Chain sequence(s) |
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
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | No |
pH calculations | No |
alphaCutter usage | No |
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 A chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] runJob: FoldX not utilized. Treating input pdb file as it was already optimized. (00:00:00) [INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:00:01) [INFO] Main: Simulation completed successfully. (00:00:05) |
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
residue index | residue name | chain | Aggrescan4D score | mutation |
---|---|---|---|---|
1 | M | A | 0.1036 | |
2 | N | A | -1.1069 | |
3 | Q | A | -1.1308 | |
4 | Y | A | -0.1575 | |
5 | G | A | -1.2623 | |
6 | R | A | -3.1683 | |
7 | E | A | -3.9885 | |
8 | Q | A | -3.5530 | |
9 | Q | A | -3.3523 | |
10 | D | A | -3.0027 | |
11 | T | A | -1.2349 | |
12 | G | A | 0.2425 | |
13 | L | A | 2.0504 | |
14 | V | A | 2.0764 | |
15 | G | A | 0.4453 | |
16 | S | A | -0.3192 | |
17 | G | A | -0.7709 | |
18 | T | A | -1.1393 | |
19 | G | A | -2.0972 | |
20 | H | A | -3.1194 | |
21 | R | A | -4.0576 | |
22 | D | A | -3.0667 | |
23 | E | A | -2.2576 | |
24 | Y | A | -0.5585 | |
25 | G | A | -2.0232 | |
26 | N | A | -3.0652 | |
27 | P | A | -3.5920 | |
28 | R | A | -4.0358 | |
29 | Q | A | -2.7926 | |
30 | E | A | -2.7999 | |
31 | G | A | -1.6719 | |
32 | I | A | -0.3030 | |
33 | M | A | -0.9298 | |
34 | D | A | -2.7137 | |
35 | K | A | -2.4399 | |
36 | V | A | -1.3425 | |
37 | K | A | -2.2039 | |
38 | N | A | -2.1947 | |
39 | A | A | -0.6357 | |
40 | V | A | 0.7922 | |
41 | G | A | 0.0416 | |
42 | M | A | 0.6233 | |
43 | G | A | 0.0836 | |
44 | P | A | -0.1515 | |
45 | S | A | -0.5914 | |
46 | S | A | -0.2974 | |
47 | G | A | -0.5152 | |
48 | T | A | -0.7544 | |
49 | G | A | -0.5328 | |
50 | Y | A | -0.0205 | |
51 | N | A | -2.0504 | |
52 | N | A | -1.8886 | |
53 | Q | A | -1.5621 | |
54 | P | A | -1.4365 | |
55 | G | A | -1.4126 | |
56 | Y | A | -0.1777 | |
57 | D | A | -1.6151 | |
58 | N | A | -1.7538 | |
59 | Y | A | -0.2307 | |
60 | G | A | -1.3204 | |
61 | N | A | -2.3201 | |
62 | P | A | -2.4053 | |
63 | R | A | -3.3812 | |
64 | Q | A | -2.8167 | |
65 | E | A | -2.6995 | |
66 | G | A | -1.7159 | |
67 | L | A | -0.5270 | |
68 | V | A | -0.7035 | |
69 | D | A | -2.8316 | |
70 | K | A | -2.6944 | |
71 | A | A | -1.7303 | |
72 | K | A | -2.6142 | |
73 | D | A | -2.7570 | |
74 | A | A | -0.9938 | |
75 | V | A | 0.5143 | |
76 | G | A | -0.1892 | |
77 | M | A | 0.5143 | |
78 | G | A | 0.3879 | |
79 | P | A | 0.1932 | |
80 | S | A | 0.3438 | |
81 | L | A | 1.0555 | |
82 | G | A | 0.2207 | |
83 | T | A | -0.3368 | |
84 | G | A | -0.1637 | |
85 | Y | A | 0.0700 | |
86 | N | A | -1.7240 | |
87 | N | A | -2.4893 | |
88 | Q | A | -1.7384 | |
89 | P | A | -1.5473 | |
90 | G | A | -0.7369 | |
91 | Y | A | 0.1681 | |
92 | D | A | -1.3323 | |
93 | S | A | -0.3850 | |
94 | Y | A | 0.1839 | |
