Chain sequence(s) |
A: MKKQWWKEAVVYQVYPRSFMDGDGDGTGDLQGVLSKLDYLQDLGIDVIWLSPVYESPNDDNGYDISDYQKIMSEFGTMEDFDLLLEEVHDRGMKLIMDLVINHTSDEHPWFLESKSSKQNPYRDYYIWHPGKDGKEPNNWASIFEGSIWEYDEKTKEYYMHVFSKKQPDLNWENPKVRQELYHMVNWWLDKGIDGFRIDAISHIKKAPGYPDLPEIEGRTFVPSLEGHRNQEGIQEFLDELVEETFSHYDIMTVGEANGVGVEEADEWVGEENGKFNMIFQFEHVGLWENSKDGVDIHELKDVFTKWQTALDGKGWNALFLENHDLPRTVSILGDDDSYRVESSKCLATLYFLMQGTPFIYQGQEIGMTNVQFPSIEDYDDVAIKNYYKQETERGVPHEEVMDEIWRTGRDNSRTPMQWSAGPSAGFTTGTPWMKVNPNFKEINVEREQESEDSIFHYYRKLIEMRKQKPALIYGDYTPYLEEHDEIFSYLRRYEGEKYLILTNLSEKEVSFDLSSEFEDAHLCLGNYPGVIDSSFLRPYEARVYNFR
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 (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:00) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:21:39) [INFO] Main: Simulation completed successfully. (00:21:44) |
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 | -0.7431 | |
2 | K | A | -2.3432 | |
3 | K | A | -2.4815 | |
4 | Q | A | -1.8659 | |
5 | W | A | -1.0767 | |
6 | W | A | 0.0000 | |
7 | K | A | -0.6393 | |
8 | E | A | -1.4167 | |
9 | A | A | 0.0000 | |
10 | V | A | 0.0000 | |
11 | V | A | 0.0000 | |
12 | Y | A | 0.0000 | |
13 | Q | A | 0.0000 | |
14 | V | A | 0.0000 | |
15 | Y | A | 0.0000 | |
16 | P | A | 0.0000 | |
17 | R | A | 0.0000 | |
18 | S | A | 0.1332 | |
19 | F | A | 0.0000 | |
20 | M | A | -0.6876 | |
21 | D | A | -1.9230 | |
22 | G | A | -2.1819 | |
23 | D | A | -2.9027 | |
24 | G | A | -2.1602 | |
25 | D | A | -2.5648 | |
26 | G | A | 0.0000 | |
27 | T | A | 0.0000 | |
28 | G | A | 0.0000 | |
29 | D | A | -1.7601 | |
30 | L | A | 0.0000 | |
31 | Q | A | -1.7211 | |
32 | G | A | 0.0000 | |
33 | V | A | 0.0000 | |
34 | L | A | -0.7824 | |
35 | S | A | -1.0319 | |
36 | K | A | -1.1512 | |
37 | L | A | 0.0000 | |
38 | D | A | -2.5895 | |
39 | Y | A | 0.0000 | |
40 | L | A | 0.0000 | |
41 | Q | A | -2.3736 | |
42 | D | A | -2.6494 | |
43 | L | A | 0.0000 | |
44 | G | A | -2.1113 | |
45 | I | A | 0.0000 | |
46 | D | A | -1.4374 | |
47 | V | A | 0.0000 | |
48 | I | A | 0.0000 | |
49 | W | A | 0.0000 | |
50 | L | A | 0.0000 | |
51 | S | A | 0.0000 | |
52 | P | A | 0.0000 | |
53 | V | A | 0.0000 | |
54 | Y | A | 0.0000 | |
55 | E | A | -1.7058 | |
56 | S | A | 0.0000 | |
57 | P | A | -1.4538 | |
58 | N | A | -1.4976 | |
59 | D | A | -2.5422 | |
60 | D | A | -1.3559 | |
61 | N | A | -0.9857 | |
62 | G | A | 0.0000 | |
63 | Y | A | -0.3789 | |
64 | D | A | 0.0000 | |
65 | I | A | 0.0000 | |
66 | S | A | -1.3474 | |
