Chain sequence(s) |
A: TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGYNGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHEPEVKTVVHLHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLASYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDITD
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | DA190A,LA386A,TA260A,GF321A,TF262A |
Energy difference between WT (input) and mutated protein (by FoldX) | 6.02856 kcal/mol
CAUTION: Your mutation/s can destabilize the protein structure |
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 (00:00:01) [INFO] FoldX: Building mutant model (00:05:22) [INFO] FoldX: Starting FoldX energy minimalization (00:05:38) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:08:00) [INFO] Main: Simulation completed successfully. (00:08:04) |
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 | |
2 | T | A | -0.9694 | |
3 | L | A | -1.4823 | |
4 | E | A | -2.5629 | |
5 | K | A | -1.6120 | |
6 | F | A | 0.0000 | |
7 | V | A | -0.6561 | |
8 | D | A | -0.7983 | |
9 | A | A | -0.1330 | |
10 | L | A | 0.0000 | |
11 | P | A | 0.3620 | |
12 | I | A | 0.7476 | |
13 | P | A | -0.1195 | |
14 | D | A | -1.5708 | |
15 | T | A | -1.2701 | |
16 | L | A | -1.2315 | |
17 | K | A | -1.9470 | |
18 | P | A | -0.7711 | |
19 | V | A | 0.3241 | |
20 | Q | A | -1.4532 | |
21 | Q | A | -2.7274 | |
22 | S | A | -2.8445 | |
23 | K | A | -3.3414 | |
24 | E | A | -3.6122 | |
25 | K | A | -3.2434 | |
26 | T | A | 0.0000 | |
27 | Y | A | -0.7868 | |
28 | Y | A | 0.0000 | |
29 | E | A | -0.6317 | |
30 | V | A | 0.0000 | |
31 | T | A | -0.9378 | |
32 | M | A | 0.0000 | |
33 | E | A | -1.3302 | |
34 | E | A | -1.3784 | |
35 | C | A | -0.9794 | |
36 | T | A | -1.2823 | |
37 | H | A | -1.2002 | |
38 | Q | A | -1.9897 | |
39 | L | A | 0.0000 | |
40 | H | A | 0.0000 | |
41 | R | A | -2.8381 | |
42 | D | A | -3.0873 | |
43 | L | A | 0.0000 | |
44 | P | A | -2.0715 | |
45 | P | A | -1.8850 | |
46 | T | A | 0.0000 | |
47 | R | A | -1.9811 | |
48 | L | A | 0.0000 | |
49 | W | A | 0.0000 | |
50 | G | A | 0.0000 | |
51 | Y | A | 0.0000 | |
52 | N | A | -0.6941 | |
53 | G | A | -0.5114 | |
54 | L | A | 0.0277 | |
55 | F | A | 0.0000 | |
56 | P | A | 0.0000 | |
57 | G | A | 0.0000 | |
58 | P | A | 0.0000 | |
59 | T | A | 0.0000 | |
60 | I | A | 0.0000 | |
61 | E | A | -1.3354 | |
62 | V | A | 0.0000 | |
63 | K | A | -2.9560 | |
64 | R | A | -3.4905 | |
65 | N | A | -3.1262 | |
66 | E | A | -2.9742 | |
67 | N | A | -2.6370 | |
68 | V | A | 0.0000 | |
69 | Y | A | -0.3789 | |
70 | V | A | 0.0000 | |
71 | K | A | -0.7854 | |
72 | W | A | 0.0000 | |
73 | M | A | -1.0639 | |
74 | N | A | 0.0000 | |
75 | N | A | -1.9218 | |
76 | L | A | 0.0000 | |
77 | P | A | -0.7974 | |
