Chain sequence(s) |
A: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSSLHTLFGDELCKVASLRRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMRREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA
B: DTHKSEIAHRFKDLGEEHFKGLVLIAFSQYLQQCPFDEHVKLVNELTEFAKTCVADESHAGCEKSLHTLFGDDELCKVASLRETYGDMADCCEKQEPERNECFLSHKDDSPDLPKLKPDPNTLCDEFKADEKKFWGKYLYEIARRHPYFYAPELLYYANKYNGVFQECCQAEDKGACLLPKIETMREKVLTSSARQRLRCASIQKFGERALKAWSVARLSQKFPKAEFVEVTKLVTDLTKVHKECCHGDLLECADDRADLAKYICDNQDTISSKLKECCDKPLLEKSHCIAEVEKDAIPENLPPLTADFAEDKDVCKNYQEAKDAFLGSFLYEYSRRHPEYAVSVLLRLAKEYEATLEECCAKDDPHACYSTVFDKLKHLVDEPQNLIKQNCDQFEKLGEYGFQNALIVRYTRKVPQVSTPTLVEVSRSLGKVGTRRCCTKPESERMPCTEDYLSLILNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYVPKAFDEKLFTFHADICTLPDTEKQIKKQTALVELLKHKPKATEEQLKTVMENFVAFVDKCCAADDKEACFAVEGPKLVVSTQTALA input PDB |
Selected Chain(s) | A,B |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:28:31) [INFO] Main: Simulation completed successfully. (00:28:45) |
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan3D score | mutation |
---|---|---|---|---|
residue index | residue name | chain | Aggrescan3D score | |
1 | D | A | -2.2088 | |
2 | T | A | -1.8285 | |
3 | H | A | -2.4584 | |
4 | K | A | -3.0600 | |
5 | S | A | 0.0000 | |
6 | E | A | -2.1673 | |
7 | I | A | 0.0000 | |
8 | A | A | 0.0000 | |
9 | H | A | -2.2348 | |
10 | R | A | -2.0249 | |
11 | F | A | -2.4667 | |
12 | K | A | -3.0922 | |
13 | D | A | -3.0831 | |
14 | L | A | -2.2701 | |
15 | G | A | -2.4582 | |
16 | E | A | -3.2540 | |
17 | E | A | -2.8493 | |
18 | H | A | -2.0895 | |
19 | F | A | 0.0000 | |
20 | K | A | -1.8515 | |
21 | G | A | 0.0000 | |
22 | L | A | 0.0000 | |
23 | V | A | 0.0000 | |
24 | L | A | 0.0000 | |
25 | I | A | 0.0000 | |
26 | A | A | 0.0000 | |
27 | F | A | 0.0000 | |
28 | S | A | 0.0000 | |
29 | Q | A | 0.0000 | |
30 | Y | A | 0.0000 | |
31 | L | A | 0.0000 | |
32 | Q | A | 0.0000 | |
33 | Q | A | -1.5068 | |
34 | C | A | 0.0000 | |
35 | P | A | -1.1441 | |
36 | F | A | -1.3662 | |
37 | D | A | -2.3440 | |
38 | E | A | -1.9388 | |
39 | H | A | 0.0000 | |
40 | V | A | -1.6160 | |
41 | K | A | -2.3110 | |
42 | L | A | -1.7321 | |
43 | V | A | 0.0000 | |
44 | N | A | -2.2907 | |
45 | E | A | -2.9130 | |
46 | L | A | 0.0000 | |
47 | T | A | 0.0000 | |
48 | E | A | -2.9794 | |
49 | F | A | -1.6356 | |
50 | A | A | 0.0000 | |
51 | K | A | -2.6168 | |
52 | T | A | -1.8464 | |
53 | C | A | 0.0000 | |
54 | V | A | -1.3261 | |
55 | A | A | -1.3599 | |
56 | D | A | -2.7586 | |
57 | E | A | -3.0930 | |
58 | S | A | -2.2249 | |
59 | H | A | -2.1773 | |
60 | A | A | -1.3431 | |
61 | G | A | -1.2864 | |
62 | C | A | 0.0000 | |
63 | E | A | -3.1672 | |
64 | K | A | -1.9224 | |
65 | S | A | -1.2644 | |
66 | L | A | -0.6575 | |
67 | H | A | -0.7208 | |
68 | T | A | 0.0000 | |
69 | L | A | 0.0000 | |
70 | F | A | -0.1289 | |
71 | G | A | 0.0000 | |
72 | D | A | -0.8564 | |
73 | E | A | -1.2544 | |
74 | L | A | 0.0000 | |
75 | C | A | -1.4353 | |
76 | K | A | -1.7904 | |
77 | V | A | 0.0000 | |
78 | A | A | -0.9662 | |
79 | S | A | -1.4127 | |
80 | L | A | 0.0000 | |
81 | R | A | -3.4885 | |
82 | E | A | -3.0079 | |
83 | T | A | -1.9778 | |
84 | Y | A | -1.8271 | |
85 | G | A | -2.6636 | |
86 | D | A | -3.0559 | |
87 | M | A | 0.0000 | |
88 | A | A | -2.8546 | |
89 | D | A | -3.3868 | |
90 | C | A | 0.0000 | |
91 | C | A | -2.5637 | |
92 | E | A | -3.2477 | |
93 | K | A | -3.7148 | |
94 | Q | A | -3.2357 | |
95 | E | A | -3.1348 | |
96 | P | A | -2.7231 | |
97 | E | A | -3.4895 | |
98 | R | A | -3.3149 | |
99 | N | A | 0.0000 | |
100 | E | A | -2.7971 | |
101 | C | A | -1.9327 | |
102 | F | A | 0.0000 | |
103 | L | A | -0.8123 | |
104 | S | A | -0.8361 | |
105 | H | A | -0.9894 | |
106 | K | A | 0.0000 | |
107 | D | A | -1.3754 | |
108 | D | A | 0.0000 | |
109 | S | A | -1.0480 | |
110 | P | A | -1.4912 | |