95 | G | A | -1.2851 | |
96 | N | A | -2.2904 | |
97 | R | A | -2.6217 | |
98 | E | A | -2.8670 | |
99 | G | A | -1.5759 | |
100 | I | A | -0.0106 | |
101 | V | A | -0.8383 | |
102 | D | A | -2.9073 | |
103 | R | A | -2.7466 | |
104 | A | A | -1.6800 | |
105 | K | A | -2.6124 | |
106 | D | A | -2.8666 | |
107 | A | A | -1.0932 | |
108 | V | A | 0.4591 | |
109 | G | A | -0.2465 | |
110 | M | A | 0.2829 | |
111 | G | A | -0.2618 | |
112 | P | A | -0.7594 | |
113 | N | A | -1.6936 | |
114 | S | A | -1.2086 | |
115 | G | A | -0.9077 | |
116 | T | A | -1.1686 | |
117 | G | A | -0.9080 | |
118 | Y | A | -0.1721 | |
119 | N | A | -2.1361 | |
120 | N | A | -2.5644 | |
121 | Q | A | -1.8485 | |
122 | P | A | -1.4937 | |
123 | G | A | -1.4664 | |
124 | Y | A | -0.2917 | |
125 | D | A | -1.7437 | |
126 | N | A | -2.2730 | |
127 | Y | A | -0.4678 | |
128 | G | A | -1.9338 | |
129 | D | A | -3.5678 | |
130 | R | A | -4.1724 | |
131 | R | A | -4.2658 | |
132 | H | A | -3.3761 | |
133 | E | A | -3.0592 | |
134 | G | A | -2.0295 | |
135 | L | A | -0.9277 | |
136 | A | A | -1.8338 | |
137 | D | A | -3.4952 | |
138 | R | A | -3.1484 | |
139 | A | A | -2.1185 | |
140 | K | A | -3.0651 | |
141 | D | A | -2.9144 | |
142 | A | A | -0.8874 | |
143 | V | A | 0.5008 | |
144 | G | A | -0.0784 | |
145 | M | A | 0.5476 | |
146 | G | A | -0.2579 | |
147 | P | A | -0.7762 | |
148 | N | A | -1.4478 | |
149 | S | A | -0.9894 | |
150 | G | A | -0.7389 | |
151 | Y | A | -0.2414 | |
152 | N | A | -1.9093 | |
153 | H | A | -2.4045 | |
154 | Q | A | -2.1345 | |
155 | P | A | -1.9139 | |
156 | G | A | -1.1954 | |
157 | Y | A | -0.1383 | |
158 | D | A | -1.8300 | |
159 | N | A | -1.4635 | |
160 | Y | A | -0.4082 | |
161 | G | A | -1.6141 | |
162 | N | A | -2.5372 | |
163 | R | A | -2.7158 | |
164 | E | A | -2.6831 | |
165 | G | A | -1.5360 | |
166 | V | A | 0.1514 | |
167 | V | A | -0.0693 | |
168 | D | A | -2.5318 | |
169 | K | A | -2.5655 | |
170 | A | A | -1.6704 | |
171 | K | A | -2.6415 | |
172 | D | A | -2.8045 | |
173 | A | A | -1.0121 | |
174 | V | A | 0.5162 | |
175 | G | A | -0.0871 | |
176 | M | A | 0.5996 | |
177 | G | A | -0.2486 | |
178 | P | A | -0.6906 | |
179 | N | A | -1.6926 | |
180 | S | A | -1.1321 | |
181 | G | A | -0.8480 | |
182 | T | A | -1.1154 | |
183 | G | A | -1.0873 | |
184 | Y | A | -0.3155 | |
185 | N | A | -2.1009 | |
186 | N | A | -2.9260 | |
187 | Q | A | -2.2297 | |
188 | P | A | -1.8999 | |
189 | G | A | -1.3561 | |
190 | Y | A | 0.0275 | |
191 | D | A | -1.1157 | |
192 | S | A | -0.8091 | |
193 | Y | A | 0.4285 | |
194 | G | A | -0.7882 | |
195 | T | A | -1.5402 | |
196 | R | A | -3.3352 | |
197 | R | A | -3.8085 | |
198 | Q | A | -3.0371 | |
199 | E | A | -2.9095 | |
200 | G | A | -1.8028 | |
201 | L | A | -0.4073 | |
202 | V | A | -0.6045 | |
203 | D | A | -2.8696 | |
204 | R | A | -2.7565 | |
205 | A | A | -1.8785 | |
206 | K | A | -2.6473 | |
207 | D | A | -2.7392 | |
208 | A | A | -0.9176 | |
209 | V | A | 0.4118 | |
