Crystal Structure of Locally Available Tassar Fibers Based on [Ala-Gly]_𝑛 Amino Acid Sequence: Using X-Ray Data and LALS Method

Table 3

Fractional atomic coordinates of Tassar silk fiber for the repeating unit of (Ala-Gly).

Atom	Chain-a			Chain-b
	𝑥	𝑦	𝑧	𝑥	𝑦	𝑧
Ala
N	0.237	0.653	0.060	0.262	0.346	0.560
H𝑁	0.247	0.747	0.050	0.252	0.252	0.550
C𝛼	0.272	0.581	0.231	0.227	0.418	0.731
C𝛽	0.431	0.557	0.237	0.068	0.442	0.737
H𝛼	0.219	0.499	0.224	0.280	0.500	0.724
C^	0.228	0.654	0.411	0.271	0.345	0.911
O	0.230	0.770	0.413	0.269	0.229	0.912
Gly
N	0.188	0.583	0.559	0.311	0.416	1.059
H𝑁	0.186	0.489	0.556	0.313	0.510	1.056
C𝛼	0.147	0.644	0.737	0.352	0.355	1.237
H𝛼1	0.041	0.655	0.740	0.458	0.344	1.240
H𝛼2	0.193	0.728	0.748	0.306	0.271	1.248
C^	0.189	0.566	−0.085	0.310	0.433	0.414
O(2)	0.183	0.464	−0.066	0.316	0.535	0.433