111 | D | A | -2.3091 | |
112 | L | A | -1.3469 | |
113 | P | A | -1.2796 | |
114 | K | A | -1.7305 | |
115 | L | A | -0.4197 | |
116 | K | A | -1.8504 | |
117 | P | A | -1.4061 | |
118 | D | A | -2.1637 | |
119 | P | A | -2.1560 | |
120 | N | A | -2.4567 | |
121 | T | A | -1.9274 | |
122 | L | A | -1.9537 | |
123 | C | A | 0.0000 | |
124 | D | A | -3.3718 | |
125 | E | A | -3.3265 | |
126 | F | A | -3.3570 | |
127 | K | A | -3.5634 | |
128 | A | A | -2.7960 | |
129 | D | A | -3.7418 | |
130 | E | A | -4.2896 | |
131 | K | A | -3.9841 | |
132 | K | A | -3.2962 | |
133 | F | A | 0.0000 | |
134 | W | A | 0.0000 | |
135 | G | A | -1.5673 | |
136 | K | A | -1.4656 | |
137 | Y | A | -0.5645 | |
138 | L | A | 0.0000 | |
139 | Y | A | 0.0000 | |
140 | E | A | -0.1272 | |
141 | I | A | -0.0067 | |
142 | A | A | 0.0000 | |
143 | R | A | 0.0000 | |
144 | R | A | -0.9268 | |
145 | H | A | -0.2516 | |
146 | P | A | 0.0000 | |
147 | Y | A | -0.1128 | |
148 | F | A | 0.0000 | |
149 | Y | A | 0.0000 | |
150 | A | A | 0.0000 | |
151 | P | A | 0.0000 | |
152 | E | A | -0.3450 | |
153 | L | A | 0.0000 | |
154 | L | A | 0.0000 | |
155 | Y | A | 0.0000 | |
156 | Y | A | 0.0000 | |
157 | A | A | 0.0000 | |
158 | N | A | -1.0626 | |
159 | K | A | -1.3006 | |
160 | Y | A | 0.0000 | |
161 | N | A | -1.7380 | |
162 | G | A | -1.5352 | |
163 | V | A | 0.0000 | |
164 | F | A | 0.0000 | |
165 | Q | A | -2.8582 | |
166 | E | A | -2.7653 | |
167 | C | A | 0.0000 | |
168 | C | A | 0.0000 | |
169 | Q | A | -2.6030 | |
170 | A | A | -2.4425 | |
171 | E | A | -3.0803 | |
172 | D | A | -3.0768 | |
173 | K | A | -2.4690 | |
174 | G | A | -1.5123 | |
175 | A | A | -0.9613 | |
176 | C | A | -1.2519 | |
177 | L | A | 0.0000 | |
178 | L | A | -0.8726 | |
179 | P | A | -1.2464 | |
180 | K | A | -1.6373 | |
181 | I | A | 0.0000 | |
182 | E | A | -3.0691 | |
183 | T | A | -2.4377 | |
184 | M | A | 0.0000 | |
185 | R | A | -2.5931 | |
186 | E | A | -3.0342 | |
187 | K | A | -2.6390 | |
188 | V | A | 0.0000 | |
189 | L | A | -0.1634 | |
190 | T | A | -0.7366 | |
191 | S | A | -0.6889 | |
192 | S | A | 0.0000 | |
193 | A | A | -0.3062 | |
194 | R | A | -0.5713 | |
195 | Q | A | 0.0000 | |
196 | R | A | -0.4801 | |
197 | L | A | -0.3631 | |
198 | R | A | -0.7133 | |
199 | C | A | 0.0000 | |
200 | A | A | -0.8421 | |
201 | S | A | 0.0000 | |
202 | I | A | -1.8624 | |
203 | Q | A | -2.0926 | |
204 | K | A | -2.0045 | |
205 | F | A | -1.4884 | |
206 | G | A | -1.9041 | |
207 | E | A | -2.8290 | |
208 | R | A | -2.9200 | |
209 | A | A | -1.6907 | |
210 | L | A | 0.0000 | |
211 | K | A | -2.2873 | |
212 | A | A | -1.3773 | |
213 | W | A | -0.7030 | |
214 | S | A | 0.0000 | |
215 | V | A | 0.0000 | |
216 | A | A | 0.0000 | |
217 | R | A | -0.7149 | |
218 | L | A | 0.0000 | |
219 | S | A | 0.0000 | |
220 | Q | A | 0.0000 | |
221 | K | A | 0.0000 | |
222 | F | A | 0.0000 | |
223 | P | A | 0.0000 | |
224 | K | A | -2.1062 | |
225 | A | A | 0.0000 | |
226 | E | A | -1.5467 | |
227 | F | A | -0.0508 | |
228 | V | A | 1.0273 | |
229 | E | A | -0.4038 | |
230 | V | A | 0.0000 | |
231 | T | A | -0.4054 | |
232 | K | A | -1.0172 | |
233 | L | A | 0.0000 | |
234 | V | A | 0.0000 | |
235 | T | A | -1.3437 | |
236 | D | A | -1.9362 | |
237 | L | A | -1.1799 | |
238 | T | A | 0.0000 | |
239 | K | A | -2.1752 | |
240 | V | A | 0.0000 | |
241 | H | A | 0.0000 | |
242 | K | A | -1.9041 | |
243 | E | A | -1.5591 | |
244 | C | A | 0.0000 | |
245 | C | A | 0.0000 | |
246 | H | A | -1.2433 | |
247 | G | A | -0.7998 | |
248 | D | A | -0.7592 | |
249 | L | A | 0.0000 | |
250 | L | A | 0.0000 | |
251 | E | A | -1.2617 | |
252 | C | A | 0.0000 | |
253 | A | A | 0.0000 | |
254 | D | A | -1.7129 | |
255 | D | A | -2.2447 | |
256 | R | A | 0.0000 | |
257 | A | A | -1.7108 | |
258 | D | A | -2.7911 | |
259 | L | A | 0.0000 | |
260 | A | A | 0.0000 | |
261 | K | A | -2.6814 | |
