human Insulin Fibrils
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS7:SG | 2:CYS7:SG |
2 | disulfide | sing | 1:CYS20:SG | 2:CYS19:SG |
3 | disulfide | sing | 1:CYS6:SG | 1:CYS11:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | GLY | C | C | 169.264 | ||
2 | 1 | 1 | GLY | CA | C | 43.595 | ||
3 | 1 | 1 | GLY | N | N | 106.821 | ||
4 | 1 | 2 | ILE | C | C | 174.508 | ||
5 | 1 | 2 | ILE | CA | C | 60.024 | ||
6 | 1 | 2 | ILE | CB | C | 41.480 | ||
7 | 1 | 2 | ILE | CG1 | C | 28.264 | ||
8 | 1 | 2 | ILE | CG2 | C | 16.958 | ||
9 | 1 | 2 | ILE | CD1 | C | 14.338 | ||
10 | 1 | 2 | ILE | N | N | 118.949 | ||
11 | 1 | 3 | VAL | C | C | 174.025 | ||
12 | 1 | 3 | VAL | CA | C | 60.997 | ||
13 | 1 | 3 | VAL | CB | C | 34.967 | ||
14 | 1 | 3 | VAL | CG1 | C | 20.383 | ||
15 | 1 | 3 | VAL | N | N | 127.751 | ||
16 | 1 | 4 | GLU | C | C | 174.140 | ||
17 | 1 | 4 | GLU | CA | C | 53.838 | ||
18 | 1 | 4 | GLU | CB | C | 29.470 | ||
19 | 1 | 4 | GLU | CG | C | 34.957 | ||
20 | 1 | 4 | GLU | N | N | 124.717 | ||
21 | 1 | 5 | GLN | C | C | 174.309 | ||
22 | 1 | 5 | GLN | CA | C | 53.887 | ||
23 | 1 | 5 | GLN | CB | C | 27.335 | ||
24 | 1 | 5 | GLN | CG | C | 33.864 | ||
25 | 1 | 5 | GLN | CD | C | 178.524 | ||
26 | 1 | 5 | GLN | N | N | 124.741 | ||
27 | 1 | 6 | CYS | C | C | 170.763 | ||
28 | 1 | 6 | CYS | CA | C | 56.679 | ||
29 | 1 | 6 | CYS | CB | C | 50.506 | ||
30 | 1 | 6 | CYS | N | N | 119.055 | ||
31 | 1 | 7 | CYS | C | C | 174.433 | ||
32 | 1 | 7 | CYS | CA | C | 53.849 | ||
33 | 1 | 7 | CYS | CB | C | 44.311 | ||
34 | 1 | 7 | CYS | N | N | 122.581 | ||
35 | 1 | 8 | THR | C | C | 171.940 | ||
36 | 1 | 8 | THR | CA | C | 61.793 | ||
37 | 1 | 8 | THR | CB | C | 66.894 | ||
38 | 1 | 8 | THR | CG2 | C | 23.700 | ||
39 | 1 | 8 | THR | N | N | 128.223 | ||
40 | 1 | 9 | SER | C | C | 171.236 | ||
41 | 1 | 9 | SER | CA | C | 57.288 | ||
42 | 1 | 9 | SER | CB | C | 72.009 | ||
43 | 1 | 9 | SER | N | N | 110.335 | ||
44 | 1 | 10 | ILE | C | C | 175.486 | ||
45 | 1 | 10 | ILE | CA | C | 60.995 | ||
46 | 1 | 10 | ILE | CB | C | 39.700 | ||
47 | 1 | 10 | ILE | CG1 | C | 27.599 | ||
48 | 1 | 10 | ILE | CG2 | C | 17.067 | ||
49 | 1 | 10 | ILE | CD1 | C | 12.116 | ||
50 | 1 | 10 | ILE | N | N | 119.859 | ||
51 | 1 | 11 | CYS | C | C | 170.712 | ||
52 | 1 | 11 | CYS | CA | C | 53.861 | ||
53 | 1 | 11 | CYS | CB | C | 47.676 | ||
