Chain sequence(s) |
A: MPAPPKPIRDLLAEDESLGAGNVIERLRELGVPDDTPTLTFDTPVGDIPAGKTLTLGELDREIQRRASWLHSQGIGPGDVVAVCSRHAPDYVLTFFAANRLGAIPAFVNPDLDEETAVAYLRHIQPKAILADAEHLRLWAPYDLGDTRLYAIEDTYADVPLKDIPPYRHRADDPVVLTHSSGTTGMPKAVISTHRSLFAGLREELKKPPPEGSERMLSVLPMHNSMLAAVLSALCNRSQFLQLSSQSGEEALKAIEEWKPTGVYGFPGTWVEILALNPTKEQLSSVQAWWNTGDSAHEAHIKELISYGKRTEKTPDGERVVDGSSFVDGFGSSEMGHSQFSIIHRPDTDHYNRCIGRPHSFAEVRVLGPDGEEVPAGEVGQLAVRSPTLFAGYWNDSARSYRSHHDGFYLTGDFGYRDEDGYYYHVDRTADAVTRRDGTTIYTTLVEEQILRNEPGLLDCTVVASDVDGEPHTEILLTLRPDYAPDPNLDWEARILSLLPPEVAATVRRVEFAGDRIPTGATGKVRKFQLRV
input PDB |
Selected Chain(s) | A |
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 A chain(s) selected (00:00:01) [INFO] runJob: Creating pdb object from: input.pdb (00:00:01) [INFO] FoldX: Starting FoldX energy minimalization (00:00:01) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:04:42) [INFO] Main: Simulation completed successfully. (00:04:46) |
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 | M | A | 0.9066 | |
2 | P | A | 0.1775 | |
3 | A | A | -0.2095 | |
4 | P | A | -0.6687 | |
5 | P | A | -1.0678 | |
6 | K | A | -1.8218 | |
7 | P | A | -1.1388 | |
8 | I | A | -0.5774 | |
9 | R | A | -1.8508 | |
10 | D | A | -2.2785 | |
11 | L | A | -1.2765 | |
12 | L | A | 0.0000 | |
13 | A | A | 0.0000 | |
14 | E | A | -2.8086 | |
15 | D | A | -2.0846 | |
16 | E | A | -2.6238 | |
17 | S | A | -2.0198 | |
18 | L | A | 0.0000 | |
19 | G | A | 0.0000 | |
20 | A | A | 0.0000 | |
21 | G | A | 0.0000 | |
22 | N | A | -0.7037 | |
23 | V | A | 0.0000 | |
24 | I | A | 0.0000 | |
25 | E | A | -1.2522 | |
26 | R | A | -1.4053 | |
27 | L | A | 0.0000 | |
28 | R | A | -2.0950 | |
29 | E | A | -2.3517 | |
30 | L | A | -0.9106 | |
31 | G | A | -1.2367 | |
32 | V | A | -1.2798 | |
33 | P | A | -1.5761 | |
34 | D | A | -2.0029 | |
35 | D | A | -2.3119 | |
36 | T | A | 0.0000 | |
37 | P | A | -1.4442 | |
38 | T | A | 0.0000 | |
39 | L | A | 0.0000 | |
40 | T | A | 0.0000 | |
41 | F | A | 0.0000 | |
42 | D | A | -1.4136 | |
43 | T | A | -1.0001 | |
44 | P | A | -1.2303 | |
45 | V | A | 0.0000 | |
46 | G | A | -1.4288 | |
47 | D | A | -1.9834 | |
48 | I | A | 0.0000 | |
49 | P | A | -1.3303 | |
50 | A | A | -1.2065 | |
51 | G | A | -1.2171 | |
52 | K | A | -1.3462 | |
53 | T | A | -0.9540 | |
54 | L | A | 0.0000 | |
55 | T | A | -1.4006 | |
56 | L | A | 0.0000 | |
57 | G | A | 0.0000 | |
58 | E | A | -1.5274 | |
59 | L | A | 0.0000 | |
60 | D | A | -1.4609 | |
61 | R | A | -1.8609 | |
62 | E | A | 0.0000 | |
63 | I | A | 0.0000 | |
64 | Q | A | -1.0770 | |
65 | R | A | -0.9281 | |
66 | R | A | 0.0000 | |
67 | A | A | 0.0000 | |
68 | S | A | 0.0000 | |
69 | W | A | 0.0000 | |
70 | L | A | 0.0000 | |
71 | H | A | -1.0264 | |
72 | S | A | -0.8133 | |
73 | Q | A | -1.0434 | |
74 | G | A | -1.0522 | |
75 | I | A | 0.0000 | |
76 | G | A | -0.7162 | |
77 | P | A | -0.4767 | |
78 | G | A | -0.8876 | |