67 | D | A | -1.6335 | |
68 | Y | A | 0.0000 | |
69 | Q | A | -1.8480 | |
70 | K | A | -2.4625 | |
71 | I | A | 0.0000 | |
72 | M | A | 0.0000 | |
73 | S | A | -1.3075 | |
74 | E | A | -1.8548 | |
75 | F | A | 0.0000 | |
76 | G | A | -1.3938 | |
77 | T | A | -1.4496 | |
78 | M | A | -1.4718 | |
79 | E | A | -1.9188 | |
80 | D | A | -1.6014 | |
81 | F | A | 0.0000 | |
82 | D | A | -1.6320 | |
83 | L | A | -0.6825 | |
84 | L | A | 0.0000 | |
85 | L | A | -1.8579 | |
86 | E | A | -3.1947 | |
87 | E | A | -3.1282 | |
88 | V | A | 0.0000 | |
89 | H | A | -3.1830 | |
90 | D | A | -3.6819 | |
91 | R | A | -3.0449 | |
92 | G | A | -2.4081 | |
93 | M | A | 0.0000 | |
94 | K | A | -1.3262 | |
95 | L | A | 0.0000 | |
96 | I | A | 0.0000 | |
97 | M | A | 0.0000 | |
98 | D | A | 0.0000 | |
99 | L | A | 0.0000 | |
100 | V | A | 0.0000 | |
101 | I | A | 0.0000 | |
102 | N | A | 0.0000 | |
103 | H | A | 0.0000 | |
104 | T | A | 0.0000 | |
105 | S | A | 0.0000 | |
106 | D | A | -2.0230 | |
107 | E | A | -2.3562 | |
108 | H | A | 0.0000 | |
109 | P | A | -1.0284 | |
110 | W | A | -0.6806 | |
111 | F | A | 0.0000 | |
112 | L | A | -1.0415 | |
113 | E | A | -1.9079 | |
114 | S | A | 0.0000 | |
115 | K | A | -2.0359 | |
116 | S | A | -1.5684 | |
117 | S | A | -2.1824 | |
118 | K | A | -2.8090 | |
119 | Q | A | -2.3996 | |
120 | N | A | -2.1674 | |
121 | P | A | -1.5104 | |
122 | Y | A | -1.3715 | |
123 | R | A | 0.0000 | |
124 | D | A | -2.5382 | |
125 | Y | A | 0.0000 | |
126 | Y | A | 0.0000 | |
127 | I | A | 0.0000 | |
128 | W | A | -0.8170 | |
129 | H | A | -0.8227 | |
130 | P | A | -1.6136 | |
131 | G | A | -2.6621 | |
132 | K | A | -3.5846 | |
133 | D | A | -3.5553 | |
134 | G | A | -2.8355 | |
135 | K | A | -3.3242 | |
136 | E | A | -2.4250 | |
137 | P | A | -2.1425 | |
138 | N | A | 0.0000 | |
139 | N | A | -1.5790 | |
140 | W | A | 0.0000 | |
141 | A | A | 0.0000 | |
142 | S | A | 0.0000 | |
143 | I | A | 0.6194 | |
144 | F | A | 0.1098 | |
145 | E | A | -0.4621 | |
146 | G | A | -0.8584 | |
147 | S | A | -0.5829 | |
148 | I | A | 0.0000 | |
149 | W | A | 0.0000 | |
150 | E | A | -1.5663 | |
151 | Y | A | -1.7603 | |
152 | D | A | -2.3349 | |
153 | E | A | -3.4953 | |
154 | K | A | -3.5048 | |
155 | T | A | -2.9758 | |
156 | K | A | -3.2697 | |
157 | E | A | -2.2342 | |
158 | Y | A | 0.0000 | |
159 | Y | A | 0.0000 | |
160 | M | A | 0.0000 | |
161 | H | A | 0.0000 | |
162 | V | A | 0.0000 | |
163 | F | A | -0.0531 | |