210 | G | A | -0.1864 | |
211 | M | A | 0.3849 | |
212 | G | A | -0.1972 | |
213 | P | A | -0.7638 | |
214 | N | A | -1.6952 | |
215 | S | A | -1.1394 | |
216 | G | A | -0.8677 | |
217 | T | A | -1.1155 | |
218 | G | A | -1.1569 | |
219 | Y | A | -0.3337 | |
220 | N | A | -2.1205 | |
221 | N | A | -3.0167 | |
222 | Q | A | -2.0314 | |
223 | P | A | -1.8558 | |
224 | G | A | -1.6523 | |
225 | Y | A | -0.2501 | |
226 | D | A | -1.8720 | |
227 | N | A | -1.6025 | |
228 | Y | A | -0.1536 | |
229 | G | A | -1.3351 | |
230 | N | A | -2.5460 | |
231 | P | A | -2.5594 | |
232 | R | A | -3.6380 | |
233 | R | A | -3.4358 | |
234 | E | A | -2.8037 | |
235 | G | A | -1.4555 | |
236 | V | A | 0.3401 | |
237 | V | A | 0.2390 | |
238 | D | A | -2.4087 | |
239 | R | A | -2.8154 | |
240 | A | A | -1.4291 | |
241 | K | A | -2.6596 | |
242 | D | A | -2.8255 | |
243 | A | A | -0.7748 | |
244 | V | A | 0.6488 | |
245 | G | A | -0.0576 | |
246 | M | A | 0.5878 | |
247 | G | A | -0.3368 | |
248 | P | A | -0.6106 | |
249 | N | A | -1.4157 | |
250 | S | A | -1.1878 | |
251 | G | A | -1.0324 | |
252 | Y | A | -0.8044 | |
253 | N | A | -1.8060 | |
254 | N | A | -2.7361 | |
255 | Q | A | -2.1434 | |
256 | P | A | -1.9538 | |
257 | G | A | -1.2761 | |
258 | Y | A | -0.5018 | |
259 | D | A | -2.2413 | |
260 | N | A | -1.4733 | |
261 | Y | A | -0.4025 | |
262 | G | A | -1.6337 | |
263 | N | A | -2.7088 | |
264 | R | A | -3.0595 | |
265 | E | A | -3.1717 | |
266 | G | A | -2.3489 | |
267 | I | A | -1.4913 | |
268 | V | A | -1.6728 | |
269 | D | A | -3.2725 | |
270 | K | A | -2.8500 | |
271 | A | A | -1.9706 | |
272 | K | A | -2.6604 | |
273 | D | A | -2.5272 | |
274 | A | A | -0.7774 | |
275 | V | A | 0.5983 | |
276 | G | A | 0.1627 | |
277 | V | A | 1.2003 | |
278 | G | A | 0.2470 | |
279 | P | A | -0.4083 | |
280 | H | A | -1.3215 | |
281 | S | A | -0.9875 | |
282 | G | A | -0.8708 | |
283 | T | A | -0.9223 | |
284 | G | A | -0.9442 | |
285 | Y | A | -0.5812 | |
286 | H | A | -1.6521 | |
287 | N | A | -2.2840 | |
288 | Q | A | -1.7660 | |
289 | P | A | -1.6525 | |
290 | S | A | -1.1972 | |
291 | Y | A | 0.0762 | |
292 | D | A | -1.1456 | |
293 | N | A | -1.1701 | |
294 | Y | A | 0.0360 | |
295 | G | A | -1.1757 | |
296 | N | A | -2.1305 | |
297 | P | A | -2.3261 | |
298 | R | A | -3.3617 | |
299 | Q | A | -2.7389 | |
300 | E | A | -2.7869 | |
301 | G | A | -1.6270 | |
302 | I | A | -0.4381 | |
303 | V | A | -0.5339 | |
304 | D | A | -2.8639 | |
305 | R | A | -2.8051 | |
306 | A | A | -1.5724 | |
307 | K | A | -2.5633 | |
308 | D | A | -2.7381 | |
309 | A | A | -1.0936 | |
310 | V | A | 0.2332 | |
311 | G | A | -0.3087 | |
312 | M | A | 0.3013 | |
313 | G | A | -0.1766 | |
314 | P | A | -0.6858 | |
315 | N | A | -1.3195 | |
316 | S | A | -1.0386 | |
317 | G | A | -1.2425 | |
318 | T | A | -1.2088 | |
319 | G | A | -0.9985 | |
320 | Y | A | -1.3664 | |
321 | N | A | -2.0934 | |
322 | N | A | -2.3521 | |
323 | Q | A | -1.6622 | |
324 | S | A | -1.8053 | |