79 | D | A | -1.0625 | |
80 | V | A | 0.0000 | |
81 | V | A | 0.0000 | |
82 | A | A | 0.0000 | |
83 | V | A | 0.0000 | |
84 | C | A | 0.0000 | |
85 | S | A | 0.0000 | |
86 | R | A | -1.5000 | |
87 | H | A | -1.0419 | |
88 | A | A | 0.0000 | |
89 | P | A | 0.0000 | |
90 | D | A | 0.0000 | |
91 | Y | A | 0.0000 | |
92 | V | A | 0.0000 | |
93 | L | A | 0.0000 | |
94 | T | A | 0.0000 | |
95 | F | A | 0.0000 | |
96 | F | A | 0.0000 | |
97 | A | A | 0.0000 | |
98 | A | A | 0.0000 | |
99 | N | A | 0.0000 | |
100 | R | A | 0.0000 | |
101 | L | A | 0.0000 | |
102 | G | A | 0.0000 | |
103 | A | A | 0.0000 | |
104 | I | A | 0.0000 | |
105 | P | A | 0.0000 | |
106 | A | A | 0.0000 | |
107 | F | A | 0.0000 | |
108 | V | A | 0.0000 | |
109 | N | A | 0.0000 | |
110 | P | A | -1.5537 | |
111 | D | A | -2.4232 | |
112 | L | A | -1.9322 | |
113 | D | A | -2.8010 | |
114 | E | A | -2.3292 | |
115 | E | A | -2.5477 | |
116 | T | A | -1.5212 | |
117 | A | A | 0.0000 | |
118 | V | A | 0.0000 | |
119 | A | A | -1.1154 | |
120 | Y | A | 0.0000 | |
121 | L | A | 0.0000 | |
122 | R | A | -2.1511 | |
123 | H | A | -1.6986 | |
124 | I | A | 0.0000 | |
125 | Q | A | -2.4775 | |
126 | P | A | 0.0000 | |
127 | K | A | -2.2598 | |
128 | A | A | 0.0000 | |
129 | I | A | 0.0000 | |
130 | L | A | 0.0000 | |
131 | A | A | 0.0000 | |
132 | D | A | 0.0000 | |
133 | A | A | -1.0422 | |
134 | E | A | -1.3379 | |
135 | H | A | 0.0000 | |
136 | L | A | -0.6308 | |
137 | R | A | -1.7488 | |
138 | L | A | -0.5660 | |
139 | W | A | 0.0000 | |
140 | A | A | -0.4886 | |
141 | P | A | -0.5626 | |
142 | Y | A | -0.4840 | |
143 | D | A | -2.0953 | |
144 | L | A | -2.1908 | |
145 | G | A | -2.5263 | |
146 | D | A | -3.0194 | |
147 | T | A | -2.7802 | |
148 | R | A | -2.3837 | |
149 | L | A | -0.6618 | |
150 | Y | A | -0.6110 | |
151 | A | A | -0.8742 | |
152 | I | A | 0.0000 | |
153 | E | A | -2.3963 | |
154 | D | A | -2.3516 | |
155 | T | A | 0.0000 | |
156 | Y | A | -1.4760 | |
157 | A | A | -1.5936 | |
158 | D | A | -1.7061 | |
159 | V | A | -0.6679 | |
160 | P | A | -0.3128 | |
161 | L | A | 0.0932 | |
162 | K | A | -0.8400 | |
163 | D | A | -1.6986 | |
164 | I | A | -0.7076 | |
165 | P | A | -0.7746 | |
166 | P | A | -0.6651 | |
167 | Y | A | -0.4849 | |
168 | R | A | -2.0463 | |
169 | H | A | -2.1526 | |
170 | R | A | -3.1138 | |
171 | A | A | -2.8899 | |
172 | D | A | -2.9503 | |
173 | D | A | -2.0277 | |
174 | P | A | -1.0636 | |
175 | V | A | 0.0000 | |
176 | V | A | 0.0000 | |
177 | L | A | 0.0000 | |
178 | T | A | 0.0000 | |
179 | H | A | 0.0000 | |
180 | S | A | -0.1461 | |
181 | S | A | -0.2594 | |
182 | G | A | 0.0000 | |
183 | T | A | -0.1164 | |
184 | T | A | -0.0479 | |
185 | G | A | 0.0518 | |
186 | M | A | 0.4583 | |
187 | P | A | 0.0000 | |
188 | K | A | -0.6224 | |
189 | A | A | 0.0000 | |
190 | V | A | 0.0000 | |
191 | I | A | 0.2037 | |
192 | S | A | 0.0000 | |
193 | T | A | 0.0000 | |
