CompaRNA - on-line benchmarks of RNA structure prediction methods

Laboratory of Structural Bioinformatics @ Adam Mickiewicz University in Poznan

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Overview

Metric	CentroidAlifold(20)		NanoFolder
MCC	0.713	>	0.152
Average MCC ± 95% Confidence Intervals	0.720 ± 0.025	>	0.151 ± 0.030
Sensitivity	0.562	>	0.174
Positive Predictive Value	0.906	>	0.135
Total TP	2931	>	910
Total TN	2963043	>	2959560
Total FP	355	<	5926
Total FP CONTRA	59	<	786
Total FP INCONS	246	<	5023
Total FP COMP	50	<	117
Total FN	2286	<	4307
P-value	3.56938820447e-08

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Performance plots

Comparison of performance of CentroidAlifold(20) and NanoFolder. 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 CentroidAlifold(20) and NanoFolder).
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 CentroidAlifold(20) and NanoFolder).
Comparison of average Matthews Correlation Coefficients (MCCs) for CentroidAlifold(20) and NanoFolder. 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 CentroidAlifold(20) and NanoFolder).

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

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

Total Base Pair Counts
Total TP	2931
Total TN	2963043
Total FP	355
Total FP CONTRA	59
Total FP INCONS	246
Total FP COMP	50
Total FN	2286

Total Scores
MCC	0.713
Average MCC ± 95% Confidence Intervals	0.720 ± 0.025
Sensitivity	0.562
Positive Predictive Value	0.906
Nr of predictions	51

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

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00083	RNaseP_bact_a links to Rfam database...	0.73	0.55	0.98	60	62420	1	0	1	0	50
ASE_00185	RNaseP_bact_a links to Rfam database...	0.63	0.41	0.96	53	73481	2	1	1	0	75
ASE_00190	RNaseP_bact_b links to Rfam database...	0.75	0.56	1.00	50	45401	2	0	0	2	40
ASE_00221	RNaseP_bact_a links to Rfam database...	0.84	0.73	0.97	85	64532	3	0	3	0	32
ASE_00228	RNaseP_bact_a links to Rfam database...	0.74	0.62	0.88	53	46911	8	3	4	1	33
ASE_00229	RNaseP_bact_a links to Rfam database...	0.77	0.60	0.98	52	42433	3	0	1	2	35
ASE_00231	RNaseP_bact_a links to Rfam database...	0.64	0.48	0.87	46	47842	7	0	7	0	50
ASE_00234	RNaseP_bact_a links to Rfam database...	0.58	0.42	0.82	54	75400	12	5	7	0	75
ASE_00238	RNaseP_bact_a links to Rfam database...	0.55	0.40	0.75	46	64200	15	3	12	0	68
ASE_00248	RNaseP_bact_a links to Rfam database...	0.84	0.72	0.99	82	62398	2	0	1	1	32
ASE_00254	RNaseP_bact_a links to Rfam database...	0.83	0.70	0.98	57	36798	1	0	1	0	25
ASE_00255	RNaseP_bact_a links to Rfam database...	0.57	0.41	0.79	53	74624	14	0	14	0	77
ASE_00257	RNaseP_bact_a links to Rfam database...	0.66	0.51	0.86	49	50983	8	2	6	0	48
ASE_00267	RNaseP_bact_a links to Rfam database...	0.82	0.67	1.00	59	45091	1	0	0	1	29
ASE_00270	RNaseP_bact_a links to Rfam database...	0.56	0.35	0.90	45	72340	6	0	5	1	83