262 | Y | A | -1.6991 | |
263 | I | A | 0.0000 | |
264 | C | A | -2.4208 | |
265 | D | A | -2.5834 | |
266 | N | A | -2.0890 | |
267 | Q | A | -2.2594 | |
268 | D | A | -2.8001 | |
269 | T | A | -1.9722 | |
270 | I | A | 0.0000 | |
271 | S | A | 0.0000 | |
272 | S | A | -2.1455 | |
273 | K | A | -2.7722 | |
274 | L | A | 0.0000 | |
275 | K | A | -3.6718 | |
276 | E | A | -3.6701 | |
277 | C | A | 0.0000 | |
278 | C | A | -3.0871 | |
279 | D | A | -3.4858 | |
280 | K | A | -3.1529 | |
281 | P | A | -1.2677 | |
282 | L | A | -0.4679 | |
283 | L | A | 0.0000 | |
284 | E | A | -1.2560 | |
285 | K | A | -1.8744 | |
286 | S | A | 0.0000 | |
287 | H | A | -0.9286 | |
288 | C | A | -1.6207 | |
289 | I | A | 0.0000 | |
290 | A | A | -1.2296 | |
291 | E | A | -2.3375 | |
292 | V | A | 0.0000 | |
293 | E | A | -2.8954 | |
294 | K | A | -2.1340 | |
295 | D | A | 0.0000 | |
296 | A | A | -0.5773 | |
297 | I | A | -0.3612 | |
298 | P | A | -1.2405 | |
299 | E | A | -2.1629 | |
300 | N | A | -2.0011 | |
301 | L | A | -0.9604 | |
302 | P | A | -0.9643 | |
303 | P | A | -0.6989 | |
304 | L | A | -0.6550 | |
305 | T | A | -1.0779 | |
306 | A | A | -1.5936 | |
307 | D | A | -2.8706 | |
308 | F | A | 0.0000 | |
309 | A | A | 0.0000 | |
310 | E | A | -3.1670 | |
311 | D | A | -3.4522 | |
312 | K | A | -3.4402 | |
313 | D | A | -3.0547 | |
314 | V | A | 0.0000 | |
315 | C | A | -2.4427 | |
316 | K | A | -3.4985 | |
317 | N | A | -3.2672 | |
318 | Y | A | 0.0000 | |
319 | Q | A | -3.5602 | |
320 | E | A | -3.5103 | |
321 | A | A | -2.6215 | |
322 | K | A | -3.3734 | |
323 | D | A | -2.9954 | |
324 | A | A | -1.5186 | |
325 | F | A | -1.3714 | |
326 | L | A | -1.1092 | |
327 | G | A | -0.8838 | |
328 | S | A | -0.2961 | |
329 | F | A | 0.0000 | |
330 | L | A | 0.0000 | |
331 | Y | A | 0.0000 | |
332 | E | A | -0.7142 | |
333 | Y | A | 0.0000 | |
334 | S | A | 0.0000 | |
335 | R | A | -0.9129 | |
336 | R | A | -0.4651 | |
337 | H | A | -0.8149 | |
338 | P | A | -1.1637 | |
339 | E | A | -2.1525 | |
340 | Y | A | -0.9943 | |
341 | A | A | 0.0000 | |
342 | V | A | -0.1027 | |
343 | S | A | 0.0968 | |
344 | V | A | 0.0000 | |
345 | L | A | 0.0000 | |
346 | L | A | -0.0818 | |
347 | R | A | 0.0000 | |
348 | L | A | 0.0000 | |
349 | A | A | -0.8518 | |
350 | K | A | -1.5097 | |
351 | E | A | -1.7456 | |
352 | Y | A | 0.0000 | |
353 | E | A | -2.5145 | |
354 | A | A | -2.0027 | |
355 | T | A | -1.9110 | |
356 | L | A | 0.0000 | |
357 | E | A | -3.2685 | |
358 | E | A | -3.0774 | |
359 | C | A | 0.0000 | |
360 | C | A | -2.3582 | |
361 | A | A | -2.3120 | |
362 | K | A | -3.5531 | |
363 | D | A | -3.4178 | |
364 | D | A | -3.1698 | |
365 | P | A | -2.5277 | |
366 | H | A | -2.0718 | |
367 | A | A | -1.2022 | |
368 | C | A | -1.0981 | |
369 | Y | A | 0.0000 | |
370 | S | A | -1.1122 | |
371 | T | A | -1.0740 | |
372 | V | A | 0.0000 | |
373 | F | A | -1.7606 | |
374 | D | A | -3.2879 | |
375 | K | A | -3.2817 | |
376 | L | A | 0.0000 | |
377 | K | A | -3.3568 | |
378 | H | A | -3.3685 | |
379 | L | A | -2.3581 | |
380 | V | A | -1.9665 | |
381 | D | A | -3.3627 | |
382 | E | A | -3.2603 | |
383 | P | A | 0.0000 | |
384 | Q | A | -2.6851 | |
385 | N | A | -2.8751 | |
386 | L | A | -1.8080 | |
387 | I | A | 0.0000 | |
388 | K | A | -3.5078 | |
389 | Q | A | -3.0235 | |
390 | N | A | -2.4616 | |
391 | C | A | 0.0000 | |
392 | D | A | -3.8057 | |
393 | Q | A | -2.7831 | |
394 | F | A | -2.5479 | |
395 | E | A | -3.3053 | |
396 | K | A | -2.9788 | |
397 | L | A | -1.1247 | |
398 | G | A | -1.4547 | |
399 | E | A | -1.5396 | |
400 | Y | A | -0.4033 | |
401 | G | A | -0.4325 | |
402 | F | A | 0.0000 | |
403 | Q | A | 0.0000 | |
404 | N | A | -0.3291 | |
405 | A | A | -0.4950 | |
406 | L | A | 0.0000 | |
407 | I | A | 0.0000 | |
408 | V | A | -0.6657 | |
409 | R | A | -1.1434 | |
410 | Y | A | 0.0000 | |
411 | T | A | 0.0000 | |