78 | S | A | -0.7524 | |
79 | T | A | -0.3800 | |
80 | H | A | 0.0000 | |
81 | F | A | 0.3276 | |
82 | L | A | 0.0000 | |
83 | P | A | 0.0428 | |
84 | I | A | -0.1678 | |
85 | D | A | 0.0000 | |
86 | H | A | -1.4332 | |
87 | T | A | -0.8793 | |
88 | I | A | 0.0000 | |
89 | H | A | -1.3353 | |
97 | E | A | -2.3591 | |
98 | P | A | -2.1034 | |
99 | E | A | -1.7541 | |
100 | V | A | 0.0000 | |
101 | K | A | -1.0603 | |
102 | T | A | 0.0000 | |
103 | V | A | 0.0000 | |
104 | V | A | 0.0000 | |
105 | H | A | 0.0000 | |
106 | L | A | 0.0000 | |
107 | H | A | 0.0000 | |
108 | G | A | -0.0663 | |
109 | G | A | 0.0000 | |
110 | V | A | -0.2668 | |
111 | T | A | 0.0000 | |
112 | P | A | -0.3486 | |
113 | D | A | -0.8148 | |
114 | D | A | -1.1845 | |
115 | S | A | 0.0000 | |
116 | D | A | 0.0000 | |
117 | G | A | 0.0000 | |
118 | Y | A | 0.0000 | |
119 | P | A | 0.0000 | |
120 | E | A | -0.2939 | |
121 | A | A | 0.0000 | |
122 | W | A | 0.0000 | |
123 | F | A | 0.0000 | |
124 | S | A | 0.0000 | |
125 | K | A | -2.4465 | |
126 | D | A | -3.0382 | |
127 | F | A | -2.3744 | |
128 | E | A | -3.0107 | |
129 | Q | A | -2.7439 | |
130 | T | A | -1.7538 | |
131 | G | A | 0.0000 | |
132 | P | A | -0.4838 | |
133 | Y | A | -0.3700 | |
134 | F | A | -1.1100 | |
135 | K | A | -2.1772 | |
136 | R | A | -1.9830 | |
137 | E | A | -2.0467 | |
138 | V | A | -0.9130 | |
139 | Y | A | 0.0000 | |
140 | H | A | -0.4395 | |
141 | Y | A | 0.0000 | |
142 | P | A | -1.4806 | |
143 | N | A | 0.0000 | |
144 | Q | A | -2.5052 | |
145 | Q | A | -1.8085 | |
146 | R | A | -1.6582 | |
147 | G | A | 0.0000 | |
148 | A | A | 0.0000 | |
149 | I | A | 0.0000 | |
150 | L | A | 0.0000 | |
151 | W | A | 0.0000 | |
152 | Y | A | 0.0000 | |
153 | H | A | 0.0000 | |
154 | D | A | 0.0000 | |
155 | H | A | 0.0000 | |
156 | A | A | 0.0000 | |
157 | M | A | 0.0000 | |
158 | A | A | -0.3782 | |
159 | L | A | 0.0000 | |
160 | T | A | 0.0000 | |
161 | R | A | 0.0000 | |
162 | L | A | 0.0000 | |
163 | N | A | 0.0000 | |
164 | V | A | 0.0000 | |
165 | Y | A | 0.0000 | |
166 | A | A | 0.0000 | |
167 | G | A | 0.0000 | |
168 | L | A | 0.0000 | |
169 | V | A | 0.0000 | |
170 | G | A | 0.0000 | |
171 | A | A | 0.0000 | |
172 | Y | A | 0.0000 | |
173 | I | A | 0.0000 | |
174 | I | A | 0.0000 | |
175 | H | A | -2.2209 | |
176 | D | A | -2.4762 | |
177 | P | A | -2.5056 | |
178 | K | A | -3.0390 | |
179 | E | A | -2.8736 | |
180 | K | A | -3.7014 | |
181 | R | A | -3.6063 | |
182 | L | A | -2.5610 | |
183 | K | A | -3.2398 | |
184 | L | A | 0.0000 | |
185 | P | A | 0.0000 | |
186 | S | A | -2.1000 | |
187 | D | A | -2.7375 | |
188 | E | A | -2.5643 | |
189 | Y | A | 0.0000 | |
190 | A | A | -1.1743 | mutated: DA190A |
191 | V | A | 0.0000 | |
