Temperature-dependent structures of tau aggregates
SSPGSPGTPG SRSRTPSLPT PPTREPKKVA VVRTPPKSPS SAKSRLQTAP VPMPDLKNVK SKIGSTENLK HQPGGGKVQI INKKLDLSNV QSKCGSKDNI KHVPGGGSVQ IVYKPVDLSK VTSKCGSLGN IHHKPGGGQV EVKSEKLDFK DRVQSKIGSL DNITHVPGGG NKKIETHKLT FRENAKAKTD HGAEIVYKSP VV
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 79 | GLN | CG | C | 32.833 | ||
2 | 1 | 80 | ILE | C | C | 171.645 | ||
3 | 1 | 80 | ILE | CA | C | 58.752 | ||
4 | 1 | 80 | ILE | CB | C | 37.934 | ||
5 | 1 | 80 | ILE | CG1 | C | 25.644 | ||
6 | 1 | 80 | ILE | CG2 | C | 15.886 | ||
7 | 1 | 80 | ILE | CD1 | C | 11.293 | ||
8 | 1 | 80 | ILE | N | N | 125.816 | ||
9 | 1 | 81 | ILE | C | C | 171.739 | ||
10 | 1 | 81 | ILE | CA | C | 57.294 | ||
11 | 1 | 81 | ILE | CB | C | 39.611 | ||
12 | 1 | 81 | ILE | CG1 | C | 25.056 | ||
13 | 1 | 81 | ILE | CG2 | C | 14.853 | ||
14 | 1 | 81 | ILE | CD1 | C | 11.064 | ||
15 | 1 | 81 | ILE | N | N | 126.454 | ||
16 | 1 | 82 | ASN | C | C | 171.758 | ||
17 | 1 | 82 | ASN | CA | C | 50.014 | ||
18 | 1 | 82 | ASN | CB | C | 38.853 | ||
19 | 1 | 82 | ASN | CG | C | 173.586 | ||
20 | 1 | 82 | ASN | N | N | 126.034 | ||
21 | 1 | 82 | ASN | ND2 | N | 107.4 | ||
22 | 1 | 83 | LYS | CA | C | 52.062 | ||
23 | 1 | 83 | LYS | N | N | 122.694 | ||
24 | 1 | 84 | LYS | C | C | 172.929 | ||
25 | 1 | 84 | LYS | CA | C | 52.478 | ||
26 | 1 | 84 | LYS | CB | C | 33.164 | ||
27 | 1 | 84 | LYS | CG | C | 25.248 | ||
28 | 1 | 84 | LYS | CD | C | 29.009 | ||
29 | 1 | 84 | LYS | CE | C | 43.97 | ||
30 | 1 | 84 | LYS | N | N | 127.14 | ||
31 | 1 | 86 | ASP | C | C | 171.523 | ||
32 | 1 | 86 | ASP | CA | C | 51.534 | ||
33 | 1 | 86 | ASP | CB | C | 40.636 | ||
34 | 1 | 86 | ASP | CG | C | 178.669 | ||
35 | 1 | 86 | ASP | N | N | 125.8 | ||
36 | 1 | 87 | LEU | C | C | 174.969 | ||
37 | 1 | 87 | LEU | CA | C | 52.385 | ||
38 | 1 | 87 | LEU | CB | C | 41.332 | ||
39 | 1 | 87 | LEU | CG | C | 27.104 | ||
40 | 1 | 87 | LEU | CD1 | C | 24.182 | ||
41 | 1 | 87 | LEU | N | N | 125.039 | ||
42 | 1 | 88 | SER | C | C | 170.883 | ||
43 | 1 | 88 | SER | CA | C | 54.816 | ||
44 | 1 | 88 | SER | CB | C | 62.647 | ||
45 | 1 | 88 | SER | N | N | 118.264 | ||
46 | 1 | 89 | ASN | CA | C | 50.768 | ||
47 | 1 | 89 | ASN | CB | C | 42.769 | ||
48 | 1 | 89 | ASN | CG | C | 172.18 | ||
49 | 1 | 89 | ASN | N | N | 126.771 | ||
50 | 1 | 90 | VAL | C | C | 173.693 | ||