412 | R | A | -1.4315 | |
413 | K | A | -0.9309 | |
414 | V | A | 0.0000 | |
415 | P | A | 0.0000 | |
416 | Q | A | -1.2861 | |
417 | V | A | 0.0000 | |
418 | S | A | -0.4316 | |
419 | T | A | 0.0000 | |
420 | P | A | -0.6911 | |
421 | T | A | 0.0000 | |
422 | L | A | 0.0000 | |
423 | V | A | 0.0000 | |
424 | E | A | -1.9917 | |
425 | V | A | 0.0000 | |
426 | S | A | 0.0000 | |
427 | R | A | -1.1507 | |
428 | S | A | -0.9779 | |
429 | L | A | -0.6747 | |
430 | G | A | 0.0000 | |
431 | K | A | -1.3643 | |
432 | V | A | 0.0000 | |
433 | G | A | 0.0000 | |
434 | T | A | -1.2475 | |
435 | R | A | -1.1077 | |
436 | C | A | 0.0000 | |
437 | C | A | 0.0000 | |
438 | T | A | -1.3083 | |
439 | K | A | -1.8618 | |
440 | P | A | -2.0984 | |
441 | E | A | -3.0201 | |
442 | S | A | -2.3958 | |
443 | E | A | -2.9157 | |
444 | R | A | -2.3118 | |
445 | M | A | 0.0000 | |
446 | P | A | -1.0085 | |
447 | C | A | -0.7640 | |
448 | T | A | 0.0000 | |
449 | E | A | 0.0000 | |
450 | D | A | -0.3569 | |
451 | Y | A | -0.2725 | |
452 | L | A | 0.0000 | |
453 | S | A | -0.2167 | |
454 | L | A | 0.0000 | |
455 | I | A | 0.0000 | |
456 | L | A | 0.0000 | |
457 | N | A | 0.0000 | |
458 | R | A | -1.2051 | |
459 | L | A | 0.0000 | |
460 | C | A | 0.0000 | |
461 | V | A | 0.0000 | |
462 | L | A | -1.0368 | |
463 | H | A | 0.0000 | |
464 | E | A | -2.3280 | |
465 | K | A | -1.9080 | |
466 | T | A | -1.0172 | |
467 | P | A | -1.2528 | |
468 | V | A | -0.6070 | |
469 | S | A | 0.0000 | |
470 | E | A | -2.2544 | |
471 | K | A | -1.5389 | |
472 | V | A | 0.0000 | |
473 | T | A | -1.8720 | |
474 | K | A | -2.1599 | |
475 | C | A | 0.0000 | |
476 | C | A | 0.0000 | |
477 | T | A | -1.6559 | |
478 | E | A | -2.0888 | |
479 | S | A | -1.1368 | |
480 | L | A | -0.2255 | |
481 | V | A | -0.0319 | |
482 | N | A | -0.3880 | |
483 | R | A | 0.0000 | |
484 | R | A | 0.0000 | |
485 | P | A | -0.1762 | |
486 | C | A | -0.2554 | |
487 | F | A | 0.0000 | |
488 | S | A | 0.0240 | |
489 | A | A | 0.0980 | |
490 | L | A | -0.0855 | |
491 | T | A | -0.7363 | |
492 | P | A | -1.4458 | |
493 | D | A | -1.4818 | |
494 | E | A | -2.0803 | |
495 | T | A | -0.7173 | |
496 | Y | A | -0.2161 | |
497 | V | A | 0.9162 | |
498 | P | A | -0.4749 | |
499 | K | A | -1.1901 | |
500 | A | A | -0.4827 | |
501 | F | A | -0.6130 | |
502 | D | A | -1.6152 | |
503 | E | A | -2.4692 | |
504 | K | A | -2.3508 | |
505 | L | A | -0.9500 | |
506 | F | A | -0.6381 | |
507 | T | A | -0.9464 | |
508 | F | A | -1.0736 | |
509 | H | A | -1.9182 | |
510 | A | A | -2.2782 | |
511 | D | A | -2.5182 | |
512 | I | A | 0.0000 | |
513 | C | A | -1.0916 | |
514 | T | A | -1.4655 | |
515 | L | A | -1.0178 | |
516 | P | A | -1.4318 | |
517 | D | A | -1.7589 | |
518 | T | A | -1.2929 | |
519 | E | A | -1.9129 | |
520 | K | A | -1.7110 | |
521 | Q | A | -1.1545 | |
522 | I | A | -1.1620 | |
523 | K | A | -1.3466 | |
524 | K | A | -0.6789 | |
525 | Q | A | 0.0000 | |
526 | T | A | -0.5363 | |
527 | A | A | -0.1844 | |
528 | L | A | 0.0000 | |
529 | V | A | 0.0000 | |
530 | E | A | -0.4336 | |
531 | L | A | 0.0000 | |
532 | L | A | 0.0000 | |
533 | K | A | 0.0000 | |
534 | H | A | -0.8505 | |
535 | K | A | -1.2266 | |
536 | P | A | -1.4284 | |
537 | K | A | -2.3493 | |
538 | A | A | 0.0000 | |
539 | T | A | -2.3861 | |
540 | E | A | -3.4952 | |
541 | E | A | -3.5166 | |
542 | Q | A | -2.4154 | |
543 | L | A | 0.0000 | |
544 | K | A | -3.4839 | |
545 | T | A | -2.4361 | |
546 | V | A | 0.0000 | |
547 | M | A | -0.9907 | |
548 | E | A | -1.8558 | |
549 | N | A | -1.2775 | |
550 | F | A | -0.2839 | |
551 | V | A | 0.5585 | |
552 | A | A | -0.5030 | |
553 | F | A | 0.0000 | |
554 | V | A | -0.3921 | |
555 | D | A | -1.4532 | |
556 | K | A | -1.5685 | |
557 | C | A | 0.0000 | |
558 | C | A | -1.7165 | |
559 | A | A | -1.3509 | |
560 | A | A | -2.1581 | |
561 | D | A | -2.8983 | |