325 | D | A | -2.4671 | |
326 | Y | A | -0.7259 | |
327 | D | A | -0.8417 | |
328 | S | A | -0.6749 | |
329 | Y | A | 0.2890 | |
330 | G | A | -0.8351 | |
331 | N | A | -1.9580 | |
332 | P | A | -2.2630 | |
333 | R | A | -3.3122 | |
334 | H | A | -2.6859 | |
335 | E | A | -2.7207 | |
336 | G | A | -1.8136 | |
337 | M | A | -0.9408 | |
338 | L | A | -0.5669 | |
339 | D | A | -2.7600 | |
340 | K | A | -2.4604 | |
341 | A | A | -1.9274 | |
342 | K | A | -2.8815 | |
343 | D | A | -3.1667 | |
344 | D | A | -2.2332 | |
345 | F | A | -0.5949 | |
346 | D | A | -1.6787 | |
347 | M | A | -0.6639 | |
348 | G | A | -0.7665 | |
349 | P | A | -0.8378 | |
350 | N | A | -1.3411 | |
351 | S | A | -1.2608 | |
352 | G | A | -1.4383 | |
353 | T | A | -1.6827 | |
354 | G | A | -1.8821 | |
355 | Y | A | -1.7314 | |
356 | N | A | -2.6886 | |
357 | N | A | -3.2080 | |
358 | R | A | -2.7828 | |
359 | P | A | -1.5852 | |
360 | G | A | -1.4298 | |
361 | Y | A | -0.4313 | |
362 | D | A | -2.2840 | |
363 | T | A | -0.7551 | |
364 | Y | A | 0.1082 | |
365 | G | A | -1.6439 | |
366 | D | A | -3.5873 | |
367 | R | A | -4.1939 | |
368 | K | A | -4.3815 | |
369 | H | A | -3.3965 | |
370 | E | A | -2.8910 | |
371 | G | A | -1.3831 | |
372 | I | A | -0.1028 | |
373 | G | A | -1.4565 | |
374 | D | A | -2.9005 | |
375 | K | A | -2.3092 | |
376 | V | A | -1.0188 | |
377 | R | A | -2.4135 | |
378 | D | A | -2.7491 | |
379 | A | A | -1.2873 | |
380 | I | A | 0.3857 | |
381 | G | A | -0.6223 | |
382 | T | A | -0.9626 | |
383 | G | A | -0.7200 | |
384 | P | A | -0.7768 | |
385 | N | A | -1.3125 | |
386 | S | A | -0.7297 | |
387 | G | A | -0.9114 | |
388 | Y | A | -0.3345 | |
389 | D | A | -1.9594 | |
390 | S | A | -1.6736 | |
391 | R | A | -2.3813 | |
392 | T | A | -1.4920 | |
393 | P | A | -0.9188 | |
394 | T | A | -0.8903 | |
395 | G | A | -1.0682 | |
396 | T | A | -1.0516 | |
397 | D | A | -1.3373 | |
398 | A | A | 0.1029 | |
399 | Y | A | 1.3933 | |
400 | V | A | 1.4768 | |
401 | H | A | -0.3664 | |
402 | G | A | -1.2240 | |
403 | N | A | -2.0932 | |
404 | H | A | -2.0681 | |
405 | P | A | -1.2887 | |
406 | P | A | -0.9185 | |
407 | G | A | -0.5078 | |
408 | M | A | -0.4599 | |
409 | Q | A | -2.0883 | |
410 | D | A | -2.5964 | |
411 | R | A | -1.9503 | |
412 | I | A | 0.7443 | |
413 | T | A | 0.2395 | |
414 | G | A | 0.3155 | |
415 | V | A | 0.6426 | |
416 | N | A | -1.5090 | |
417 | E | A | -2.0626 | |
418 | P | A | -1.0493 | |
419 | S | A | 0.3611 | |
420 | I | A | 2.3008 | |
421 | L | A | 2.1288 | |
422 | G | A | 0.1531 | |
423 | G | A | -1.6607 | |
424 | R | A | -3.2688 | |
425 | E | A | -3.2133 | |
426 | N | A | -2.3927 | |
427 | V | A | -0.8926 | |
428 | D | A | -2.3984 | |
429 | R | A | -2.8668 | |
430 | H | A | -1.9557 | |
431 | G | A | -0.5617 | |
432 | F | A | 0.8230 | |
433 | G | A | -0.7130 | |
434 | H | A | -1.7661 | |
435 | D | A | -3.0652 | |
436 | G | A | -2.8422 | |
437 | R | A | -3.3159 | |
438 | Q | A | -2.9559 | |
439 | H | A | -2.6386 | |