51 | 1 | 90 | VAL | CA | C | 59.51 | ||
52 | 1 | 90 | VAL | CB | C | 33.008 | ||
53 | 1 | 90 | VAL | CG1 | C | 19.282 | ||
54 | 1 | 90 | VAL | N | N | 130.61 | ||
55 | 1 | 91 | GLN | C | C | 173.029 | ||
56 | 1 | 91 | GLN | CA | C | 51.648 | ||
57 | 1 | 91 | GLN | CB | C | 33.989 | ||
58 | 1 | 91 | GLN | CG | C | 35.746 | ||
59 | 1 | 91 | GLN | CD | C | 179.14 | ||
60 | 1 | 91 | GLN | N | N | 121.347 | ||
61 | 1 | 91 | GLN | NE2 | N | 115.858 | ||
62 | 1 | 92 | SER | C | C | 173.165 | ||
63 | 1 | 92 | SER | CA | C | 52.873 | ||
64 | 1 | 92 | SER | CB | C | 63.11 | ||
65 | 1 | 92 | SER | N | N | 115.281 | ||
66 | 1 | 93 | LYS | C | C | 173.955 | ||
67 | 1 | 93 | LYS | CA | C | 56.338 | ||
68 | 1 | 93 | LYS | CG | C | 25.409 | ||
69 | 1 | 93 | LYS | CD | C | 27.993 | ||
70 | 1 | 93 | LYS | CE | C | 41.037 | ||
71 | 1 | 93 | LYS | N | N | 125.09 | ||
72 | 1 | 94 | CYS | C | C | 172.854 | ||
73 | 1 | 94 | CYS | CA | C | 55.523 | ||
74 | 1 | 94 | CYS | CB | C | 25.975 | ||
75 | 1 | 94 | CYS | N | N | 116.575 | ||
76 | 1 | 95 | GLY | C | C | 171.687 | ||
77 | 1 | 95 | GLY | CA | C | 43.151 | ||
78 | 1 | 95 | GLY | N | N | 112.591 | ||
79 | 1 | 96 | SER | C | C | 172.836 | ||
80 | 1 | 96 | SER | CA | C | 54.892 | ||
81 | 1 | 96 | SER | CB | C | 65.717 | ||
82 | 1 | 96 | SER | N | N | 115.759 | ||
83 | 1 | 97 | LYS | C | C | 172.699 | ||
84 | 1 | 97 | LYS | CA | C | 52.628 | ||
85 | 1 | 97 | LYS | CB | C | 35.243 | ||
86 | 1 | 97 | LYS | CG | C | 22.83 | ||
87 | 1 | 97 | LYS | CD | C | 29.413 | ||
88 | 1 | 97 | LYS | N | N | 132.918 | ||
89 | 1 | 98 | ASP | C | C | 173.15 | ||
90 | 1 | 98 | ASP | CA | C | 51.735 | ||
91 | 1 | 98 | ASP | CB | C | 37.337 | ||
92 | 1 | 98 | ASP | CG | C | 180.5 | ||
93 | 1 | 98 | ASP | N | N | 122.017 | ||
94 | 1 | 99 | ASN | C | C | 175.103 | ||
95 | 1 | 99 | ASN | CA | C | 49.827 | ||
96 | 1 | 99 | ASN | CB | C | 41.367 | ||
97 | 1 | 99 | ASN | N | N | 113.303 | ||
98 | 1 | 100 | ILE | CA | C | 58.492 | ||
99 | 1 | 100 | ILE | CB | C | 39.112 | ||
100 | 1 | 100 | ILE | CG1 | C | 26.075 | ||
101 | 1 | 100 | ILE | CG2 | C | 15.712 | ||
102 | 1 | 100 | ILE | CD1 | C | 11.978 | ||
103 | 1 | 100 | ILE | N | N | 121.834 | ||
104 | 1 | 101 | LYS | C | C | 171.027 | ||
105 | 1 | 101 | LYS | CA | C | 52.617 | ||
106 | 1 | 102 | HIS | C | C | 172.514 | ||
107 | 1 | 102 | HIS | CA | C | 51.381 | ||
108 | 1 | 102 | HIS | CB | C | 32.39 | ||