562 | D | A | -3.3561 | |
563 | K | A | -2.8820 | |
564 | E | A | -2.9030 | |
565 | A | A | -1.4850 | |
566 | C | A | -1.2892 | |
567 | F | A | 0.0000 | |
568 | A | A | -0.2133 | |
569 | V | A | 0.7073 | |
570 | E | A | -0.4168 | |
571 | G | A | -0.0675 | |
572 | P | A | -0.3696 | |
573 | K | A | -0.9082 | |
574 | L | A | -0.1089 | |
575 | V | A | 0.3209 | |
576 | V | A | 1.1448 | |
577 | S | A | 0.1340 | |
578 | T | A | 0.0312 | |
579 | Q | A | 0.2553 | |
580 | T | A | 0.2220 | |
581 | A | A | 0.0208 | |
582 | L | A | 0.0000 | |
583 | A | A | -0.1898 | |
1 | D | B | -2.1902 | |
2 | T | B | -1.7105 | |
3 | H | B | -2.5838 | |
4 | K | B | -3.3886 | |
5 | S | B | 0.0000 | |
6 | E | B | -2.1309 | |
7 | I | B | 0.0000 | |
8 | A | B | 0.0000 | |
9 | H | B | -2.2164 | |
10 | R | B | -1.9335 | |
11 | F | B | 0.0000 | |
12 | K | B | -3.1185 | |
13 | D | B | -3.3610 | |
14 | L | B | 0.0000 | |
15 | G | B | -2.7402 | |
16 | E | B | -3.5554 | |
17 | E | B | -3.1840 | |
18 | H | B | -2.0992 | |
19 | F | B | 0.0000 | |
20 | K | B | -1.8218 | |
21 | G | B | 0.0000 | |
22 | L | B | 0.0000 | |
23 | V | B | 0.0000 | |
24 | L | B | 0.0000 | |
25 | I | B | 0.0000 | |
26 | A | B | 0.0000 | |
27 | F | B | 0.0000 | |
28 | S | B | 0.0000 | |
29 | Q | B | 0.0000 | |
30 | Y | B | 0.0000 | |
31 | L | B | 0.0000 | |
32 | Q | B | 0.0000 | |
33 | Q | B | -1.0590 | |
34 | C | B | 0.0000 | |
35 | P | B | -1.1822 | |
36 | F | B | -1.5861 | |
37 | D | B | -2.5788 | |
38 | E | B | -2.2564 | |
39 | H | B | 0.0000 | |
40 | V | B | -1.9682 | |
41 | K | B | -2.8137 | |
42 | L | B | 0.0000 | |
43 | V | B | 0.0000 | |
44 | N | B | -2.3367 | |
45 | E | B | -3.1021 | |
46 | L | B | 0.0000 | |
47 | T | B | 0.0000 | |
48 | E | B | -2.8291 | |
49 | F | B | -1.5384 | |
50 | A | B | 0.0000 | |
51 | K | B | -2.7156 | |
52 | T | B | -1.6919 | |
53 | C | B | 0.0000 | |
54 | V | B | -1.6068 | |
55 | A | B | -1.3266 | |
56 | D | B | -2.6475 | |
57 | E | B | -3.5595 | |
58 | S | B | -2.3165 | |
59 | H | B | -1.8636 | |
60 | A | B | -1.1713 | |
61 | G | B | -1.1647 | |
62 | C | B | 0.0000 | |
63 | E | B | -3.3298 | |
64 | K | B | -2.1174 | |
65 | S | B | -1.1897 | |
66 | L | B | 0.0000 | |
67 | H | B | -0.8410 | |
68 | T | B | -0.8660 | |
69 | L | B | -0.6909 | |
70 | F | B | -0.2751 | |
71 | G | B | 0.0000 | |
72 | D | B | -1.3852 | |
73 | E | B | -1.5603 | |
74 | L | B | 0.0000 | |
75 | C | B | -1.6781 | |
76 | K | B | -1.9617 | |
77 | V | B | 0.0000 | |
78 | A | B | -1.0759 | |
79 | S | B | -1.4578 | |
80 | L | B | 0.0000 | |
81 | R | B | -3.4315 | |
82 | E | B | -2.9602 | |
83 | T | B | -1.9235 | |
84 | Y | B | -1.8336 | |
85 | G | B | -2.3410 | |
86 | D | B | -3.0676 | |
87 | M | B | 0.0000 | |
88 | A | B | -2.8457 | |
89 | D | B | -3.4704 | |
90 | C | B | 0.0000 | |
91 | C | B | -2.6910 | |
92 | E | B | -3.2014 | |
93 | K | B | -3.6642 | |
94 | Q | B | -2.9975 | |
95 | E | B | -2.4043 | |
96 | P | B | -2.3418 | |
97 | E | B | -3.3723 | |
98 | R | B | -3.2221 | |
99 | N | B | 0.0000 | |
100 | E | B | -2.6788 | |
101 | C | B | -2.1222 | |
102 | F | B | 0.0000 | |
103 | L | B | -1.0371 | |
104 | S | B | -0.8728 | |
105 | H | B | -1.1499 | |
106 | K | B | -0.6916 | |
107 | D | B | -1.2538 | |
108 | D | B | -1.1479 | |
109 | S | B | -1.1111 | |
110 | P | B | -1.3660 | |
111 | D | B | -2.1256 | |
112 | L | B | -1.2736 | |
113 | P | B | -1.4379 | |
114 | K | B | -2.2402 | |
115 | L | B | -1.1424 | |
116 | K | B | -2.1717 | |
117 | P | B | -1.5050 | |
118 | D | B | -1.8757 | |
119 | P | B | -1.8445 | |
120 | N | B | -2.4716 | |
121 | T | B | -1.8966 | |
122 | L | B | -1.7149 | |
123 | C | B | 0.0000 | |
124 | D | B | -3.2788 | |
125 | E | B | -3.4177 | |
126 | F | B | -3.1374 | |
127 | K | B | -3.1874 | |
128 | A | B | -2.7392 | |
129 | D | B | -3.5170 | |
130 | E | B | -3.3204 | |
131 | K | B | -3.4484 | |
132 | K | B | -2.8850 | |
