseP_bact_a links to Rfam database...	0.49	0.46	0.51	59	75351	59	7	49	3	68
ASE_00441	RNaseP_bact_a links to Rfam database...	0.77	0.72	0.82	81	64162	30	2	16	12	31
PDB_00571	tRNA links to Rfam database...	0.21	0.20	0.24	5	3300	16	6	10	0	20
PDB_00828	Purine links to Rfam database...	0.88	0.78	1.00	21	2464	0	0	0	0	6
PDB_00829	Purine links to Rfam database...	0.86	0.75	1.00	18	2260	0	0	0	0	6
PDB_01020	Purine links to Rfam database...	0.86	0.74	1.00	17	2261	1	0	0	1	6
PDB_01073	SAM links to Rfam database...	0.52	0.47	0.57	16	4343	13	2	10	1	18
TMR_00017	tmRNA links to Rfam database...	0.38	0.38	0.39	39	67060	68	15	47	6	63
TMR_00018	tmRNA links to Rfam database...	0.25	0.26	0.24	24	64521	81	11	64	6	68
TMR_00042	tmRNA links to Rfam database...	0.29	0.30	0.29	29	62736	73	8	62	3	69
TMR_00046	tmRNA links to Rfam database...	0.56	0.56	0.57	54	62740	47	7	34	6	42
TMR_00048	tmRNA links to Rfam database...	0.33	0.35	0.31	33	64874	78	9	64	5	62
TMR_00080	tmRNA links to Rfam database...	0.61	0.61	0.61	59	70403	41	10	28	3	37
TMR_00082	tmRNA links to Rfam database...	0.59	0.58	0.60	56	67802	43	12	26	5	40
TMR_00123	tmRNA links to Rfam database...	0.17	0.17	0.17	17	66327	92	11	75	6	84
TMR_00137	tmRNA links to Rfam database...	0.16	0.17	0.16	15	60979	89	14	67	8	74
TMR_00142	tmRNA links to Rfam database...	0.57	0.61	0.54	62	70761	53	21	32	0	40
TMR_00207	tmRNA links to Rfam database...	0.25	0.24	0.26	25	72292	80	6	67	7	78
TMR_00257	tmRNA links to Rfam database...	0.20	0.19	0.20	19	67068	78	8	66	4	79
TMR_00271	tmRNA links to Rfam database...	0.47	0.46	0.48	42	64173	54	7	39	8	49
TMR_00332	tmRNA links to Rfam database...	0.28	0.27	0.29	27	67067	71	14	53	4	72
TMR_00366	tmRNA links to Rfam database...	0.31	0.30	0.31	30	67800	79	10	56	13	70
TMR_00378	tmRNA links to Rfam database...	0.29	0.30	0.28	29	67792	86	7	68	11	68
TMR_00404	tmRNA links to Rfam database...	0.21	0.23	0.20	21	67425	94	23	59	12	71
TMR_00427	tmRNA links to Rfam database...	0.33	0.33	0.33	32	67430	69	11	55	3	65
TMR_00443	tmRNA links to Rfam database...	0.37	0.38	0.36	39	67053	71	13	56	2	65
TMR_00451	tmRNA links to Rfam database...	0.22	0.24	0.21	21	63448	83	14	63	6	68
TMR_00458	tmRNA links to Rfam database...	0.15	0.15	0.15	14	63450	89	19	63	7	79
TMR_00469	tmRNA links to Rfam database...	0.40	0.41	0.39	41	64514	65	11	54	0	59
TMR_00472	tmRNA links to Rfam database...	0.33	0.33	0.33	32	64523	77	10	55	12	65
TMR_00519	tmRNA links to Rfam database...	0.19	0.20	0.18	19	63084	97	18	69	10	76
TMR_00520	tmRNA links to Rfam database...	0.46	0.46	0.46	46	63090	64	12	42	10	53
TMR_00522	tmRNA links to Rfam database...	0.36	0.36	0.36	35	63094	70	11	50	9	62
TMR_00528	tmRNA links to Rfam database...	0.30	0.31	0.29	30	63086	84	20	54	10	67
TMR_00540	tmRNA links to Rfam database...	0.42	0.41	0.43	43	73435	66	10	48	8	61
TMR_00568	tmRNA links to Rfam database...	0.35	0.34	0.37	34	60633	65	9	50	6	65
TMR_00571	tmRNA links to Rfam database...	0.32	0.32	0.32	32	60626	75	12	56	7	67
TMR_00580	tmRNA links to Rfam database...	0.26	0.26	0.25	26	60624	77	19	57	1	74
TMR_00584	tmRNA links to Rfam database...	0.52	0.51	0.53	49	60982	55	7	37	11	48
TMR_00586	tmRNA links to Rfam database...	0.23	0.25	0.22	24	60965	87	18	68	1	73
TMR_00616	tmRNA links to Rfam database...	0.35	0.34	0.35	34	67064	68	14	49	5	65
TMR_00699	tmRNA links to Rfam database...	0.39	0.37	0.40	38	67066	61	7	50	4	64
TMR_00702	tmRNA links to Rfam database...	0.19	0.19	0.20	19	67065	80	17	60	3	81
TMR_00703	tmRNA links to Rfam database...	0.36	0.36	0.37	36	67430	67	12	50	5	63

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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 RNASampler(20) - scored higher in this pairwise comparison

1. Total counts & total scores for RNASampler(20)

2. Individual counts for RNASampler(20) [ download as .csv ]

Performance of UNAFold - scored lower in this pairwise comparison

1. Total counts & total scores for UNAFold

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