192 | P | A | 0.0000 | |
193 | L | A | 0.0000 | |
194 | L | A | 0.0000 | |
195 | I | A | 0.0000 | |
196 | T | A | 0.0000 | |
197 | D | A | 0.0000 | |
198 | R | A | 0.0000 | |
199 | T | A | -0.5092 | |
200 | I | A | -0.7417 | |
201 | N | A | -1.6954 | |
202 | E | A | -3.0490 | |
203 | D | A | -2.9281 | |
204 | G | A | 0.0000 | |
205 | S | A | -1.3618 | |
206 | L | A | 0.0000 | |
207 | F | A | 0.4540 | |
208 | Y | A | 0.0000 | |
209 | P | A | -0.1347 | |
210 | S | A | -0.5310 | |
211 | A | A | -1.0848 | |
212 | P | A | -1.3932 | |
213 | E | A | -2.5845 | |
214 | N | A | -2.3579 | |
215 | P | A | -1.7682 | |
216 | S | A | -0.9811 | |
217 | P | A | -0.6884 | |
218 | S | A | -0.6906 | |
219 | L | A | -0.6109 | |
220 | P | A | -0.8020 | |
221 | N | A | -1.4758 | |
222 | P | A | -0.9735 | |
223 | S | A | 0.0000 | |
224 | I | A | 0.0000 | |
225 | V | A | 0.0000 | |
226 | P | A | -0.1599 | |
227 | A | A | -0.0388 | |
228 | F | A | 0.0000 | |
229 | C | A | 0.0074 | |
230 | G | A | 0.0000 | |
231 | E | A | -1.6782 | |
232 | T | A | 0.0000 | |
233 | I | A | 0.0000 | |
234 | L | A | 0.0000 | |
235 | V | A | 0.0000 | |
236 | N | A | 0.0000 | |
237 | G | A | 0.0000 | |
238 | K | A | -0.6204 | |
239 | V | A | 0.0000 | |
240 | W | A | 0.0000 | |
241 | P | A | 0.0000 | |
242 | Y | A | -0.2081 | |
243 | L | A | -0.5066 | |
244 | E | A | -1.7857 | |
245 | V | A | 0.0000 | |
246 | E | A | 0.0000 | |
247 | P | A | -1.0222 | |
248 | R | A | 0.0000 | |
249 | K | A | 0.0000 | |
250 | Y | A | 0.0000 | |
251 | R | A | 0.0000 | |
252 | F | A | 0.0000 | |
253 | R | A | 0.0000 | |
254 | V | A | 0.0000 | |
255 | I | A | 0.0000 | |
256 | N | A | 0.0000 | |
257 | A | A | 0.0000 | |
258 | S | A | 0.0000 | |
259 | N | A | 0.0000 | |
260 | A | A | 0.0000 | mutated: TA260A |
261 | R | A | 0.0000 | |
262 | F | A | 0.6528 | mutated: TF262A |
263 | Y | A | 0.0000 | |
264 | N | A | -0.1663 | |
265 | L | A | 0.0000 | |
266 | S | A | -1.1863 | |
267 | L | A | 0.0000 | |
268 | D | A | -2.1072 | |
269 | N | A | -1.7880 | |
270 | G | A | -1.7307 | |
271 | G | A | 0.0000 | |
272 | D | A | -1.8395 | |
273 | F | A | 0.0000 | |
274 | I | A | 0.0000 | |
275 | Q | A | 0.0000 | |
276 | I | A | 0.0000 | |
277 | G | A | 0.0000 | |
278 | S | A | 0.0000 | |
279 | D | A | 0.0000 | |
280 | G | A | -0.2858 | |
281 | G | A | 0.0000 | |
282 | L | A | 0.0000 | |
283 | L | A | 0.0000 | |
284 | P | A | 0.0000 | |
285 | R | A | -1.6610 | |
286 | S | A | 0.0000 | |
287 | V | A | -1.3188 | |
288 | K | A | -2.2914 | |
289 | L | A | -1.4945 | |
290 | N | A | -1.9793 | |
291 | S | A | -1.2074 | |
292 | F | A | 0.0000 | |
293 | S | A | -0.2231 | |
294 | L | A | 0.0000 | |
295 | A | A | 0.0000 | |
296 | P | A | 0.0000 | |
297 | A | A | 0.0000 | |
298 | E | A | 0.0000 | |