194 | H | A | 0.0000 | |
195 | R | A | -2.7035 | |
196 | S | A | 0.0000 | |
197 | L | A | 0.0000 | |
198 | F | A | 0.0000 | |
199 | A | A | -0.7954 | |
200 | G | A | 0.0000 | |
201 | L | A | 0.0000 | |
202 | R | A | -2.0718 | |
203 | E | A | -1.6812 | |
204 | E | A | -1.9995 | |
205 | L | A | 0.0000 | |
206 | K | A | -3.3669 | |
207 | K | A | -3.0142 | |
208 | P | A | -1.6910 | |
209 | P | A | -1.5839 | |
210 | P | A | -1.1064 | |
211 | E | A | -1.0114 | |
212 | G | A | 0.0000 | |
213 | S | A | -1.6640 | |
214 | E | A | -2.7866 | |
215 | R | A | -2.2589 | |
216 | M | A | 0.0000 | |
217 | L | A | 0.0000 | |
218 | S | A | 0.0000 | |
219 | V | A | 0.0000 | |
220 | L | A | 0.0000 | |
221 | P | A | 0.0000 | |
222 | M | A | 0.0000 | |
223 | H | A | 0.0000 | |
224 | N | A | 0.0000 | |
225 | S | A | -0.1364 | |
226 | M | A | 0.0000 | |
227 | L | A | 0.0000 | |
228 | A | A | -0.0755 | |
229 | A | A | 0.0000 | |
230 | V | A | 0.0000 | |
231 | L | A | 0.0000 | |
232 | S | A | -0.4433 | |
233 | A | A | 0.0000 | |
234 | L | A | 0.0000 | |
235 | C | A | 0.0000 | |
236 | N | A | -1.4601 | |
237 | R | A | -2.1750 | |
238 | S | A | -2.2171 | |
239 | Q | A | -2.2810 | |
240 | F | A | 0.0000 | |
241 | L | A | 0.0000 | |
242 | Q | A | 0.0000 | |
243 | L | A | 0.0000 | |
244 | S | A | -0.9141 | |
245 | S | A | -1.2280 | |
246 | Q | A | -1.0128 | |
247 | S | A | -1.6626 | |
248 | G | A | 0.0000 | |
249 | E | A | -2.6940 | |
250 | E | A | -3.2947 | |
251 | A | A | 0.0000 | |
252 | L | A | 0.0000 | |
253 | K | A | -3.7348 | |
254 | A | A | -2.8648 | |
255 | I | A | 0.0000 | |
256 | E | A | -3.6030 | |
257 | E | A | -3.2391 | |
258 | W | A | -2.1972 | |
259 | K | A | -2.8041 | |
260 | P | A | 0.0000 | |
261 | T | A | -1.3752 | |
262 | G | A | 0.0000 | |
263 | V | A | 0.0000 | |
264 | Y | A | 0.3065 | |
265 | G | A | 0.0000 | |
266 | F | A | 0.0000 | |
267 | P | A | 0.0000 | |
268 | G | A | -0.7332 | |
269 | T | A | 0.0000 | |
270 | W | A | 0.0000 | |
271 | V | A | -0.3419 | |
272 | E | A | -1.2542 | |
273 | I | A | 0.0000 | |
274 | L | A | 0.0000 | |
275 | A | A | -0.8639 | |
276 | L | A | -0.5038 | |
277 | N | A | -1.5463 | |
278 | P | A | 0.0000 | |
279 | T | A | -1.7619 | |
280 | K | A | -3.0679 | |
281 | E | A | -3.0004 | |
282 | Q | A | -2.8467 | |
283 | L | A | 0.0000 | |
284 | S | A | -2.2507 | |
285 | S | A | -1.5694 | |
286 | V | A | 0.0000 | |
287 | Q | A | -0.6218 | |
288 | A | A | 0.0000 | |
289 | W | A | 0.0000 | |
290 | W | A | 0.4626 | |
291 | N | A | 0.0000 | |
292 | T | A | -0.1847 | |
293 | G | A | -0.4852 | |
294 | D | A | -0.6929 | |
295 | S | A | -0.3378 | |
296 | A | A | 0.0000 | |
297 | H | A | 0.0000 | |
298 | E | A | -1.2026 | |
299 | A | A | -0.9221 | |
300 | H | A | 0.0000 | |
301 | I | A | 0.0000 | |
302 | K | A | -1.4130 | |
303 | E | A | -0.8143 | |
304 | L | A | 0.0000 | |
305 | I | A | 0.0000 | |
306 | S | A | -1.1899 | |