109 | 1 | 102 | HIS | CD2 | C | 114.795 | ||
110 | 1 | 102 | HIS | CE1 | C | 135.406 | ||
111 | 1 | 102 | HIS | N | N | 130.425 | ||
112 | 1 | 103 | VAL | C | C | 169.203 | ||
113 | 1 | 103 | VAL | CA | C | 56.697 | ||
114 | 1 | 103 | VAL | CB | C | 31.097 | ||
115 | 1 | 103 | VAL | CG1 | C | 17.865 | ||
116 | 1 | 103 | VAL | CG2 | C | 20.352 | ||
117 | 1 | 103 | VAL | N | N | 127.903 | ||
118 | 1 | 104 | PRO | C | C | 175.596 | ||
119 | 1 | 104 | PRO | CA | C | 59.564 | ||
120 | 1 | 104 | PRO | CB | C | 32.446 | ||
121 | 1 | 104 | PRO | CG | C | 25.622 | ||
122 | 1 | 104 | PRO | CD | C | 45.635 | ||
123 | 1 | 104 | PRO | N | N | 133.384 | ||
124 | 1 | 105 | GLY | C | C | 171.35 | ||
125 | 1 | 105 | GLY | CA | C | 42.965 | ||
126 | 1 | 105 | GLY | N | N | 105.909 | ||
127 | 1 | 106 | GLY | C | C | 172.657 | ||
128 | 1 | 106 | GLY | CA | C | 43.073 | ||
129 | 1 | 106 | GLY | N | N | 115.797 | ||
130 | 1 | 107 | GLY | C | C | 172.499 | ||
131 | 1 | 107 | GLY | CA | C | 46.874 | ||
132 | 1 | 107 | GLY | N | N | 105.801 | ||
133 | 1 | 108 | SER | C | C | 169.768 | ||
134 | 1 | 108 | SER | CA | C | 56.467 | ||
135 | 1 | 108 | SER | CB | C | 67.429 | ||
136 | 1 | 108 | SER | N | N | 107.454 | ||
137 | 1 | 109 | VAL | C | C | 172.64 | ||
138 | 1 | 109 | VAL | CA | C | 59.492 | ||
139 | 1 | 109 | VAL | CB | C | 31.958 | ||
140 | 1 | 109 | VAL | CG1 | C | 20.872 | ||
141 | 1 | 109 | VAL | CG2 | C | 18.174 | ||
142 | 1 | 109 | VAL | N | N | 121.924 | ||
143 | 1 | 110 | GLN | C | C | 172.459 | ||
144 | 1 | 110 | GLN | CA | C | 51.807 | ||
145 | 1 | 110 | GLN | CB | C | 30.057 | ||
146 | 1 | 110 | GLN | CG | C | 31.783 | ||
147 | 1 | 110 | GLN | CD | C | 177.327 | ||
148 | 1 | 110 | GLN | N | N | 126.292 | ||
149 | 1 | 110 | GLN | NE2 | N | 111.681 | ||
150 | 1 | 111 | ILE | C | C | 172.091 | ||
151 | 1 | 111 | ILE | CA | C | 57.552 | ||
152 | 1 | 111 | ILE | CB | C | 39.923 | ||
153 | 1 | 111 | ILE | CG1 | C | 25.319 | ||
154 | 1 | 111 | ILE | CG2 | C | 14.755 | ||
155 | 1 | 111 | ILE | CD1 | C | 13.078 | ||
156 | 1 | 111 | ILE | N | N | 124.471 | ||
157 | 1 | 112 | VAL | C | C | 172.01 | ||
158 | 1 | 112 | VAL | CA | C | 58.774 | ||
159 | 1 | 112 | VAL | CB | C | 32.037 | ||
160 | 1 | 112 | VAL | CG1 | C | 18.662 | ||
161 | 1 | 112 | VAL | CG2 | C | 19.584 | ||
162 | 1 | 112 | VAL | N | N | 127.43 | ||
163 | 1 | 113 | TYR | C | C | 169.975 | ||