133 | F | B | 0.0000 | |
134 | W | B | -1.7367 | |
135 | G | B | 0.0000 | |
136 | K | B | -1.3287 | |
137 | Y | B | -0.6768 | |
138 | L | B | 0.0000 | |
139 | Y | B | 0.0000 | |
140 | E | B | -0.2906 | |
141 | I | B | 0.0000 | |
142 | A | B | 0.0000 | |
143 | R | B | 0.0000 | |
144 | R | B | -0.9057 | |
145 | H | B | -0.4123 | |
146 | P | B | 0.0000 | |
147 | Y | B | -0.1584 | |
148 | F | B | 0.0000 | |
149 | Y | B | 0.0000 | |
150 | A | B | 0.0000 | |
151 | P | B | -0.2459 | |
152 | E | B | -0.4597 | |
153 | L | B | 0.0000 | |
154 | L | B | 0.0000 | |
155 | Y | B | 0.0000 | |
156 | Y | B | 0.0000 | |
157 | A | B | 0.0000 | |
158 | N | B | -1.5798 | |
159 | K | B | -1.6449 | |
160 | Y | B | -0.9855 | |
161 | N | B | 0.0000 | |
162 | G | B | -1.6187 | |
163 | V | B | 0.0000 | |
164 | F | B | 0.0000 | |
165 | Q | B | -2.7594 | |
166 | E | B | -2.7308 | |
167 | C | B | 0.0000 | |
168 | C | B | 0.0000 | |
169 | Q | B | -2.5507 | |
170 | A | B | -2.3302 | |
171 | E | B | -3.0422 | |
172 | D | B | -3.1085 | |
173 | K | B | -2.3110 | |
174 | G | B | -1.4364 | |
175 | A | B | -0.8199 | |
176 | C | B | -1.0773 | |
177 | L | B | 0.0000 | |
178 | L | B | -0.5642 | |
179 | P | B | -0.9736 | |
180 | K | B | -1.5369 | |
181 | I | B | -1.8377 | |
182 | E | B | -2.9599 | |
183 | T | B | -2.2688 | |
184 | M | B | 0.0000 | |
185 | R | B | -2.8638 | |
186 | E | B | -2.8654 | |
187 | K | B | -1.8170 | |
188 | V | B | 0.0000 | |
189 | L | B | -0.3733 | |
190 | T | B | -0.6039 | |
191 | S | B | -0.5490 | |
192 | S | B | -0.2632 | |
193 | A | B | -0.2251 | |
194 | R | B | -0.5136 | |
195 | Q | B | 0.0000 | |
196 | R | B | -0.5146 | |
197 | L | B | 0.0000 | |
198 | R | B | -0.7678 | |
199 | C | B | 0.0000 | |
200 | A | B | 0.0000 | |
201 | S | B | 0.0000 | |
202 | I | B | 0.0000 | |
203 | Q | B | -2.0868 | |
204 | K | B | -2.1082 | |
205 | F | B | -1.3535 | |
206 | G | B | -1.8784 | |
207 | E | B | -2.8579 | |
208 | R | B | -2.7639 | |
209 | A | B | -1.6666 | |
210 | L | B | 0.0000 | |
211 | K | B | -2.2753 | |
212 | A | B | -1.3680 | |
213 | W | B | -0.6911 | |
214 | S | B | 0.0000 | |
215 | V | B | 0.0000 | |
216 | A | B | 0.0000 | |
217 | R | B | -0.6365 | |
218 | L | B | -0.2418 | |
219 | S | B | 0.0000 | |
220 | Q | B | 0.0000 | |
221 | K | B | -1.2969 | |
222 | F | B | 0.0000 | |
223 | P | B | 0.0000 | |
224 | K | B | -1.9569 | |
225 | A | B | 0.0000 | |
226 | E | B | -1.6172 | |
227 | F | B | -0.1148 | |
228 | V | B | 1.0472 | |
229 | E | B | -0.2374 | |
230 | V | B | 0.0000 | |
231 | T | B | -0.1688 | |
232 | K | B | -0.5681 | |
233 | L | B | 0.0000 | |
234 | V | B | 0.0000 | |
235 | T | B | -1.2160 | |
236 | D | B | -1.9694 | |
237 | L | B | -1.2503 | |
238 | T | B | 0.0000 | |
239 | K | B | -2.6582 | |
240 | V | B | 0.0000 | |
241 | H | B | 0.0000 | |
242 | K | B | -1.8608 | |
243 | E | B | -1.4930 | |
244 | C | B | 0.0000 | |
245 | C | B | 0.0000 | |
246 | H | B | -0.9156 | |
247 | G | B | -0.6250 | |
248 | D | B | -0.6298 | |
249 | L | B | 0.0000 | |
250 | L | B | 0.0000 | |
251 | E | B | -1.3062 | |
252 | C | B | 0.0000 | |
253 | A | B | 0.0000 | |
254 | D | B | -1.7646 | |
255 | D | B | -2.7760 | |
256 | R | B | -1.9036 | |
257 | A | B | -1.8792 | |
258 | D | B | -3.0739 | |
259 | L | B | 0.0000 | |
260 | A | B | 0.0000 | |
261 | K | B | -2.7145 | |
262 | Y | B | -1.7504 | |
263 | I | B | 0.0000 | |
264 | C | B | -2.1830 | |
265 | D | B | -2.6214 | |
266 | N | B | -2.1390 | |
267 | Q | B | -2.1902 | |
268 | D | B | -2.5306 | |
269 | T | B | -2.0075 | |
270 | I | B | 0.0000 | |
271 | S | B | 0.0000 | |
272 | S | B | -1.7631 | |
273 | K | B | -2.0147 | |
274 | L | B | 0.0000 | |
275 | K | B | -3.2267 | |
276 | E | B | -3.4394 | |
277 | C | B | 0.0000 | |
278 | C | B | -2.8680 | |
279 | D | B | -3.2178 | |
280 | K | B | -2.5865 | |
281 | P | B | -1.0720 | |
282 | L | B | -0.4452 | |
283 | L | B | -0.6138 | |