54 | 1 | 11 | CYS | N | N | 126.647 | ||
55 | 1 | 12 | SER | C | C | 175.112 | ||
56 | 1 | 12 | SER | CA | C | 54.045 | ||
57 | 1 | 12 | SER | CB | C | 65.686 | ||
58 | 1 | 12 | SER | N | N | 113.280 | ||
59 | 1 | 13 | LEU | C | C | 176.669 | ||
60 | 1 | 13 | LEU | CA | C | 56.832 | ||
61 | 1 | 13 | LEU | CB | C | 40.787 | ||
62 | 1 | 13 | LEU | CG | C | 27.112 | ||
63 | 1 | 13 | LEU | CD1 | C | 24.972 | ||
64 | 1 | 13 | LEU | CD2 | C | 22.115 | ||
65 | 1 | 13 | LEU | N | N | 116.116 | ||
66 | 1 | 14 | TYR | C | C | 176.960 | ||
67 | 1 | 14 | TYR | CA | C | 56.401 | ||
68 | 1 | 14 | TYR | CB | C | 40.429 | ||
69 | 1 | 14 | TYR | CD1 | C | 133.868 | ||
70 | 1 | 14 | TYR | N | N | 116.322 | ||
71 | 1 | 15 | GLN | C | C | 175.180 | ||
72 | 1 | 15 | GLN | CA | C | 53.931 | ||
73 | 1 | 15 | GLN | CB | C | 29.455 | ||
74 | 1 | 15 | GLN | CG | C | 32.857 | ||
75 | 1 | 15 | GLN | CD | C | 175.254 | ||
76 | 1 | 15 | GLN | N | N | 115.624 | ||
77 | 1 | 16 | LEU | C | C | 175.128 | ||
78 | 1 | 16 | LEU | CA | C | 54.176 | ||
79 | 1 | 16 | LEU | CB | C | 38.646 | ||
80 | 1 | 16 | LEU | CG | C | 26.624 | ||
81 | 1 | 16 | LEU | CD1 | C | 25.438 | ||
82 | 1 | 16 | LEU | N | N | 115.623 | ||
83 | 1 | 17 | GLU | C | C | 176.678 | ||
84 | 1 | 17 | GLU | CA | C | 53.962 | ||
85 | 1 | 17 | GLU | CB | C | 29.485 | ||
86 | 1 | 17 | GLU | N | N | 115.056 | ||
87 | 1 | 18 | ASN | C | C | 172.918 | ||
88 | 1 | 18 | ASN | CA | C | 51.445 | ||
89 | 1 | 18 | ASN | CB | C | 41.635 | ||
90 | 1 | 18 | ASN | N | N | 122.502 | ||
91 | 1 | 19 | TYR | C | C | 173.078 | ||
92 | 1 | 19 | TYR | CA | C | 56.001 | ||
93 | 1 | 19 | TYR | CB | C | 41.609 | ||
94 | 1 | 19 | TYR | CD1 | C | 131.448 | ||
95 | 1 | 19 | TYR | CE1 | C | 116.956 | ||
96 | 1 | 19 | TYR | N | N | 126.219 | ||
97 | 1 | 20 | CYS | C | C | 175.908 | ||
98 | 1 | 20 | CYS | CA | C | 53.220 | ||
99 | 1 | 20 | CYS | CB | C | 44.674 | ||
100 | 1 | 20 | CYS | N | N | 118.016 |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
101 | 2 | 1 | PHE | C | C | 170.554 | ||
102 | 2 | 1 | PHE | CA | C | 55.237 | ||
103 | 2 | 1 | PHE | CB | C | 37.055 | ||
104 | 2 | 1 | PHE | CD1 | C | 132.290 | ||
105 | 2 | 1 | PHE | CE2 | C | 135.049 | ||
106 | 2 | 1 | PHE | CZ | C | 134.304 | ||
107 | 2 | 2 | VAL | C | C | 173.081 | ||
108 | 2 | 2 | VAL | CA | C | 61.209 | ||
109 | 2 | 2 | VAL | CB | C | 35.459 | ||