164 | 1 | 113 | TYR | CA | C | 55.809 | ||
165 | 1 | 113 | TYR | CB | C | 40.525 | ||
166 | 1 | 113 | TYR | N | N | 130.09 | ||
167 | 1 | 115 | PRO | C | C | 174.928 | ||
168 | 1 | 115 | PRO | CA | C | 60.596 | ||
169 | 1 | 115 | PRO | CB | C | 30.606 | ||
170 | 1 | 115 | PRO | CG | C | 25.739 | ||
171 | 1 | 115 | PRO | CD | C | 47.086 | ||
172 | 1 | 115 | PRO | N | N | 131.521 | ||
173 | 1 | 116 | VAL | C | C | 173.104 | ||
174 | 1 | 116 | VAL | CA | C | 59.814 | ||
175 | 1 | 116 | VAL | CB | C | 32.792 | ||
176 | 1 | 116 | VAL | CG1 | C | 19.53 | ||
177 | 1 | 116 | VAL | N | N | 121.682 | ||
178 | 1 | 117 | ASP | C | C | 171.858 | ||
179 | 1 | 117 | ASP | CA | C | 50.961 | ||
180 | 1 | 117 | ASP | CB | C | 39.752 | ||
181 | 1 | 117 | ASP | CG | C | 178.249 | ||
182 | 1 | 117 | ASP | N | N | 128.418 | ||
183 | 1 | 118 | LEU | C | C | 174.971 | ||
184 | 1 | 118 | LEU | CA | C | 52.406 | ||
185 | 1 | 118 | LEU | CB | C | 41.244 | ||
186 | 1 | 118 | LEU | CG | C | 26.573 | ||
187 | 1 | 118 | LEU | CD1 | C | 24.599 | ||
188 | 1 | 118 | LEU | N | N | 129.798 | ||
189 | 1 | 119 | SER | C | C | 171.397 | ||
190 | 1 | 119 | SER | CA | C | 57.796 | ||
191 | 1 | 119 | SER | CB | C | 63.955 | ||
192 | 1 | 119 | SER | N | N | 119.192 | ||
193 | 1 | 120 | LYS | C | C | 174.71 | ||
194 | 1 | 120 | LYS | CA | C | 53.563 | ||
195 | 1 | 120 | LYS | CB | C | 34.542 | ||
196 | 1 | 120 | LYS | CG | C | 23.761 | ||
197 | 1 | 120 | LYS | N | N | 118.163 | ||
198 | 1 | 121 | VAL | C | C | 173.052 | ||
199 | 1 | 121 | VAL | CA | C | 59.807 | ||
200 | 1 | 121 | VAL | CB | C | 34.341 | ||
201 | 1 | 121 | VAL | CG1 | C | 20.831 | ||
202 | 1 | 121 | VAL | CG2 | C | 19.676 | ||
203 | 1 | 121 | VAL | N | N | 126.266 | ||
204 | 1 | 122 | THR | C | C | 171.087 | ||
205 | 1 | 122 | THR | CA | C | 60.223 | ||
206 | 1 | 122 | THR | CB | C | 67.668 | ||
207 | 1 | 122 | THR | CG2 | C | 21.161 | ||
208 | 1 | 122 | THR | N | N | 128.396 | ||
209 | 1 | 123 | SER | C | C | 172.579 | ||
210 | 1 | 123 | SER | CA | C | 53.08 | ||
211 | 1 | 123 | SER | CB | C | 62.603 | ||
212 | 1 | 123 | SER | N | N | 119.676 | ||
213 | 1 | 124 | LYS | C | C | 172.757 | ||
214 | 1 | 124 | LYS | CA | C | 55.831 | ||
215 | 1 | 124 | LYS | CG | C | 25.672 | ||
216 | 1 | 124 | LYS | CD | C | 28.203 | ||
217 | 1 | 124 | LYS | CE | C | 40.624 | ||
218 | 1 | 124 | LYS | N | N | 127.63 | ||