164 | S | A | -1.3444 | |
165 | K | A | -2.4165 | |
166 | K | A | -2.5270 | |
167 | Q | A | 0.0000 | |
168 | P | A | 0.0000 | |
169 | D | A | 0.0000 | |
170 | L | A | 0.0000 | |
171 | N | A | 0.0000 | |
172 | W | A | 0.0000 | |
173 | E | A | -2.5035 | |
174 | N | A | -2.6121 | |
175 | P | A | -2.2579 | |
176 | K | A | -3.1274 | |
177 | V | A | 0.0000 | |
178 | R | A | -2.5313 | |
179 | Q | A | -2.9319 | |
180 | E | A | -2.7741 | |
181 | L | A | 0.0000 | |
182 | Y | A | -1.9688 | |
183 | H | A | -1.8684 | |
184 | M | A | -1.1483 | |
185 | V | A | 0.0000 | |
186 | N | A | -1.6996 | |
187 | W | A | -1.1170 | |
188 | W | A | 0.0000 | |
189 | L | A | 0.0000 | |
190 | D | A | -2.5427 | |
191 | K | A | -2.5294 | |
192 | G | A | -2.0195 | |
193 | I | A | 0.0000 | |
194 | D | A | -0.6371 | |
195 | G | A | 0.0000 | |
196 | F | A | 0.0000 | |
197 | R | A | 0.0000 | |
198 | I | A | 0.0000 | |
199 | D | A | -0.3284 | |
200 | A | A | -0.2763 | |
201 | I | A | 0.0000 | |
202 | S | A | 0.0000 | |
203 | H | A | -0.5796 | |
204 | I | A | 0.0000 | |
205 | K | A | -1.2291 | |
206 | K | A | 0.0000 | |
207 | A | A | -1.0813 | |
208 | P | A | -0.7245 | |
209 | G | A | -0.8284 | |
210 | Y | A | -0.7072 | |
211 | P | A | -1.2282 | |
212 | D | A | -2.0579 | |
213 | L | A | -1.0774 | |
214 | P | A | -0.8362 | |
215 | E | A | -1.4958 | |
216 | I | A | 0.1847 | |
217 | E | A | -1.9350 | |
218 | G | A | -1.8258 | |
219 | R | A | -2.2231 | |
220 | T | A | -1.2397 | |
221 | F | A | -0.6958 | |
222 | V | A | 0.0000 | |
223 | P | A | -0.6773 | |
224 | S | A | 0.0000 | |
225 | L | A | -1.0213 | |
226 | E | A | -2.1762 | |
227 | G | A | 0.0000 | |
228 | H | A | 0.0000 | |
229 | R | A | -1.6565 | |
230 | N | A | -1.7610 | |
231 | Q | A | -2.0521 | |
232 | E | A | -2.7126 | |
233 | G | A | -1.7304 | |
234 | I | A | 0.0000 | |
235 | Q | A | -2.3942 | |
236 | E | A | -2.7133 | |
237 | F | A | -1.7973 | |
238 | L | A | 0.0000 | |
239 | D | A | -3.2916 | |
240 | E | A | -2.9457 | |
241 | L | A | 0.0000 | |
242 | V | A | 0.0000 | |
243 | E | A | -3.2795 | |
244 | E | A | -3.3218 | |
245 | T | A | 0.0000 | |
246 | F | A | -0.9397 | |
247 | S | A | -1.5191 | |
248 | H | A | -1.8076 | |
249 | Y | A | -1.1824 | |
250 | D | A | -1.7545 | |
251 | I | A | -0.6108 | |
252 | M | A | -0.2300 | |
253 | T | A | 0.0000 | |
254 | V | A | 0.0000 | |
255 | G | A | 0.0000 | |
256 | E | A | 0.0000 | |
257 | A | A | 0.0000 | |
258 | N | A | -0.7673 | |
259 | G | A | -1.4115 | |