110 | 2 | 2 | VAL | CG1 | C | 20.860 | ||
111 | 2 | 2 | VAL | CG2 | C | 19.026 | ||
112 | 2 | 2 | VAL | N | N | 119.537 | ||
113 | 2 | 3 | ASN | C | C | 174.948 | ||
114 | 2 | 3 | ASN | CA | C | 51.296 | ||
115 | 2 | 3 | ASN | CB | C | 41.123 | ||
116 | 2 | 3 | ASN | CG | C | 174.756 | ||
117 | 2 | 3 | ASN | N | N | 125.694 | ||
118 | 2 | 4 | GLN | C | C | 175.198 | ||
119 | 2 | 4 | GLN | CA | C | 53.392 | ||
120 | 2 | 4 | GLN | CB | C | 31.580 | ||
121 | 2 | 4 | GLN | CG | C | 33.061 | ||
122 | 2 | 4 | GLN | CD | C | 177.581 | ||
123 | 2 | 4 | GLN | N | N | 122.443 | ||
124 | 2 | 5 | HIS | C | C | 174.022 | ||
125 | 2 | 5 | HIS | CA | C | 54.127 | ||
126 | 2 | 5 | HIS | CB | C | 30.050 | ||
127 | 2 | 5 | HIS | CG | C | 130.207 | ||
128 | 2 | 5 | HIS | CD2 | C | 121.159 | ||
129 | 2 | 5 | HIS | CE1 | C | 129.854 | ||
130 | 2 | 5 | HIS | N | N | 112.405 | ||
131 | 2 | 6 | LEU | C | C | 178.769 | ||
132 | 2 | 6 | LEU | CA | C | 54.651 | ||
133 | 2 | 6 | LEU | CB | C | 39.472 | ||
134 | 2 | 6 | LEU | CG | C | 24.173 | ||
135 | 2 | 6 | LEU | CD1 | C | 27.058 | ||
136 | 2 | 6 | LEU | CD2 | C | 25.894 | ||
137 | 2 | 6 | LEU | N | N | 120.540 | ||
138 | 2 | 7 | CYS | C | C | 174.476 | ||
139 | 2 | 7 | CYS | CA | C | 59.721 | ||
140 | 2 | 7 | CYS | CB | C | 42.905 | ||
141 | 2 | 7 | CYS | N | N | 117.225 | ||
142 | 2 | 8 | GLY | C | C | 171.902 | ||
143 | 2 | 8 | GLY | CA | C | 46.180 | ||
144 | 2 | 8 | GLY | N | N | 103.946 | ||
145 | 2 | 9 | SER | C | C | 173.386 | ||
146 | 2 | 9 | SER | CA | C | 56.277 | ||
147 | 2 | 9 | SER | CB | C | 63.904 | ||
148 | 2 | 9 | SER | N | N | 107.928 | ||
149 | 2 | 10 | HIS | C | C | 175.939 | ||
150 | 2 | 10 | HIS | CA | C | 56.157 | ||
151 | 2 | 10 | HIS | CB | C | 24.120 | ||
152 | 2 | 10 | HIS | CG | C | 131.999 | ||
153 | 2 | 10 | HIS | CD2 | C | 129.867 | ||
154 | 2 | 10 | HIS | CE1 | C | 120.138 | ||
155 | 2 | 10 | HIS | N | N | 113.879 | ||
156 | 2 | 11 | LEU | C | C | 176.738 | ||
157 | 2 | 11 | LEU | CA | C | 60.196 | ||
158 | 2 | 11 | LEU | CB | C | 43.230 | ||
159 | 2 | 11 | LEU | CG | C | 29.144 | ||
160 | 2 | 11 | LEU | CD1 | C | 25.672 | ||
161 | 2 | 11 | LEU | CD2 | C | 26.689 | ||
162 | 2 | 11 | LEU | N | N | 123.139 | ||
163 | 2 | 12 | VAL | C | C | 176.108 | ||
164 | 2 | 12 | VAL | CA | C | 59.271 | ||
165 | 2 | 12 | VAL | CB | C | 36.024 | ||