219 | 1 | 125 | CYS | C | C | 172.579 | ||
220 | 1 | 125 | CYS | CA | C | 55.661 | ||
221 | 1 | 125 | CYS | CB | C | 29.349 | ||
222 | 1 | 125 | CYS | N | N | 109.755 | ||
223 | 1 | 126 | GLY | CA | C | 43.157 | ||
224 | 1 | 126 | GLY | N | N | 109.993 | ||
225 | 1 | 127 | SER | CA | C | 53.745 | ||
226 | 1 | 127 | SER | CB | C | 61.951 | ||
227 | 1 | 127 | SER | N | N | 121.751 | ||
228 | 1 | 132 | HIS | C | C | 171.312 | ||
229 | 1 | 132 | HIS | CA | C | 53.017 | ||
230 | 1 | 132 | HIS | CB | C | 33.177 | ||
231 | 1 | 132 | HIS | CD2 | C | 114.657 | ||
232 | 1 | 132 | HIS | CE1 | C | 134.415 | ||
233 | 1 | 132 | HIS | N | N | 126.468 | ||
234 | 1 | 133 | HIS | C | C | 170.615 | ||
235 | 1 | 133 | HIS | CA | C | 54.85 | ||
236 | 1 | 133 | HIS | CB | C | 29.771 | ||
237 | 1 | 133 | HIS | CD2 | C | 114.139 | ||
238 | 1 | 133 | HIS | CE1 | C | 132.203 | ||
239 | 1 | 133 | HIS | N | N | 126.386 | ||
240 | 1 | 134 | LYS | C | C | 173.087 | ||
241 | 1 | 134 | LYS | CA | C | 52.602 | ||
242 | 1 | 134 | LYS | CB | C | 31.039 | ||
243 | 1 | 134 | LYS | CG | C | 23.905 | ||
244 | 1 | 134 | LYS | CD | C | 28.661 | ||
245 | 1 | 134 | LYS | N | N | 126.423 | ||
246 | 1 | 158 | GLY | C | C | 172.8 | ||
247 | 1 | 158 | GLY | CA | C | 46.259 | ||
248 | 1 | 158 | GLY | N | N | 119.144 | ||
249 | 1 | 159 | SER | C | C | 169.267 | ||
250 | 1 | 159 | SER | CA | C | 56.825 | ||
251 | 1 | 159 | SER | CB | C | 66.356 | ||
252 | 1 | 159 | SER | N | N | 111.365 | ||
253 | 1 | 164 | THR | C | C | 171.314 | ||
254 | 1 | 164 | THR | CA | C | 54.681 | ||
255 | 1 | 164 | THR | CB | C | 64.461 | ||
256 | 1 | 164 | THR | N | N | 117.933 | ||
257 | 1 | 165 | HIS | C | C | 172.025 | ||
258 | 1 | 165 | HIS | CA | C | 53.107 | ||
259 | 1 | 165 | HIS | CB | C | 33.183 | ||
260 | 1 | 165 | HIS | CG | C | 134.97 | ||
261 | 1 | 165 | HIS | CD2 | C | 114.554 | ||
262 | 1 | 165 | HIS | CE1 | C | 135.843 | ||
263 | 1 | 165 | HIS | N | N | 123.797 | ||
264 | 1 | 170 | GLY | C | C | 172.227 | ||
265 | 1 | 170 | GLY | CA | C | 45.757 | ||
266 | 1 | 170 | GLY | N | N | 106.945 | ||
267 | 1 | 171 | ASN | CA | C | 51.188 | ||
268 | 1 | 171 | ASN | CB | C | 40.099 | ||
269 | 1 | 171 | ASN | N | N | 117.029 | ||
270 | 1 | 175 | GLU | C | C | 174.186 | ||
271 | 1 | 175 | GLU | CA | C | 51.814 | ||
272 | 1 | 175 | GLU | CB | C | 29.264 | ||
273 | 1 | 175 | GLU | CG | C | 35.812 | ||
274 | 1 | 175 | GLU | CD | C | 181.675 | ||