260 | V | A | 0.0000 | |
261 | G | A | -2.0433 | |
262 | V | A | -2.2000 | |
263 | E | A | -3.2315 | |
264 | E | A | -3.5038 | |
265 | A | A | 0.0000 | |
266 | D | A | -4.2188 | |
267 | E | A | -3.4853 | |
268 | W | A | 0.0000 | |
269 | V | A | 0.0000 | |
270 | G | A | -3.3219 | |
271 | E | A | -3.2385 | |
272 | E | A | -3.6513 | |
273 | N | A | -3.2675 | |
274 | G | A | 0.0000 | |
275 | K | A | -2.5227 | |
276 | F | A | 0.0000 | |
277 | N | A | -0.4381 | |
278 | M | A | 0.0000 | |
279 | I | A | 0.0000 | |
280 | F | A | 0.0000 | |
281 | Q | A | -0.6710 | |
282 | F | A | -0.9175 | |
283 | E | A | -1.8222 | |
284 | H | A | -1.2000 | |
285 | V | A | 0.0000 | |
286 | G | A | -0.7227 | |
287 | L | A | -0.0678 | |
288 | W | A | 0.3654 | |
289 | E | A | -1.0833 | |
290 | N | A | -2.0904 | |
291 | S | A | -1.9895 | |
292 | K | A | -2.2299 | |
293 | D | A | -2.5964 | |
294 | G | A | -1.3763 | |
295 | V | A | -1.2474 | |
296 | D | A | -2.9969 | |
297 | I | A | -2.2856 | |
298 | H | A | -3.4518 | |
299 | E | A | -3.3171 | |
300 | L | A | 0.0000 | |
301 | K | A | 0.0000 | |
302 | D | A | -2.7966 | |
303 | V | A | -1.6816 | |
304 | F | A | 0.0000 | |
305 | T | A | -1.3674 | |
306 | K | A | -2.0227 | |
307 | W | A | 0.0000 | |
308 | Q | A | 0.0000 | |
309 | T | A | -1.5837 | |
310 | A | A | -2.2585 | |
311 | L | A | 0.0000 | |
312 | D | A | -2.5373 | |
313 | G | A | -2.3313 | |
314 | K | A | -3.3188 | |
315 | G | A | 0.0000 | |
316 | W | A | -0.9007 | |
317 | N | A | 0.0000 | |
318 | A | A | 0.0000 | |
319 | L | A | 0.0000 | |
320 | F | A | 0.0000 | |
321 | L | A | 0.0000 | |
322 | E | A | 0.0000 | |
323 | N | A | 0.0000 | |
324 | H | A | 0.0000 | |
325 | D | A | -0.6437 | |
326 | L | A | 0.0000 | |
327 | P | A | 0.0000 | |
328 | R | A | 0.0000 | |
329 | T | A | 0.0000 | |
330 | V | A | 0.0000 | |
331 | S | A | -1.1404 | |
332 | I | A | -0.6447 | |
333 | L | A | 0.0000 | |
334 | G | A | 0.0000 | |
335 | D | A | -2.9281 | |
336 | D | A | -2.9290 | |
337 | D | A | -2.6299 | |
338 | S | A | -1.4100 | |
339 | Y | A | -1.5122 | |
340 | R | A | -1.5781 | |
341 | V | A | -0.6250 | |
342 | E | A | -0.9869 | |
343 | S | A | 0.0000 | |
344 | S | A | 0.0000 | |
345 | K | A | 0.0000 | |
346 | C | A | 0.0000 | |
347 | L | A | 0.0000 | |
348 | A | A | 0.0000 | |
349 | T | A | 0.0000 | |
350 | L | A | 0.0000 | |
351 | Y | A | 0.0000 | |
352 | F | A | 0.0000 | |
353 | L | A | 0.0000 | |
354 | M | A | 0.0000 | |
355 | Q | A | 0.0000 | |
356 | G | A | 0.0000 | |