440 | H | A | -1.5938 | |
441 | G | A | -0.1686 | |
442 | L | A | 1.4459 | |
443 | L | A | 0.9334 | |
444 | D | A | -0.8751 | |
445 | N | A | -0.7063 | |
446 | V | A | 1.0230 | |
447 | T | A | 1.0675 | |
448 | L | A | 1.1541 | |
449 | Q | A | -0.6651 | |
450 | S | A | -1.0022 | |
451 | G | A | -0.9501 | |
452 | H | A | -0.3240 | |
453 | I | A | 0.8603 | |
454 | P | A | -0.3176 | |
455 | E | A | -1.2947 | |
456 | T | A | -0.0036 | |
457 | M | A | 1.3461 | |
458 | V | A | 1.7325 | |
459 | G | A | 0.0596 | |
460 | G | A | -1.3557 | |
461 | R | A | -2.5499 | |
462 | R | A | -2.3971 | |
463 | V | A | -0.5802 | |
464 | E | A | -1.6506 | |
465 | P | A | -1.0205 | |
466 | G | A | -0.6355 | |
467 | Y | A | 0.4144 | |
468 | D | A | -0.9422 | |
469 | M | A | 0.0261 | |
470 | T | A | -0.7332 | |
471 | K | A | -1.8143 | |
472 | S | A | -1.1166 | |
473 | A | A | -1.0114 | |
474 | G | A | -1.2186 | |
475 | H | A | -1.3543 | |
476 | H | A | -0.9633 | |
477 | L | A | 0.4076 | |
478 | T | A | -0.0637 | |
479 | D | A | -0.9958 | |
480 | L | A | 0.3782 | |
481 | G | A | -0.9683 | |
482 | H | A | -1.6352 | |
483 | H | A | -2.3193 | |
484 | G | A | -2.3709 | |
485 | N | A | -2.7127 | |
486 | D | A | -2.6714 | |
487 | S | A | -1.2771 | |
488 | G | A | -0.3599 | |
489 | V | A | 1.1829 | |
490 | T | A | 0.7546 | |
491 | G | A | 0.4772 | |
492 | L | A | 0.8773 | |
493 | G | A | -0.4711 | |
494 | H | A | -1.7393 | |
495 | H | A | -2.4776 | |
496 | D | A | -2.7726 | |
497 | T | A | -1.9791 | |
498 | D | A | -2.1446 | |
499 | Y | A | -1.4113 | |
500 | D | A | -2.8444 | |
501 | E | A | -3.9932 | |
502 | R | A | -4.0276 | |
503 | R | A | -3.9136 | |
504 | G | A | -3.1176 | |
505 | K | A | -2.3210 | |
506 | G | A | -1.3118 | |
507 | F | A | -0.0668 | |
508 | E | A | -1.8099 | |
509 | D | A | -2.1391 | |
510 | P | A | -1.0223 | |
511 | I | A | 0.0895 | |
512 | D | A | -2.0305 | |
513 | N | A | -2.6148 | |
514 | K | A | -2.8575 | |
515 | T | A | -1.1255 | |
516 | G | A | -0.2198 | |
517 | L | A | 1.0047 | |
518 | G | A | -0.1772 | |
519 | S | A | -0.9304 | |
520 | D | A | -1.7916 | |
521 | Y | A | -0.5241 | |
522 | D | A | -1.8706 | |
523 | T | A | -1.0652 | |
524 | T | A | -1.3385 | |
525 | E | A | -2.2548 | |
526 | T | A | -1.3722 | |
527 | G | A | -1.2499 | |
528 | S | A | -0.5951 | |
529 | G | A | -0.1523 | |
530 | Y | A | 0.8257 | |
531 | G | A | -0.1358 | |
532 | A | A | -0.4079 | |
533 | T | A | -1.0267 | |
534 | D | A | -2.0009 | |
535 | T | A | -1.2287 | |
536 | G | A | -0.8559 | |
537 | A | A | -0.2208 | |
538 | A | A | -0.5705 | |
539 | P | A | -1.2378 | |
540 | H | A | -2.4046 | |
541 | K | A | -2.9537 | |
542 | K | A | -2.5745 | |
543 | G | A | -0.3389 | |
544 | I | A | 2.1838 | |
545 | I | A | 2.5084 | |
546 | T | A | 1.0137 | |
547 | K | A | -0.7013 | |
548 | I | A | -0.2514 | |
549 | K | A | -2.3770 | |
550 | E | A | -2.8750 | |
551 | K | A | -2.4481 | |
552 | L | A | -0.4370 | |
553 | H | A | -1.4302 | |
554 | H | A | -1.3338 |