ASE_00274	RNaseP_bact_a links to Rfam database...	0.65	0.47	0.91	48	55558	5	3	2	0	55
ASE_00277	RNaseP_bact_a links to Rfam database...	0.62	0.47	0.83	43	48153	9	2	7	0	48
ASE_00279	RNaseP_bact_a links to Rfam database...	0.78	0.63	0.96	64	53234	3	0	3	0	37
ASE_00285	RNaseP_bact_a links to Rfam database...	0.73	0.56	0.94	68	68934	4	2	2	0	54
ASE_00287	RNaseP_bact_a links to Rfam database...	0.67	0.53	0.83	55	54880	11	0	11	0	48
ASE_00294	RNaseP_bact_a links to Rfam database...	0.71	0.52	0.96	89	114388	5	0	4	1	82
ASE_00298	RNaseP_bact_a links to Rfam database...	0.72	0.54	0.97	61	67465	2	1	1	0	52
ASE_00318	RNaseP_bact_b links to Rfam database...	0.79	0.63	0.99	74	80125	8	0	1	7	44
ASE_00335	RNaseP_bact_b links to Rfam database...	0.74	0.59	0.92	69	75391	13	0	6	7	47
ASE_00340	RNaseP_bact_a links to Rfam database...	0.75	0.61	0.93	52	46000	8	0	4	4	33
ASE_00367	RNaseP_bact_a links to Rfam database...	0.84	0.71	1.00	61	43010	1	0	0	1	25
ASE_00370	RNaseP_bact_a links to Rfam database...	0.76	0.60	0.96	50	41853	2	0	2	0	34
ASE_00372	RNaseP_bact_a links to Rfam database...	0.75	0.57	0.98	57	51945	1	0	1	0	43
ASE_00376	RNaseP_bact_a links to Rfam database...	0.72	0.55	0.94	58	56891	4	0	4	0	47
ASE_00377	RNaseP_bact_a links to Rfam database...	0.66	0.50	0.88	53	57570	7	1	6	0	54
ASE_00386	RNaseP_bact_a links to Rfam database...	0.74	0.56	0.98	54	50348	1	0	1	0	42
ASE_00393	RNaseP_bact_a links to Rfam database...	0.72	0.58	0.90	54	47835	6	0	6	0	39
ASE_00412	RNaseP_bact_a links to Rfam database...	0.54	0.40	0.72	42	58253	16	2	14	0	63
ASE_00413	RNaseP_bact_a links to Rfam database...	0.77	0.64	0.93	52	44495	5	3	1	1	29
ASE_00416	RNaseP_bact_a links to Rfam database...	0.73	0.58	0.93	74	77341	6	1	5	0	53
ASE_00422	RNaseP_bact_a links to Rfam database...	0.69	0.56	0.84	53	46908	11	0	10	1	41
ASE_00428	RNaseP_bact_a links to Rfam database...	0.76	0.64	0.90	80	76547	9	1	8	0	45
ASE_00430	RNaseP_bact_a links to Rfam database...	0.74	0.57	0.96	55	46914	2	0	2	0	42
ASE_00437	RNaseP_bact_a links to Rfam database...	0.56	0.46	0.68	62	79310	29	0	29	0	73
ASE_00451	RNaseP_bact_a links to Rfam database...	0.79	0.66	0.95	82	70790	4	0	4	0	43
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...	0.88	0.78	1.00	21	2464	0	0	0	0	6
TMR_00123	tmRNA links to Rfam database...	0.79	0.64	0.97	65	66363	3	1	1	1	36
TMR_00399	tmRNA links to Rfam database...	0.60	0.49	0.74	46	64918	16	6	10	0	48
TMR_00443	tmRNA links to Rfam database...	0.73	0.58	0.92	60	67096	6	0	5	1	44
TMR_00469	tmRNA links to Rfam database...	0.79	0.69	0.91	69	64544	10	6	1	3	31
TMR_00519	tmRNA links to Rfam database...	0.63	0.53	0.75	50	63123	19	5	12	2	45
TMR_00528	tmRNA links to Rfam database...	0.67	0.54	0.84	52	63128	15	4	6	5	45
TMR_00571	tmRNA links to Rfam database...	0.80	0.71	0.91	70	60649	12	1	6	5	29
TMR_00584	tmRNA links to Rfam database...	0.80	0.70	0.91	68	61000	10	3	4	3	29
TMR_00703	tmRNA links to Rfam database...	0.71	0.57	0.90	56	67466	6	2	4	0	43