357 | T | A | 0.0000 | |
358 | P | A | 0.0000 | |
359 | F | A | 0.0000 | |
360 | I | A | 0.0000 | |
361 | Y | A | 0.0000 | |
362 | Q | A | 0.0000 | |
363 | G | A | 0.0000 | |
364 | Q | A | 0.0000 | |
365 | E | A | 0.0000 | |
366 | I | A | 0.0000 | |
367 | G | A | 0.0000 | |
368 | M | A | 0.0000 | |
369 | T | A | -1.1333 | |
370 | N | A | -0.8740 | |
371 | V | A | -0.9218 | |
372 | Q | A | -1.5320 | |
373 | F | A | -0.9828 | |
374 | P | A | -1.0554 | |
375 | S | A | -1.1439 | |
376 | I | A | -1.5174 | |
377 | E | A | -2.4235 | |
378 | D | A | -1.9774 | |
379 | Y | A | 0.0000 | |
380 | D | A | -1.9919 | |
381 | D | A | -1.2610 | |
382 | V | A | -1.0573 | |
383 | A | A | -0.2726 | |
384 | I | A | -0.6640 | |
385 | K | A | -1.8360 | |
386 | N | A | -1.4422 | |
387 | Y | A | -1.3345 | |
388 | Y | A | -2.1703 | |
389 | K | A | -3.3973 | |
390 | Q | A | -3.4748 | |
391 | E | A | -3.2090 | |
392 | T | A | -3.0963 | |
393 | E | A | -3.7915 | |
394 | R | A | -3.5763 | |
395 | G | A | -2.5518 | |
396 | V | A | -2.1201 | |
397 | P | A | -2.5111 | |
398 | H | A | -3.0080 | |
399 | E | A | -3.7372 | |
400 | E | A | -3.7652 | |
401 | V | A | -2.9189 | |
402 | M | A | 0.0000 | |
403 | D | A | -3.9434 | |
404 | E | A | -3.1472 | |
405 | I | A | 0.0000 | |
406 | W | A | -2.0429 | |
407 | R | A | -3.1536 | |
408 | T | A | 0.0000 | |
409 | G | A | 0.0000 | |
410 | R | A | 0.0000 | |
411 | D | A | 0.0000 | |
412 | N | A | 0.0000 | |
413 | S | A | 0.0000 | |
414 | R | A | 0.0000 | |
415 | T | A | -0.2525 | |
416 | P | A | 0.0000 | |
417 | M | A | 0.0000 | |
418 | Q | A | 0.0000 | |
419 | W | A | -0.6059 | |
420 | S | A | -1.5579 | |
421 | A | A | -1.7382 | |
422 | G | A | -0.8570 | |
423 | P | A | -0.7352 | |
424 | S | A | -0.7828 | |
425 | A | A | 0.0000 | |
426 | G | A | -0.3972 | |
427 | F | A | 0.0000 | |
428 | T | A | 0.0000 | |
429 | T | A | -1.1446 | |
430 | G | A | -1.1833 | |
431 | T | A | -0.6429 | |
432 | P | A | -0.4200 | |
433 | W | A | 0.1605 | |
434 | M | A | -0.5653 | |
435 | K | A | -1.5039 | |
436 | V | A | -0.8152 | |
437 | N | A | -1.2911 | |
438 | P | A | -1.7686 | |
439 | N | A | -2.3963 | |
440 | F | A | -1.9590 | |
441 | K | A | -3.2466 | |
442 | E | A | -3.3007 | |
443 | I | A | 0.0000 | |
444 | N | A | 0.0000 | |
445 | V | A | 0.0000 | |
446 | E | A | -3.4645 | |
447 | R | A | -4.3710 | |
448 | E | A | -3.4889 | |
449 | Q | A | -3.5546 | |
450 | E | A | -4.0761 | |
451 | S | A | -3.4929 | |
452 | E | A | -3.7846 | |