284 | E | B | -1.7234 | |
285 | K | B | -1.6983 | |
286 | S | B | -1.0072 | |
287 | H | B | -1.0384 | |
288 | C | B | -1.5526 | |
289 | I | B | 0.0000 | |
290 | A | B | -1.3208 | |
291 | E | B | -2.3234 | |
292 | V | B | 0.0000 | |
293 | E | B | -2.6799 | |
294 | K | B | -1.8558 | |
295 | D | B | 0.0000 | |
296 | A | B | -0.4127 | |
297 | I | B | 0.0030 | |
298 | P | B | -1.0601 | |
299 | E | B | -2.2390 | |
300 | N | B | -1.9366 | |
301 | L | B | -0.8448 | |
302 | P | B | -0.8570 | |
303 | P | B | -0.7770 | |
304 | L | B | -0.5497 | |
305 | T | B | -1.0906 | |
306 | A | B | -1.7509 | |
307 | D | B | -2.8323 | |
308 | F | B | 0.0000 | |
309 | A | B | 0.0000 | |
310 | E | B | -3.2069 | |
311 | D | B | -3.5664 | |
312 | K | B | -3.9709 | |
313 | D | B | -4.3345 | |
314 | V | B | 0.0000 | |
315 | C | B | -2.8656 | |
316 | K | B | -4.0039 | |
317 | N | B | -4.0708 | |
318 | Y | B | 0.0000 | |
319 | Q | B | -3.6514 | |
320 | E | B | -3.5884 | |
321 | A | B | -2.4891 | |
322 | K | B | -2.7277 | |
323 | D | B | -2.2945 | |
324 | A | B | -1.1618 | |
325 | F | B | 0.0000 | |
326 | L | B | 0.0000 | |
327 | G | B | -0.8240 | |
328 | S | B | -0.1225 | |
329 | F | B | 0.0000 | |
330 | L | B | 0.0000 | |
331 | Y | B | 0.0000 | |
332 | E | B | -0.7170 | |
333 | Y | B | 0.0000 | |
334 | S | B | 0.0000 | |
335 | R | B | -0.5474 | |
336 | R | B | -0.5300 | |
337 | H | B | -0.9331 | |
338 | P | B | -1.2241 | |
339 | E | B | -2.1580 | |
340 | Y | B | -1.0108 | |
341 | A | B | -0.6693 | |
342 | V | B | 0.0000 | |
343 | S | B | 0.0000 | |
344 | V | B | 0.0000 | |
345 | L | B | 0.0000 | |
346 | L | B | 0.0000 | |
347 | R | B | 0.0000 | |
348 | L | B | 0.0000 | |
349 | A | B | 0.0000 | |
350 | K | B | -1.7041 | |
351 | E | B | -1.7762 | |
352 | Y | B | 0.0000 | |
353 | E | B | -1.9161 | |
354 | A | B | -1.6118 | |
355 | T | B | 0.0000 | |
356 | L | B | 0.0000 | |
357 | E | B | -2.4524 | |
358 | E | B | -2.8476 | |
359 | C | B | 0.0000 | |
360 | C | B | -1.9841 | |
361 | A | B | -1.9782 | |
362 | K | B | -3.3788 | |
363 | D | B | -3.3123 | |
364 | D | B | -3.3247 | |
365 | P | B | -2.4632 | |
366 | H | B | -1.9952 | |
367 | A | B | -0.8702 | |
368 | C | B | -0.8028 | |
369 | Y | B | 0.0000 | |
370 | S | B | -1.0782 | |
371 | T | B | -1.0577 | |
372 | V | B | 0.0000 | |
373 | F | B | -1.6964 | |
374 | D | B | -3.2612 | |
375 | K | B | -3.1954 | |
376 | L | B | 0.0000 | |
377 | K | B | -3.5308 | |
378 | H | B | -3.3514 | |
379 | L | B | -2.2872 | |
380 | V | B | -1.8937 | |
381 | D | B | -3.2258 | |
382 | E | B | -2.7708 | |
383 | P | B | 0.0000 | |
384 | Q | B | -2.6187 | |
385 | N | B | -2.8854 | |
386 | L | B | -2.0023 | |
387 | I | B | 0.0000 | |
388 | K | B | -3.5965 | |
389 | Q | B | -3.1471 | |
390 | N | B | -2.7692 | |
391 | C | B | 0.0000 | |
392 | D | B | -3.7847 | |
393 | Q | B | -2.7981 | |
394 | F | B | -2.4047 | |
395 | E | B | -3.2601 | |
396 | K | B | -3.0477 | |
397 | L | B | -1.3813 | |
398 | G | B | -1.5040 | |
399 | E | B | -1.2196 | |
400 | Y | B | -0.4498 | |
401 | G | B | -0.5633 | |
402 | F | B | 0.0000 | |
403 | Q | B | 0.0000 | |
404 | N | B | -0.3746 | |
405 | A | B | -0.4470 | |
406 | L | B | 0.0000 | |
407 | I | B | 0.0000 | |
408 | V | B | -0.6319 | |
409 | R | B | -0.9831 | |
410 | Y | B | -0.4335 | |
411 | T | B | 0.0000 | |
412 | R | B | -1.4124 | |
413 | K | B | -1.1831 | |
414 | V | B | 0.0000 | |
415 | P | B | 0.0000 | |
416 | Q | B | -1.1412 | |
417 | V | B | 0.0000 | |
418 | S | B | -0.3701 | |
419 | T | B | 0.0000 | |
420 | P | B | -0.5582 | |
421 | T | B | -0.5460 | |
422 | L | B | 0.0000 | |
423 | V | B | 0.0000 | |
424 | E | B | -1.0581 | |
425 | V | B | 0.0000 | |
426 | S | B | 0.0000 | |
427 | R | B | -0.8082 | |
428 | S | B | -0.7422 | |
429 | L | B | 0.0000 | |
430 | G | B | 0.0000 | |
431 | K | B | -1.3481 | |
432 | V | B | 0.0000 | |
433 | G | B | 0.0000 | |
