Table 4.

The average accuracies and success rates of MODPEP, PEP-FOLD3, Balloon, and RDKit in reproducing protein-bound conformations for the peptides with different lengths when an ensemble of 200 conformations were considered for each peptide

Peptide		cRMSD (Å)				Success rate (%)
Length	Number	MODPEP	PEP-FOLD3	Balloon	RDkit	MODPEP	PEP-FOLD3	Balloon	RDkit
3	11	0.04	0.00	0.27	0.07	100	0.0	100	100
4	43	0.21	0.00	0.53	0.28	100	0.0	100	100
5	32	0.45	2.00	0.96	0.57	100	31.2	96.9	96.9
6	47	0.65	2.18	1.47	1.03	97.9	31.9	61.7	87.2
7	49	0.96	2.88	2.21	1.21	100	24.5	30.6	79.6
8	60	1.29	2.94	2.70	1.75	95.0	25.0	26.7	73.3
9	138	1.56	3.32	3.34	1.82	97.8	15.2	8.0	79.7
10	60	1.67	2.80	3.61	2.20	96.7	30.0	6.7	61.7
11	62	2.04	3.17	3.78	2.81	77.4	25.8	4.8	43.5
12	40	2.09	2.48	3.57	3.22	52.5	47.5	20.0	12.5
13	50	2.29	3.40	4.53	3.56	58.0	36.0	6.0	32.0
14	45	2.64	3.66	5.13	3.67	48.9	37.8	2.2	26.7
15	33	2.58	3.71	5.59	3.99	36.4	30.3	0.0	18.2
16	29	2.66	3.39	5.49	4.61	41.4	34.5	0.0	3.4
17	12	2.56	3.50	6.33	5.41	50.0	50.0	0.0	0.0
18	25	2.93	3.61	5.73	5.78	44.0	32.0	0.0	4.0
19	21	2.38	3.05	6.24	5.49	61.9	52.4	0.0	4.8
20	16	3.14	4.51	6.78	6.37	50.0	18.8	0.0	0.0
21	21	3.05	3.09	5.24	8.99	42.9	52.4	0.0	0.0
22	21	2.43	2.92	6.09	7.46	61.9	47.6	0.0	4.8
23	10	3.01	5.05	7.20	0.00	50.0	10.0	0.0	0.0
24	17	3.11	4.12	7.07	4.41	47.1	41.2	0.0	0.0
25	15	2.71	4.41	7.48	0.00	60.0	33.3	0.0	0.0
26	10	2.77	3.68	7.84	0.00	40.0	40.0	0.0	0.0
27	10	3.95	5.33	8.53	0.00	30.0	30.0	0.0	0.0
28	14	3.05	4.57	7.89	6.15	42.9	28.6	0.0	0.0
29	14	4.24	5.47	7.92	9.77	21.4	28.6	0.0	0.0
30	5	2.72	6.38	8.32	0.00	60.0	0.0	0.0	0.0
All	910	1.90	3.28	4.04	2.63	74.3	30.1	19.2	46.8