. 2022 Dec 15;299(2):102799. doi: 10.1016/j.jbc.2022.102799

Table 4.

Summary of the molecular modeling of nine collagen peptides from SAXS and SANS

Collagen peptide	R_g (nm)				M (nm)			L (nm)			R factors (%)
	Linear model		Best-fit MD model		Linear model	Best-fit MD model		Linear model	Best-fit MD model		Linear model		Best-fit MD model
	SAXS	SANS	SAXS	SANS	Linear model	SAXS	SANS	Linear model	SAXS	SANS	SAXS	SANS	SAXS	SANS
MBL-C	2.19	2.24	2.31	2.19	0.98	1.12	1.10	9.0	8.9	7.8	5.0	11.9	2.8	11.5
MBL-N	2.22	2.21	1.73	2.18	0.97	1.50	0.98	8.6	6.8	8.8	16.9	10.4	14.3	9.8
MBL-E	2.37	2.43	2.43	2.30	0.99	1.40	1.40	10.0	9.2	8.1	12.0	12.4	6.5	12.4
MBL-12	2.88	2.80	2.96	2.69	1.07	1.50	1.50	11.3	11.1	10.1	7.4	13.6	6.8	11.7
(POG)₁₀	2.39	2.33	2.29	2.36	1.00	1.20	1.20	9.3	8.9	8.3	4.2	12.3	3.0	7.4
(POG)₁₃	2.90	3.26	3.05	2.99	1.00	1.29	1.17	11.6	11.6	10.8	7.9	13.4	7.3	11.7
(PPG)₁₀	2.32	n.a.	2.39	n.a.	1.00	1.28	n.a.	8.8	9.0	n.a.	5.7	n.a.	6.1	n.a.
G>A	2.42	n.a.	2.48	n.a.	0.96	1.28	n.a.	9.3	9.0	n.a.	3.3	n.a.	3.0	n.a.
T3-785	2.27	n.a.	2.29	n.a.	0.95	1.40	n.a.	8.7	9.0	n.a.	9.1	n.a.	5.9	n.a.

Analyses of the crystal-derived linear models and the best-fit MD-simulated models of nine collagen peptides (all except (POG)₁₄). The R_g, and the M and L values were calculated from the models using SCT R_g, and GNOM P(r) analyses, respectively. The goodness-of-fit R factors were calculated by comparing the experimental scattering curves with those calculated for the linear and best-fit MD structures.

n.a. Not available.