434 | T | B | -1.1747 | |
435 | R | B | -1.0997 | |
436 | C | B | 0.0000 | |
437 | C | B | 0.0000 | |
438 | T | B | -1.1836 | |
439 | K | B | -1.8666 | |
440 | P | B | -1.9515 | |
441 | E | B | -2.8529 | |
442 | S | B | -2.2118 | |
443 | E | B | -2.4243 | |
444 | R | B | -2.0858 | |
445 | M | B | 0.0000 | |
446 | P | B | -0.8235 | |
447 | C | B | -0.7548 | |
448 | T | B | 0.0000 | |
449 | E | B | 0.0000 | |
450 | D | B | -0.2951 | |
451 | Y | B | -0.2141 | |
452 | L | B | 0.0671 | |
453 | S | B | -0.1426 | |
454 | L | B | 0.0000 | |
455 | I | B | 0.0000 | |
456 | L | B | 0.0000 | |
457 | N | B | 0.0000 | |
458 | R | B | -0.5368 | |
459 | L | B | 0.0000 | |
460 | C | B | 0.0000 | |
461 | V | B | -0.9020 | |
462 | L | B | -0.9694 | |
463 | H | B | 0.0000 | |
464 | E | B | -2.0428 | |
465 | K | B | -2.3343 | |
466 | T | B | -1.0840 | |
467 | P | B | -1.0564 | |
468 | V | B | -0.1146 | |
469 | S | B | -1.2209 | |
470 | E | B | -2.3056 | |
471 | K | B | -1.7012 | |
472 | V | B | 0.0000 | |
473 | T | B | -1.9505 | |
474 | K | B | -2.4999 | |
475 | C | B | 0.0000 | |
476 | C | B | 0.0000 | |
477 | T | B | -1.6760 | |
478 | E | B | -2.1593 | |
479 | S | B | -1.3127 | |
480 | L | B | -0.4641 | |
481 | V | B | 0.0000 | |
482 | N | B | -0.7030 | |
483 | R | B | 0.0000 | |
484 | R | B | 0.0000 | |
485 | P | B | -0.2665 | |
486 | C | B | -0.4085 | |
487 | F | B | 0.0000 | |
488 | S | B | -0.0358 | |
489 | A | B | 0.0589 | |
490 | L | B | -0.1652 | |
491 | T | B | -0.8298 | |
492 | P | B | -1.6659 | |
493 | D | B | -1.9704 | |
494 | E | B | -2.4327 | |
495 | T | B | -0.8124 | |
496 | Y | B | -0.1450 | |
497 | V | B | 1.0167 | |
498 | P | B | 0.0587 | |
499 | K | B | -0.6149 | |
500 | A | B | -0.3320 | |
501 | F | B | -0.7327 | |
502 | D | B | -1.5702 | |
503 | E | B | -2.4917 | |
504 | K | B | -2.3339 | |
505 | L | B | -0.8268 | |
506 | F | B | -0.6632 | |
507 | T | B | -0.9082 | |
508 | F | B | -1.1029 | |
509 | H | B | -1.8877 | |
510 | A | B | -2.1632 | |
511 | D | B | -2.4315 | |
512 | I | B | 0.0000 | |
513 | C | B | 0.0000 | |
514 | T | B | -1.3688 | |
515 | L | B | -1.1181 | |
516 | P | B | -1.6745 | |
517 | D | B | -2.4332 | |
518 | T | B | -1.5652 | |
519 | E | B | -2.0576 | |
520 | K | B | -1.9882 | |
521 | Q | B | -1.3309 | |
522 | I | B | -1.0324 | |
523 | K | B | -1.2710 | |
524 | K | B | -0.7914 | |
525 | Q | B | 0.0000 | |
526 | T | B | -0.4452 | |
527 | A | B | -0.0775 | |
528 | L | B | 0.0000 | |
529 | V | B | 0.0000 | |
530 | E | B | 0.0000 | |
531 | L | B | 0.0000 | |
532 | L | B | 0.0000 | |
533 | K | B | 0.0000 | |
534 | H | B | -0.6513 | |
535 | K | B | -1.0437 | |
536 | P | B | -1.3965 | |
537 | K | B | -2.3648 | |
538 | A | B | 0.0000 | |
539 | T | B | -2.3401 | |
540 | E | B | -3.4983 | |
541 | E | B | -3.4843 | |
542 | Q | B | -2.3918 | |
543 | L | B | 0.0000 | |
544 | K | B | -3.5353 | |
545 | T | B | -2.5495 | |
546 | V | B | -1.6430 | |
547 | M | B | -1.4924 | |
548 | E | B | -2.1785 | |
549 | N | B | -1.6402 | |
550 | F | B | 0.0000 | |
551 | V | B | 0.1665 | |
552 | A | B | -0.6437 | |
553 | F | B | 0.0000 | |
554 | V | B | -0.3554 | |
555 | D | B | -1.0479 | |
556 | K | B | -1.6188 | |
557 | C | B | 0.0000 | |
558 | C | B | -1.6889 | |
559 | A | B | -1.3811 | |
560 | A | B | -2.2622 | |
561 | D | B | -2.8026 | |
562 | D | B | -3.1944 | |
563 | K | B | -2.6819 | |
564 | E | B | -2.7894 | |
565 | A | B | -1.3800 | |
566 | C | B | -1.1629 | |
567 | F | B | 0.0000 | |
568 | A | B | -0.0448 | |
569 | V | B | 0.9669 | |
570 | E | B | -0.0793 | |
571 | G | B | -0.0228 | |
572 | P | B | -0.3081 | |
573 | K | B | -0.9445 | |
574 | L | B | -0.2846 | |
575 | V | B | 0.0004 | |
576 | V | B | 0.8210 | |
577 | S | B | -0.1014 | |
578 | T | B | -0.2749 | |
579 | Q | B | -0.4777 | |
580 | T | B | -0.0276 | |
581 | A | B | -0.0909 | |
582 | L | B | 0.0000 | |
583 | A | B | -0.4356 |