299 | R | A | 0.0000 | |
300 | Y | A | 0.0000 | |
301 | D | A | 0.0000 | |
302 | I | A | 0.0000 | |
303 | I | A | 0.0000 | |
304 | I | A | 0.0000 | |
305 | D | A | -0.6299 | |
306 | F | A | 0.0000 | |
307 | T | A | -0.5790 | |
308 | A | A | -0.5912 | |
309 | Y | A | -1.2638 | |
310 | E | A | -2.5069 | |
311 | G | A | -2.3055 | |
312 | E | A | -2.2602 | |
313 | S | A | -1.6561 | |
314 | I | A | 0.0000 | |
315 | I | A | -0.6107 | |
316 | L | A | 0.0000 | |
317 | A | A | -0.5054 | |
318 | N | A | 0.0000 | |
319 | S | A | -0.1519 | |
320 | A | A | 0.4530 | |
321 | F | A | 1.0652 | mutated: GF321A |
322 | C | A | 0.3298 | |
323 | G | A | -0.3073 | |
324 | G | A | -0.6686 | |
325 | D | A | -1.2947 | |
326 | V | A | -0.6501 | |
327 | N | A | -1.5672 | |
328 | P | A | -1.5995 | |
329 | E | A | -2.3586 | |
330 | T | A | -1.7449 | |
331 | D | A | 0.0000 | |
332 | A | A | -0.6006 | |
333 | N | A | 0.0000 | |
334 | I | A | 0.0000 | |
335 | M | A | 0.0000 | |
336 | Q | A | -0.5375 | |
337 | F | A | 0.0000 | |
338 | R | A | -1.8604 | |
339 | V | A | 0.0000 | |
340 | T | A | -1.6382 | |
341 | K | A | -1.2152 | |
342 | P | A | -0.4246 | |
343 | L | A | 0.2374 | |
344 | A | A | -0.4142 | |
345 | Q | A | -1.9454 | |
346 | K | A | -2.7636 | |
347 | D | A | -2.5327 | |
348 | E | A | -3.2672 | |
349 | S | A | -2.5008 | |
350 | R | A | -2.7971 | |
351 | K | A | -2.0198 | |
352 | P | A | -1.4683 | |
353 | K | A | -1.6239 | |
354 | Y | A | 0.0408 | |
355 | L | A | 0.0000 | |
356 | A | A | -0.1224 | |
357 | S | A | 0.2210 | |
358 | Y | A | 0.2781 | |
359 | P | A | 0.0000 | |
360 | S | A | 0.0788 | |
361 | V | A | 1.1078 | |
362 | Q | A | -0.7150 | |
363 | H | A | -1.5058 | |
364 | E | A | -1.7931 | |
365 | R | A | -2.2087 | |
366 | I | A | -0.3031 | |
367 | Q | A | -1.0644 | |
368 | N | A | -0.1358 | |
369 | I | A | 1.6259 | |
370 | R | A | 0.5144 | |
371 | T | A | 0.0717 | |
372 | L | A | 0.0000 | |
373 | K | A | -0.9393 | |
374 | L | A | 0.0000 | |
375 | A | A | -0.9570 | |
376 | G | A | -1.4270 | |
377 | T | A | -1.1904 | |
378 | Q | A | -1.9905 | |
379 | D | A | -1.9033 | |
380 | E | A | -2.2194 | |
381 | Y | A | -1.1546 | |
382 | G | A | -1.3207 | |
383 | R | A | 0.0000 | |
384 | P | A | -1.1595 | |
385 | V | A | 0.0000 | |
386 | A | A | -1.0098 | mutated: LA386A |
387 | L | A | 0.0000 | |
388 | L | A | 0.0000 | |
389 | N | A | -1.7069 | |
390 | N | A | -2.4025 | |
391 | K | A | -2.5148 | |
392 | R | A | -2.9847 | |
393 | W | A | 0.0000 | |
394 | H | A | -2.0244 | |
395 | D | A | -1.8323 | |
396 | P | A | -0.8312 | |
397 | V | A | -0.3118 | |
398 | T | A | -0.1068 | |
399 | E | A | 0.0000 | |
400 | T | A | -0.4440 | |
401 | P | A | 0.0000 | |
402 | K | A | -2.1494 | |
403 | V | A | -1.2272 | |
