Table 1.

HDX-MS data experimentally-obtained for C3d. Results are reported as percentage of deuterium uptake (i.e., ratio of effective deuterium uptake over maximal deuterium uptake) at seven time points for the 86 peptides extracted from C3d. The first two and last three peptides are not used in the attempts to computationally reproduce this data.

	time points (min)
	0.17	0.5	1.7	5	17	50	167
[1–16]	67	76	86	95	97	99	100
[1–25]	64	70	80	90	97	100	100
[26–40]	6	6	7	10	16	28	46
[26–43]	8	11	16	22	30	40	55
[28–43]	12	15	20	26	33	41	51
[33–40]	9	9	9	10	13	19	34
[33–43]	14	20	29	40	50	55	64
[34–43]	15	23	34	46	57	64	73
[35–43]	15	24	35	48	60	66	74
[36–43]	18	27	42	58	72	78	85
[41–58]	68	69	71	74	79	84	90
[44–56]	78	79	81	82	85	90	94
[44–57]	73	74	75	77	83	90	96
[44–58]	65	66	67	69	74	83	90
[50–57]	35	36	40	44	51	58	71
[50–58]	43	45	46	49	57	68	79
[57–68]	6	7	10	15	21	29	51
[58–66]	7	7	7	8	12	16	50
[58–67]	4	5	5	6	8	13	48
[58–68]	6	8	11	17	22	31	56
[59–66]	6	6	7	8	10	24	48
[59–67]	5	5	5	6	9	14	48
[59–68]	6	8	11	17	23	31	56
[67–75]	25	26	30	41	60	85	99
[67–76]	20	21	25	35	56	78	97
[67–78]	14	17	22	35	52	71	92
[68–75]	28	29	34	44	67	85	98
[68–76]	24	25	29	40	61	82	96
[69–75]	32	34	38	50	73	89	99
[69–76]	26	28	31	42	65	84	99
[78–89]	39	45	51	53	55	61	70
[79–88]	46	54	61	62	65	72	83
[79–91]	34	40	45	46	50	54	63
[80–91]	28	34	39	41	44	50	59
[91–98]	3	3	3	4	4	4	5
[91–99]	1	1	2	2	2	2	5
[92–98]	3	3	4	4	4	4	4
[92–102]	19	23	30	34	35	39	47
[103–110]	69	76	86	93	96	98	98
[103–113]	52	59	72	79	84	89	95
[113–119]	3	3	3	3	4	4	4
[117–128]	9	10	11	14	24	39	63
[120–128]	15	15	17	18	22	32	56
[120–139]	31	35	42	53	64	72	80
[129–137]	32	38	47	60	73	80	82
[129–139]	37	43	54	71	83	90	92
[140–150]	65	67	75	82	90	95	97
[140–153]	53	55	60	69	83	95	98
[140–155]	47	48	53	62	75	86	89
[157–166]	17	18	20	25	39	54	70
[157–169]	26	32	40	47	58	70	81
[159–166]	19	20	23	30	45	62	79
[159–169]	33	40	49	56	67	79	88
[159–170]	34	40	49	58	67	79	88
[159–185]	44	51	59	65	73	80	85
[170–184]	45	53	64	72	79	82	85
[170–185]	43	50	60	66	73	76	80
[170–186]	41	48	56	65	70	73	77
[171–184]	45	51	61	71	75	79	83
[191–200]	69	75	81	86	91	94	96
[194–203]	41	51	56	69	77	81	83
[201–217]	39	44	56	69	78	87	94
[201–220]	33	38	51	63	73	81	86
[202–220]	33	39	54	66	75	83	88
[204–217]	41	46	58	70	79	88	94
[204–220]	34	40	54	66	76	85	89
[207–217]	48	53	68	82	87	92	94
[207–220]	38	45	61	73	81	86	88
[210–220]	36	43	62	73	79	83	84
[221–241]	63	76	90	97	98	99	99
[221–242]	60	72	86	92	94	96	98
[242–247]	3	4	4	4	4	5	5
[249–268]	18	21	26	30	34	41	54
[251–265]	28	33	37	39	44	52	67
[252–268]	20	24	28	33	40	47	61
[256–265]	8	13	16	20	29	41	62
[256–268]	6	9	14	20	28	37	54
[256–280]	47	52	56	61	65	70	78
[257–268]	4	5	8	15	24	32	50
[258–268]	3	4	8	14	19	25	44
[260–268]	3	4	7	13	18	24	43
[269–280]	93	96	97	97	97	97	98
[269–283]	71	74	77	81	83	86	93
[284–297]	23	29	33	35	38	42	48
[287–297]	35	46	51	52	55	61	68
[290–297]	55	73	81	83	87	94	99