307 | Y | A | 0.0000 | |
308 | G | A | -1.6412 | |
309 | K | A | -1.1166 | |
310 | R | A | 0.0000 | |
311 | T | A | -1.3657 | |
312 | E | A | -2.2436 | |
313 | K | A | -3.3040 | |
314 | T | A | -2.6862 | |
315 | P | A | -1.8589 | |
316 | D | A | -2.9568 | |
317 | G | A | -3.0842 | |
318 | E | A | -3.6780 | |
319 | R | A | -2.6735 | |
320 | V | A | -0.3068 | |
321 | V | A | -0.7507 | |
322 | D | A | -1.8778 | |
323 | G | A | 0.0000 | |
324 | S | A | 0.0000 | |
325 | S | A | 0.0000 | |
326 | F | A | 0.0000 | |
327 | V | A | 0.9140 | |
328 | D | A | 0.3758 | |
329 | G | A | 0.0000 | |
330 | F | A | -0.1660 | |
331 | G | A | -0.2660 | |
332 | S | A | -0.2663 | |
333 | S | A | -0.1980 | |
334 | E | A | 0.0000 | |
335 | M | A | 0.0000 | |
336 | G | A | -0.2049 | |
337 | H | A | -0.3733 | |
338 | S | A | -0.2572 | |
339 | Q | A | 0.0000 | |
340 | F | A | 0.0000 | |
341 | S | A | -0.0170 | |
342 | I | A | 0.0000 | |
343 | I | A | 1.7158 | |
344 | H | A | 0.0000 | |
345 | R | A | -1.0129 | |
346 | P | A | -1.9112 | |
347 | D | A | -2.3902 | |
348 | T | A | -1.8308 | |
349 | D | A | -2.7252 | |
350 | H | A | -1.5205 | |
351 | Y | A | 0.0000 | |
352 | N | A | -1.5903 | |
353 | R | A | 0.0000 | |
354 | C | A | 0.0000 | |
355 | I | A | 0.0000 | |
356 | G | A | 0.0000 | |
357 | R | A | -1.5393 | |
358 | P | A | -1.1004 | |
359 | H | A | -0.8881 | |
360 | S | A | -0.7181 | |
361 | F | A | -0.6943 | |
362 | A | A | -1.5901 | |
363 | E | A | -2.5366 | |
364 | V | A | 0.0000 | |
365 | R | A | -1.5514 | |
366 | V | A | 0.0000 | |
367 | L | A | 0.0000 | |
368 | G | A | -2.0768 | |
369 | P | A | -1.7534 | |
370 | D | A | -2.7538 | |
371 | G | A | -2.6751 | |
372 | E | A | -3.5219 | |
373 | E | A | -3.1875 | |
374 | V | A | -1.9731 | |
375 | P | A | -1.5494 | |
376 | A | A | -1.8383 | |
377 | G | A | -1.6249 | |
378 | E | A | -1.8063 | |
379 | V | A | -0.4647 | |
380 | G | A | 0.0000 | |
381 | Q | A | -0.4791 | |
382 | L | A | 0.0000 | |
383 | A | A | 0.0000 | |
384 | V | A | 0.0000 | |
385 | R | A | -2.6652 | |
386 | S | A | -1.4084 | |
387 | P | A | -0.9791 | |
388 | T | A | 0.0000 | |
389 | L | A | -0.4578 | |
390 | F | A | 0.0000 | |
391 | A | A | -0.1423 | |
392 | G | A | 0.0000 | |
393 | Y | A | 0.0000 | |
394 | W | A | -0.8708 | |
395 | N | A | -1.7925 | |
396 | D | A | -1.2410 | |
397 | S | A | -0.9055 | |
398 | A | A | -0.9175 | |
399 | R | A | -1.7433 | |
400 | S | A | -0.8289 | |
401 | Y | A | -0.2243 | |
402 | R | A | -1.7977 | |
403 | S | A | -1.0306 | |
404 | H | A | -1.5073 | |
405 | H | A | -1.5485 | |
406 | D | A | -2.4712 | |
407 | G | A | -1.4490 | |
408 | F | A | -1.6119 | |
409 | Y | A | 0.0000 | |
410 | L | A | -0.6861 | |
411 | T | A | -0.0675 | |
412 | G | A | -0.2221 | |
413 | D | A | 0.0000 | |
414 | F | A | 0.2270 | |
415 | G | A | 0.0000 | |
416 | Y | A | -0.4751 | |
417 | R | A | -1.6868 | |
418 | D | A | -2.3540 | |
419 | E | A | -3.0812 | |