166 | 2 | 12 | VAL | CG1 | C | 22.800 | ||
167 | 2 | 12 | VAL | CG2 | C | 20.675 | ||
168 | 2 | 12 | VAL | N | N | 114.091 | ||
169 | 2 | 13 | GLU | C | C | 174.772 | ||
170 | 2 | 13 | GLU | CA | C | 58.958 | ||
171 | 2 | 13 | GLU | CB | C | 27.447 | ||
172 | 2 | 13 | GLU | CG | C | 36.037 | ||
173 | 2 | 13 | GLU | CD | C | 181.105 | ||
174 | 2 | 13 | GLU | N | N | 126.588 | ||
175 | 2 | 14 | ALA | C | C | 172.209 | ||
176 | 2 | 14 | ALA | CA | C | 50.793 | ||
177 | 2 | 14 | ALA | CB | C | 21.228 | ||
178 | 2 | 14 | ALA | N | N | 122.561 | ||
179 | 2 | 15 | LEU | C | C | 172.631 | ||
180 | 2 | 15 | LEU | CA | C | 54.043 | ||
181 | 2 | 15 | LEU | CB | C | 44.450 | ||
182 | 2 | 15 | LEU | CG | C | 29.138 | ||
183 | 2 | 15 | LEU | CD1 | C | 24.886 | ||
184 | 2 | 15 | LEU | CD2 | C | 23.063 | ||
185 | 2 | 15 | LEU | N | N | 127.716 | ||
186 | 2 | 16 | TYR | C | C | 173.430 | ||
187 | 2 | 16 | TYR | CA | C | 55.982 | ||
188 | 2 | 16 | TYR | CB | C | 40.997 | ||
189 | 2 | 16 | TYR | CG | C | 132.884 | ||
190 | 2 | 16 | TYR | CD1 | C | 130.916 | ||
191 | 2 | 16 | TYR | CE1 | C | 117.462 | ||
192 | 2 | 16 | TYR | N | N | 123.352 | ||
193 | 2 | 17 | LEU | C | C | 174.436 | ||
194 | 2 | 17 | LEU | CA | C | 55.213 | ||
195 | 2 | 17 | LEU | CB | C | 42.241 | ||
196 | 2 | 17 | LEU | CG | C | 30.282 | ||
197 | 2 | 17 | LEU | CD1 | C | 23.821 | ||
198 | 2 | 17 | LEU | CD2 | C | 26.719 | ||
199 | 2 | 17 | LEU | N | N | 124.733 | ||
200 | 2 | 18 | VAL | C | C | 174.245 | ||
201 | 2 | 18 | VAL | CA | C | 61.821 | ||
202 | 2 | 18 | VAL | CB | C | 34.226 | ||
203 | 2 | 18 | VAL | CG1 | C | 20.852 | ||
204 | 2 | 18 | VAL | N | N | 124.637 | ||
205 | 2 | 19 | CYS | C | C | 174.189 | ||
206 | 2 | 19 | CYS | CA | C | 52.059 | ||
207 | 2 | 19 | CYS | CB | C | 42.709 | ||
208 | 2 | 19 | CYS | N | N | 127.169 | ||
209 | 2 | 20 | GLY | C | C | 173.494 | ||
210 | 2 | 20 | GLY | CA | C | 45.383 | ||
211 | 2 | 20 | GLY | N | N | 112.221 | ||
212 | 2 | 21 | GLU | C | C | 177.847 | ||
213 | 2 | 21 | GLU | CA | C | 54.251 | ||
214 | 2 | 21 | GLU | CB | C | 27.014 | ||
215 | 2 | 21 | GLU | CD | C | 179.297 | ||
216 | 2 | 21 | GLU | N | N | 120.516 | ||
217 | 2 | 22 | ARG | CA | C | 57.982 | ||
218 | 2 | 22 | ARG | CB | C | 29.439 | ||
219 | 2 | 22 | ARG | CG | C | 28.172 | ||
220 | 2 | 22 | ARG | CD | C | 43.364 | ||
221 | 2 | 22 | ARG | CZ | C | 159.146 |