404 | G | A | -1.1044 | |
405 | T | A | 0.0000 | |
406 | T | A | 0.0000 | |
407 | E | A | 0.0000 | |
408 | I | A | 0.7286 | |
409 | W | A | 0.0000 | |
410 | S | A | -0.0082 | |
411 | I | A | 0.0000 | |
412 | I | A | 0.0000 | |
413 | N | A | 0.0000 | |
414 | P | A | -0.9533 | |
415 | T | A | -1.2012 | |
416 | R | A | -1.9563 | |
417 | G | A | -1.2247 | |
418 | T | A | -0.7081 | |
419 | H | A | 0.0000 | |
420 | P | A | 0.0000 | |
421 | I | A | 0.0000 | |
422 | H | A | 0.0000 | |
423 | L | A | 0.0000 | |
424 | H | A | 0.0000 | |
425 | L | A | 0.0000 | |
426 | V | A | 0.0000 | |
427 | S | A | -0.2333 | |
428 | F | A | 0.0000 | |
429 | R | A | -0.5406 | |
430 | V | A | 0.0000 | |
431 | L | A | 0.0255 | |
432 | D | A | -0.1026 | |
433 | R | A | -0.3505 | |
434 | R | A | -0.6159 | |
435 | P | A | -0.2974 | |
436 | F | A | 0.0000 | |
437 | D | A | -0.8384 | |
438 | I | A | -1.0504 | |
439 | A | A | -1.8046 | |
440 | R | A | -3.1927 | |
441 | Y | A | 0.0000 | |
442 | Q | A | -2.9589 | |
443 | E | A | -3.4479 | |
444 | S | A | -2.7040 | |
445 | G | A | -2.4654 | |
446 | E | A | -2.6847 | |
447 | L | A | -0.8247 | |
448 | S | A | -0.4754 | |
449 | Y | A | 0.0698 | |
450 | T | A | -0.0762 | |
451 | G | A | -0.0987 | |
452 | P | A | -0.0358 | |
453 | A | A | 0.2882 | |
454 | V | A | 1.2957 | |
455 | P | A | 0.1777 | |
456 | P | A | -0.2059 | |
457 | P | A | -0.3752 | |
458 | P | A | -1.0730 | |
459 | S | A | 0.0000 | |
460 | E | A | -0.8813 | |
461 | K | A | -1.3186 | |
462 | G | A | 0.0000 | |
463 | W | A | 0.0000 | |
464 | K | A | 0.0000 | |
465 | D | A | 0.0000 | |
466 | T | A | 0.0000 | |
467 | I | A | 0.0000 | |
468 | Q | A | -0.2515 | |
469 | A | A | 0.0000 | |
470 | H | A | -1.0153 | |
471 | A | A | -0.9489 | |
472 | G | A | -0.6856 | |
473 | E | A | -0.7724 | |
474 | V | A | 0.0000 | |
475 | L | A | 0.0000 | |
476 | R | A | -0.5310 | |
477 | I | A | 0.0000 | |
478 | A | A | 0.0000 | |
479 | A | A | 0.0000 | |
480 | T | A | -0.5878 | |
481 | F | A | 0.0000 | |
482 | G | A | -0.4208 | |
483 | P | A | -0.3598 | |
484 | Y | A | -0.2945 | |
485 | S | A | -0.9727 | |
486 | G | A | -0.7872 | |
487 | R | A | -0.5873 | |
488 | Y | A | 0.0000 | |
489 | V | A | 0.0000 | |
490 | W | A | 0.0000 | |
491 | H | A | 0.0000 | |
492 | C | A | 0.0000 | |
493 | H | A | 0.0000 | |
494 | I | A | 0.0000 | |
495 | L | A | 0.0000 | |
496 | E | A | 0.0000 | |
497 | H | A | -0.1913 | |
498 | E | A | 0.0000 | |
499 | D | A | 0.0000 | |
500 | Y | A | -0.4977 | |
501 | D | A | -1.1216 | |
502 | M | A | 0.0000 | |
503 | M | A | 0.0000 | |
504 | R | A | 0.0000 | |
505 | P | A | 0.0000 | |
506 | M | A | 0.0000 | |
507 | D | A | -0.8684 | |
508 | I | A | 0.0000 | |
509 | T | A | -1.5875 | |
510 | D | A | -2.1819 |