453 | D | A | -2.9401 | |
454 | S | A | -2.3168 | |
455 | I | A | 0.0000 | |
456 | F | A | 0.0000 | |
457 | H | A | -2.2289 | |
458 | Y | A | -1.5980 | |
459 | Y | A | 0.0000 | |
460 | R | A | -1.8695 | |
461 | K | A | -2.6143 | |
462 | L | A | 0.0000 | |
463 | I | A | -1.7250 | |
464 | E | A | -2.7842 | |
465 | M | A | -1.8593 | |
466 | R | A | 0.0000 | |
467 | K | A | -3.1223 | |
468 | Q | A | -2.4843 | |
469 | K | A | -1.5976 | |
470 | P | A | -1.1089 | |
471 | A | A | 0.0000 | |
472 | L | A | 0.0000 | |
473 | I | A | 0.0000 | |
474 | Y | A | 0.7227 | |
475 | G | A | 0.0000 | |
476 | D | A | -1.3642 | |
477 | Y | A | 0.0000 | |
478 | T | A | -0.4419 | |
479 | P | A | -0.1443 | |
480 | Y | A | 0.1705 | |
481 | L | A | -0.5061 | |
482 | E | A | -2.4465 | |
483 | E | A | -2.8055 | |
484 | H | A | -2.2518 | |
485 | D | A | -3.2360 | |
486 | E | A | -2.3148 | |
487 | I | A | 0.0000 | |
488 | F | A | 0.0000 | |
489 | S | A | 0.0000 | |
490 | Y | A | 0.0000 | |
491 | L | A | 0.0000 | |
492 | R | A | 0.0000 | |
493 | R | A | -2.6159 | |
494 | Y | A | -2.0294 | |
495 | E | A | -2.9229 | |
496 | G | A | -2.5410 | |
497 | E | A | -2.9531 | |
498 | K | A | -2.8784 | |
499 | Y | A | 0.0000 | |
500 | L | A | 0.0000 | |
501 | I | A | 0.0000 | |
502 | L | A | 0.0000 | |
503 | T | A | 0.0000 | |
504 | N | A | 0.0000 | |
505 | L | A | 0.0000 | |
506 | S | A | -2.6302 | |
507 | E | A | -3.7463 | |
508 | K | A | -3.8819 | |
509 | E | A | -3.1988 | |
510 | V | A | -1.4101 | |
511 | S | A | -0.4170 | |
512 | F | A | 0.0000 | |
513 | D | A | -1.6094 | |
514 | L | A | -1.4161 | |
515 | S | A | -0.8495 | |
516 | S | A | -1.5053 | |
517 | E | A | -2.4973 | |
518 | F | A | -2.2353 | |
519 | E | A | -3.5902 | |
520 | D | A | -3.4758 | |
521 | A | A | -2.1598 | |
522 | H | A | -1.2167 | |
523 | L | A | 0.6099 | |
524 | C | A | 0.1685 | |
525 | L | A | 0.0000 | |
526 | G | A | 0.3974 | |
527 | N | A | 0.0000 | |
528 | Y | A | -0.1488 | |
529 | P | A | -0.0814 | |
530 | G | A | 0.2999 | |
531 | V | A | 0.9269 | |
532 | I | A | 0.9697 | |
533 | D | A | -1.0309 | |
534 | S | A | -0.6718 | |
535 | S | A | 0.0000 | |
536 | F | A | 0.8236 | |
537 | L | A | 0.0000 | |
538 | R | A | -2.6345 | |
539 | P | A | -2.6230 | |
540 | Y | A | 0.0000 | |
541 | E | A | 0.0000 | |
542 | A | A | 0.0000 | |
543 | R | A | 0.0000 | |
544 | V | A | 0.0000 | |
545 | Y | A | 0.0000 | |
546 | N | A | -1.5259 | |
547 | F | A | -2.5415 | |
548 | R | A | -3.4203 |