420 | D | A | -3.0027 | |
421 | G | A | -1.9917 | |
422 | Y | A | -1.3826 | |
423 | Y | A | 0.0000 | |
424 | Y | A | 0.0000 | |
425 | H | A | 0.0000 | |
426 | V | A | 0.0000 | |
427 | D | A | 0.0000 | |
428 | R | A | -0.2619 | |
429 | T | A | -0.1601 | |
430 | A | A | 0.0248 | |
431 | D | A | 0.0000 | |
432 | A | A | -0.1241 | |
433 | V | A | 0.0000 | |
434 | T | A | -1.5420 | |
435 | R | A | -2.7713 | |
436 | R | A | -3.4797 | |
437 | D | A | -3.1438 | |
438 | G | A | -2.0700 | |
439 | T | A | -1.4685 | |
440 | T | A | -0.7852 | |
441 | I | A | 0.0000 | |
442 | Y | A | 0.3108 | |
443 | T | A | 0.0000 | |
444 | T | A | 0.0000 | |
445 | L | A | 0.1625 | |
446 | V | A | 0.0000 | |
447 | E | A | 0.0000 | |
448 | E | A | 0.0000 | |
449 | Q | A | -0.7490 | |
450 | I | A | 0.0000 | |
451 | L | A | 0.0000 | |
452 | R | A | -1.4565 | |
453 | N | A | -1.2451 | |
454 | E | A | 0.0000 | |
455 | P | A | -0.6380 | |
456 | G | A | 0.0000 | |
457 | L | A | 0.0000 | |
458 | L | A | 0.0000 | |
459 | D | A | -0.5936 | |
460 | C | A | 0.0000 | |
461 | T | A | 0.0000 | |
462 | V | A | 0.0000 | |
463 | V | A | 0.0000 | |
464 | A | A | 0.0000 | |
465 | S | A | 0.0000 | |
466 | D | A | -2.2643 | |
467 | V | A | -1.4139 | |
468 | D | A | -2.5629 | |
469 | G | A | -2.4045 | |
470 | E | A | -2.7307 | |
471 | P | A | 0.0000 | |
472 | H | A | -1.3945 | |
473 | T | A | 0.0000 | |
474 | E | A | -1.5718 | |
475 | I | A | 0.0000 | |
476 | L | A | 0.0000 | |
477 | L | A | 0.0000 | |
478 | T | A | -0.2950 | |
479 | L | A | -0.1439 | |
480 | R | A | -0.9461 | |
481 | P | A | -1.1268 | |
482 | D | A | -1.8703 | |
483 | Y | A | -0.7856 | |
484 | A | A | -0.7063 | |
485 | P | A | -1.1319 | |
486 | D | A | -2.3545 | |
487 | P | A | -1.8312 | |
488 | N | A | -2.2020 | |
489 | L | A | -1.9605 | |
490 | D | A | -2.7517 | |
491 | W | A | 0.0000 | |
492 | E | A | -2.6696 | |
493 | A | A | -1.3083 | |
494 | R | A | -1.3764 | |
495 | I | A | 0.0000 | |
496 | L | A | -0.0685 | |
497 | S | A | -0.3146 | |
498 | L | A | -0.2174 | |
499 | L | A | 0.0000 | |
500 | P | A | -0.4938 | |
501 | P | A | -0.7575 | |
502 | E | A | -1.3113 | |
503 | V | A | 0.0000 | |
504 | A | A | -0.2987 | |
505 | A | A | -0.4148 | |
506 | T | A | 0.0000 | |
507 | V | A | -1.1559 | |
508 | R | A | -2.0197 | |
509 | R | A | -3.0696 | |
510 | V | A | 0.0000 | |
511 | E | A | -1.8132 | |
512 | F | A | -0.1843 | |
513 | A | A | 0.0000 | |
514 | G | A | -1.5246 | |
515 | D | A | -2.4248 | |
516 | R | A | -1.9979 | |
517 | I | A | -0.9261 | |
518 | P | A | -0.6815 | |
519 | T | A | -0.4564 | |
520 | G | A | -0.7801 | |
521 | A | A | 0.0000 | |
522 | T | A | 0.0000 | |
523 | G | A | -0.9347 | |
524 | K | A | -0.4929 | |
525 | V | A | 0.0045 | |
526 | R | A | -0.2891 | |
527 | K | A | 0.0000 | |
528 | F | A | 0.2498 | |
529 | Q | A | -0.6191 | |
530 | L | A | -0.1191 | |
531 | R | A | -0.0864 | |
532 | V | A | 1.1665 |