CompaRNA - on-line benchmarks of RNA structure prediction methods

Laboratory of Structural Bioinformatics @ Adam Mickiewicz University in Poznan

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Overview

Metric	HotKnots		PPfold(seed)
MCC	0.702	>	0.380
Average MCC ± 95% Confidence Intervals	0.663 ± 0.101	>	0.300 ± 0.117
Sensitivity	0.713	>	0.170
Positive Predictive Value	0.697	<	0.852
Total TP	652	>	156
Total TN	126752	<	127505
Total FP	333	>	34
Total FP CONTRA	49	>	6
Total FP INCONS	235	>	21
Total FP COMP	49	>	7
Total FN	263	<	759
P-value	3.56938820447e-08

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Performance plots

Comparison of performance of HotKnots and PPfold(seed). 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 PPfold(seed)).
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 PPfold(seed)).
Comparison of average Matthews Correlation Coefficients (MCCs) for HotKnots and PPfold(seed). 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 PPfold(seed)).

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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	652
Total TN	126752
Total FP	333
Total FP CONTRA	49
Total FP INCONS	235
Total FP COMP	49
Total FN	263

Total Scores
MCC	0.702
Average MCC ± 95% Confidence Intervals	0.663 ± 0.101
Sensitivity	0.713
Positive Predictive Value	0.697
Nr of predictions	40

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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
PDB_01001	tRNA links to Rfam database...	0.52	0.56	0.50	10	2125	10	3	7	0	8
RFA_00390	Hammerhead_3 links to Rfam database...	1.00	1.00	1.00	15	1416	2	0	0	2	0
RFA_00416	Hammerhead_3 links to Rfam database...	0.93	0.93	0.93	14	1470	4	0	1	3	1
RFA_00433	Hammerhead_3 links to Rfam database...	1.00	1.00	1.00	15	1416	2	0	0	2	0
RFA_00654	Vimentin3 links to Rfam database...	0.27	0.28	0.28	5	2397	13	2	11	0	13
RFA_00658	Hammerhead_1 links to Rfam database...	0.59	0.50	0.70	7	1118	5	0	3	2	7
RFA_00664	Hammerhead_1 links to Rfam database...	-0.01	0.00	0.00	0	980	11	0	10	1	14
RFA_00708	Hammerhead_1 links to Rfam database...	0.30	0.29	0.33	4	1023	10	0	8	2	10
RFA_00749	s2m links to Rfam database...	0.66	0.67	0.67	8	891	5	1	3	1	4
RFA_00764	s2m links to Rfam database...	0.66	0.67	0.67	8	891	5	1	3	1	4
RFA_00765	s2m links to Rfam database...	0.75	0.75	0.75	9	891	5	0	3	2	3
RFA_00767	Corona_pk3 links to Rfam database...	0.93	1.00	0.86	18	1870	3	3	0	0	0
RFA_00768	Corona_pk3 links to Rfam database...	1.00	1.00	1.00	18	1873	0	0	0	0	0
RFA_00769	Corona_pk3 links to Rfam database...	-0.01	0.00	0.00	0	1934	21	0	19	2	18
RFA_00770	Corona_pk3 links to Rfam database...	-0.01	0.00	0.00	0	1999	20	0	17	3	18
RFA_00773	Corona_pk3 links to Rfam database...	-0.01	0.00	0.00	0	1934	22	0	19	3	18
RFA_00779	Corona_pk3 links to Rfam database...	0.87	0.94	0.81	17	1932	4	3	1	0	1
RFA_00808	RydC links to Rfam database...	1.00	1.00	1.00	16	2000	0	0	0	0	0
RFA_00809	RydC links to Rfam database...	0.79	0.81	0.76	13	2128	4	0	4	0	3
SPR_00020	tRNA links to Rfam database...	0.76	0.80	0.73	16	2679	8	2	4	2	4
SPR_00137	tRNA links to Rfam database...	0.56	0.62	0.52	13	2901	15	4	8	3	8
SPR_00277	tRNA links to Rfam database...	0.98	0.95	1.00	20	2906	0	0	0	0	1
SPR_00394	tRNA links to Rfam database...	0.30	0.33	0.28	7	3630	20	8	10	2	14
SPR_00402	tRNA links to Rfam database...	0.67	0.62	0.72	13	2538	5	0	5	0	8
SPR_00721	tRNA links to Rfam database...	0.48	0.52	0.44	11	2901	14	3	11	0	10
SPR_00816	tRNA links to Rfam database...	0.31	0.35	0.28	7	3461	21	5	13	3	13
SPR_01157	tRNA links to Rfam database...	0.54	0.57	0.52	12	2752	12	0	11	1	9
SRP_00020	Bacteria_small_SRP links to Rfam database...	0.86	0.88	0.85	29	5531	5	1	4	0	4
SRP_00058	Bacteria_small_SRP links to Rfam database...	0.90	0.91	0.89	31	5743	8	1	3	4	3
SRP_00084	Bacteria_small_SRP links to Rfam database...	0.87	0.88	0.86	30	5425	5	1	4	0	4
SRP_00105	Bacteria_small_SRP links to Rfam database...	0.38	0.38	0.39	13	5532	20	3	17	0	21
SRP_00134	Bacteria_large_SRP links to Rfam database...	0.51	0.55	0.48	16	5962	23	3	14	6	13
SRP_00141	Bacteria_small_SRP links to Rfam database...	0.91	0.90	0.93	37	6288	3	1	2	0	4
SRP_00231	Bacteria_small_SRP links to Rfam database...	0.87	0.88	0.86	30	5425	5	1	4	0	4
SRP_00273	Bacteria_small_SRP links to Rfam database...	0.91	0.93	0.90	37	6745	6	1	3	2	3
SRP_00274	Bacteria_small_SRP links to Rfam database...	0.96	0.97	0.95	37	6864	3	1	1	1	1
SRP_00285	Bacteria_small_SRP links to Rfam database...	0.91	0.87	0.96	26	3714	1	0	1	0	4
SRP_00338	Bacteria_small_SRP links to Rfam database...	0.94	0.94	0.94	34	5424	2	0	2	0	2
SRP_00341	Bacteria_small_SRP links to Rfam database...	0.74	0.74	0.74	23	4722	8	0	8	0	8
SRP_00357	Bacteria_small_SRP links to Rfam database...	0.93	0.92	0.94	33	5321	3	1	1	1	3