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Performance of NanoFolder - scored lower in this pairwise comparison

1. Total counts & total scores for NanoFolder

Total Base Pair Counts
Total TP	910
Total TN	2959560
Total FP	5926
Total FP CONTRA	786
Total FP INCONS	5023
Total FP COMP	117
Total FN	4307

Total Scores
MCC	0.152
Average MCC ± 95% Confidence Intervals	0.151 ± 0.030
Sensitivity	0.174
Positive Predictive Value	0.135
Nr of predictions	51

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

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
ASE_00083	RNaseP_bact_a links to Rfam database...	0.22	0.25	0.20	27	62347	108	12	95	1	83
ASE_00185	RNaseP_bact_a links to Rfam database...	0.17	0.19	0.16	24	73382	134	14	116	4	104
ASE_00190	RNaseP_bact_b links to Rfam database...	0.24	0.28	0.21	25	45334	93	14	78	1	65
ASE_00221	RNaseP_bact_a links to Rfam database...	0.20	0.21	0.18	25	64484	112	10	101	1	92
ASE_00228	RNaseP_bact_a links to Rfam database...	0.05	0.06	0.04	5	46858	109	17	91	1	81
ASE_00229	RNaseP_bact_a links to Rfam database...	0.12	0.14	0.11	12	42380	97	12	82	3	75
ASE_00231	RNaseP_bact_a links to Rfam database...	0.37	0.42	0.33	40	47773	84	17	65	2	56
ASE_00234	RNaseP_bact_a links to Rfam database...	0.25	0.27	0.23	35	75315	117	10	106	1	94
ASE_00238	RNaseP_bact_a links to Rfam database...	0.26	0.30	0.23	34	64111	119	18	98	3	80
ASE_00248	RNaseP_bact_a links to Rfam database...	0.13	0.15	0.12	17	62340	124	9	115	0	97
ASE_00254	RNaseP_bact_a links to Rfam database...	0.15	0.16	0.14	13	36761	88	3	79	6	69
ASE_00255	RNaseP_bact_a links to Rfam database...	0.11	0.12	0.10	16	74530	146	16	129	1	114
ASE_00257	RNaseP_bact_a links to Rfam database...	0.37	0.42	0.33	41	50917	85	15	67	3	56
ASE_00267	RNaseP_bact_a links to Rfam database...	0.00	0.00	0.00	0	45036	115	9	105	1	88
ASE_00270	RNaseP_bact_a links to Rfam database...	0.19	0.21	0.17	27	72232	132	14	117	1	101
ASE_00274	RNaseP_bact_a links to Rfam database...	0.00	0.00	0.00	0	55487	126	12	112	2	103
ASE_00277	RNaseP_bact_a links to Rfam database...	0.10	0.12	0.08	11	48071	123	23	100	0	80
ASE_00279	RNaseP_bact_a links to Rfam database...	0.14	0.16	0.13	16	53177	109	16	92	1	85
ASE_00285	RNaseP_bact_a links to Rfam database...	0.34	0.36	0.31	44	68866	98	14	82	2	78
ASE_00287	RNaseP_bact_a links to Rfam database...	0.15	0.17	0.14	17	54824	107	14	91	2	86
ASE_00294	RNaseP_bact_a links to Rfam database...	0.12	0.13	0.12	23	114287	172	11	160	1	148
ASE_00298	RNaseP_bact_a links to Rfam database...	0.09	0.10	0.08	11	67389	129	8	120	1	102
ASE_00318	RNaseP_bact_b links to Rfam database...	0.03	0.04	0.03	5	80039	156	21	135	0	113
ASE_00335	RNaseP_bact_b links to Rfam database...	0.10	0.12	0.09	14	75304	151	22	126	3	102
ASE_00340	RNaseP_bact_a links to Rfam database...	0.06	0.07	0.05	6	45943	110	13	94	3	79
ASE_00367	RNaseP_bact_a links to Rfam database...	0.08	0.09	0.07	8	42960	110	10	93	7	78
ASE_00370	RNaseP_bact_a links to Rfam database...	0.03	0.04	0.03	3	41796	109	18	88	3	81
ASE_00372	RNaseP_bact_a links to Rfam database...	0.17	0.20	0.15	20	51871	113	19	93	1	80
ASE_00376	RNaseP_bact_a links to Rfam database...	0.00	0.00	0.00	0	56822	136	9	122	5	105
ASE_00377	RNaseP_bact_a links to Rfam database...	0.25	0.27	0.23	29	57505	98	10	86	2	78
ASE_00386	RNaseP_bact_a links to Rfam database...	0.14	0.16	0.13	15	50284	106	9	95	2	81
ASE_00393	RNaseP_bact_a links to Rfam database...	0.31	0.35	0.27	33	47773	90	18	71	1	60
ASE_00412	RNaseP_bact_a links to Rfam database...	0.15	0.17	0.14	18	58183	111	14	96	1	87
ASE_00413	RNaseP_bact_a links to Rfam database...	0.08	0.10	0.07	8	44438	108	19	86	3	73
ASE_00416	RNaseP_bact_a links to Rfam database...	0.39	0.43	0.35	54	77267	103	18	82	3	73
ASE_00422	RNaseP_bact_a links to Rfam database...	0.28	0.31	0.25	29	46856	87	9	77	1	65
ASE_00428	RNaseP_bact_a links to Rfam database...	0.24	0.26	0.22	33	76483	121	13	107	1	92
ASE_00430	RNaseP_bact_a links to Rfam database...	0.16	0.18	0.14	17	46852	102	10	92	0	80
ASE_00437	RNaseP_bact_a links to Rfam database...	0.00	0.00	0.00	0	79238	164	12	151	1	135
ASE_00451	RNaseP_bact_a links to Rfam database...	0.20	0.22	0.19	27	70731	118	8	110	0	98
PDB_00571	tRNA links to Rfam database...	-0.01	0.00	0.00	0	3286	36	6	29	1	25
PDB_00828	Purine links to Rfam database...	0.30	0.33	0.28	9	2453	23	0	23	0	18
TMR_00123	tmRNA links to Rfam database...	0.19	0.23	0.16	23	66283	126	20	104	2	78
TMR_00399	tmRNA links to Rfam database...	0.20	0.26	0.16	24	64833	130	38	85	7	70
TMR_00443	tmRNA links to Rfam database...	0.17	0.20	0.15	21	67018	126	24	98	4	83
TMR_00469	tmRNA links to Rfam database...	0.10	0.12	0.08	12	64469	145	27	112	6	88
TMR_00519	tmRNA links to Rfam database...	0.04	0.05	0.03	5	63046	141	33	106	2	90
TMR_00528	tmRNA links to Rfam database...	0.13	0.15	0.11	15	63051	131	20	104	7	82
TMR_00571	tmRNA links to Rfam database...	0.05	0.06	0.04	6	60577	149	19	124	6	93
TMR_00584	tmRNA links to Rfam database...	0.01	0.01	0.01	1	60922	159	33	119	7	96
TMR_00703	tmRNA links to Rfam database...	0.10	0.12	0.08	12	67376	140	26	114	0	87

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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 CentroidAlifold(20) - scored higher in this pairwise comparison

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

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

Performance of NanoFolder - scored lower in this pairwise comparison

1. Total counts & total scores for NanoFolder

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