275 | 1 | 175 | GLU | N | N | 123.093 | ||
276 | 1 | 176 | THR | C | C | 174.257 | ||
277 | 1 | 176 | THR | CA | C | 59.601 | ||
278 | 1 | 176 | THR | CB | C | 66.186 | ||
279 | 1 | 176 | THR | CG2 | C | 21.498 | ||
280 | 1 | 176 | THR | N | N | 113.907 | ||
281 | 1 | 177 | HIS | C | C | 171.584 | ||
282 | 1 | 177 | HIS | CA | C | 53.443 | ||
283 | 1 | 177 | HIS | CB | C | 34.63 | ||
284 | 1 | 177 | HIS | CD2 | C | 113.796 | ||
285 | 1 | 177 | HIS | CE1 | C | 134.765 | ||
286 | 1 | 177 | HIS | N | N | 125.721 | ||
287 | 1 | 178 | LYS | CA | C | 52.269 | ||
288 | 1 | 178 | LYS | CB | C | 29.148 | ||
289 | 1 | 178 | LYS | CG | C | 21.855 | ||
290 | 1 | 178 | LYS | CD | C | 25.333 | ||
291 | 1 | 178 | LYS | CE | C | 44.057 | ||
292 | 1 | 178 | LYS | N | N | 126.043 | ||
293 | 1 | 185 | ALA | C | C | 173.006 | ||
294 | 1 | 185 | ALA | CA | C | 48.654 | ||
295 | 1 | 185 | ALA | CB | C | 20.786 | ||
296 | 1 | 185 | ALA | N | N | 128.749 | ||
297 | 1 | 186 | LYS | C | C | 172.364 | ||
298 | 1 | 186 | LYS | CA | C | 53.08 | ||
299 | 1 | 186 | LYS | CB | C | 32.179 | ||
300 | 1 | 186 | LYS | N | N | 118.358 | ||
301 | 1 | 187 | ALA | C | C | 173.198 | ||
302 | 1 | 187 | ALA | CA | C | 48.714 | ||
303 | 1 | 187 | ALA | CB | C | 20.673 | ||
304 | 1 | 187 | ALA | N | N | 127.074 | ||
305 | 1 | 188 | LYS | C | C | 174.91 | ||
306 | 1 | 188 | LYS | CA | C | 53.63 | ||
307 | 1 | 188 | LYS | CB | C | 31.227 | ||
308 | 1 | 188 | LYS | N | N | 119.634 | ||
309 | 1 | 189 | THR | C | C | 172.605 | ||
310 | 1 | 189 | THR | CA | C | 57.703 | ||
311 | 1 | 189 | THR | CB | C | 67.055 | ||
312 | 1 | 189 | THR | CG2 | C | 19.744 | ||
313 | 1 | 189 | THR | N | N | 108.507 | ||
314 | 1 | 191 | HIS | CA | C | 50.481 | ||
315 | 1 | 191 | HIS | CB | C | 29.717 | ||
316 | 1 | 191 | HIS | CG | C | 127.2 | ||
317 | 1 | 191 | HIS | CE1 | C | 135.106 | ||
318 | 1 | 191 | HIS | N | N | 128.229 | ||
319 | 1 | 192 | GLY | C | C | 170.969 | ||
320 | 1 | 192 | GLY | CA | C | 44.943 | ||
321 | 1 | 192 | GLY | N | N | 108.718 | ||
322 | 1 | 193 | ALA | C | C | 174.544 | ||
323 | 1 | 193 | ALA | CA | C | 49.537 | ||
324 | 1 | 193 | ALA | CB | C | 18.01 | ||
325 | 1 | 193 | ALA | N | N | 121.808 | ||
326 | 1 | 194 | GLU | CA | C | 53.637 | ||
327 | 1 | 194 | GLU | CB | C | 31.744 | ||
328 | 1 | 194 | GLU | CG | C | 34.681 | ||
329 | 1 | 194 | GLU | N | N | 121.829 |