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Performance of PPfold(seed) - scored lower in this pairwise comparison

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

Total Base Pair Counts
Total TP	156
Total TN	127505
Total FP	34
Total FP CONTRA	6
Total FP INCONS	21
Total FP COMP	7
Total FN	759

Total Scores
MCC	0.380
Average MCC ± 95% Confidence Intervals	0.300 ± 0.117
Sensitivity	0.170
Positive Predictive Value	0.852
Nr of predictions	40

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

RNA Chain	Rfam family	MCC	SENS	PPV	TP	TN	FP	FP CONTRA	FP INCONS	FP COMP	FN
PDB_01001	tRNA links to Rfam database...	0.00	0.00	0.00	0	2145	0	0	0	0	18
RFA_00390	Hammerhead_3 links to Rfam database...	1.00	1.00	1.00	15	1416	1	0	0	1	0
RFA_00416	Hammerhead_3 links to Rfam database...	1.00	1.00	1.00	15	1470	1	0	0	1	0
RFA_00433	Hammerhead_3 links to Rfam database...	1.00	1.00	1.00	15	1416	2	0	0	2	0
RFA_00654	Vimentin3 links to Rfam database...	0.23	0.17	0.33	3	2406	6	0	6	0	15
RFA_00658	Hammerhead_1 links to Rfam database...	0.38	0.14	1.00	2	1126	1	0	0	1	12
RFA_00664	Hammerhead_1 links to Rfam database...	0.38	0.14	1.00	2	988	1	0	0	1	12
RFA_00708	Hammerhead_1 links to Rfam database...	0.38	0.14	1.00	2	1033	1	0	0	1	12
RFA_00749	s2m links to Rfam database...	0.78	0.75	0.82	9	892	2	0	2	0	3
RFA_00764	s2m links to Rfam database...	0.78	0.75	0.82	9	892	2	0	2	0	3
RFA_00765	s2m links to Rfam database...	0.78	0.75	0.82	9	892	2	0	2	0	3
RFA_00767	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	1879	2	1	1	0	8
RFA_00768	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	1879	2	1	1	0	8
RFA_00769	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	1941	2	1	1	0	8
RFA_00770	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	2004	2	1	1	0	8
RFA_00773	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	1941	2	1	1	0	8
RFA_00779	Corona_pk3 links to Rfam database...	0.68	0.56	0.83	10	1941	2	1	1	0	8
RFA_00808	RydC links to Rfam database...	0.75	0.56	1.00	9	2007	0	0	0	0	7
RFA_00809	RydC links to Rfam database...	0.50	0.38	0.67	6	2136	3	0	3	0	10
SPR_00020	tRNA links to Rfam database...	0.00	0.00	0.00	0	2701	0	0	0	0	20
SPR_00137	tRNA links to Rfam database...	0.00	0.00	0.00	0	2926	0	0	0	0	21
SPR_00277	tRNA links to Rfam database...	0.00	0.00	0.00	0	2926	0	0	0	0	21
SPR_00394	tRNA links to Rfam database...	0.00	0.00	0.00	0	3655	0	0	0	0	21
SPR_00402	tRNA links to Rfam database...	0.00	0.00	0.00	0	2556	0	0	0	0	21
SPR_00721	tRNA links to Rfam database...	0.00	0.00	0.00	0	2926	0	0	0	0	21
SPR_00816	tRNA links to Rfam database...	0.00	0.00	0.00	0	3486	0	0	0	0	20
SPR_01157	tRNA links to Rfam database...	0.00	0.00	0.00	0	2775	0	0	0	0	21
SRP_00020	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5565	0	0	0	0	33
SRP_00058	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5778	0	0	0	0	34
SRP_00084	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5460	0	0	0	0	34
SRP_00105	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5565	0	0	0	0	34
SRP_00134	Bacteria_large_SRP links to Rfam database...	0.00	0.00	0.00	0	5995	0	0	0	0	29
SRP_00141	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	6328	0	0	0	0	41
SRP_00231	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5460	0	0	0	0	34
SRP_00273	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	6786	0	0	0	0	40
SRP_00274	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	6903	0	0	0	0	38
SRP_00285	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	3741	0	0	0	0	30
SRP_00338	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5460	0	0	0	0	36
SRP_00341	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	4753	0	0	0	0	31
SRP_00357	Bacteria_small_SRP links to Rfam database...	0.00	0.00	0.00	0	5356	0	0	0	0	36

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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 HotKnots - scored higher in this pairwise comparison

1. Total counts & total scores for HotKnots

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

Performance of PPfold(seed) - scored lower in this pairwise comparison

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

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