Chain sequence(s) |
A: MENIVLLLAIVSLVKSDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLNGVKPLILKDCSVAGWLLGNPMCDEFIRVPEWSYIVERANPANDLCYPGSLNDYEELKHLLSRINHFEKILIIPKSSWPNHETSLGVSAACPYQGAPSFFRNVVWLIKKNDAYPTIKISYNNTNREDLLILWGIHHSNNAEEQTNLYKNPTTYISVGTSTLNQRLVPKIATRSQVNGQRGRMDFFWTILKPDDAIHFESNGNFIAPEYAYKIVKKGDSTIMKSGVEYGHCNTKCQTPVGAINSSMPFHNIHPLTIGECPKYVKSNKLVLATGLRNSPLREKRRKRGLFGAIAGFIEGGWQGMVDGWYGYHHSNEQGSGYAADKESTQKAIDGVTNKVNSIIDKMNTQFEAVGREFNNLERRIENLNKKMEDGFLDVWTYNAELLVLMENERTLDFHDSNVKNLYDKVRLQLRDNAKELGNGCFEFYHKCDNECMESVRNGTYDYPQYSEEARLKREEISGVKLESIGTYQILSIYSTAASSLALAIMMAGLSLWMCSNGSLQCRICI
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | LK418A,TP406A,FY415A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.0402426 kcal/mol |
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] FoldX: Building mutant model (00:02:29) [INFO] FoldX: Starting FoldX energy minimalization (00:02:48) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:05:04) [INFO] Main: Simulation completed successfully. (00:05:08) |
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 | 0.8794 | |
2 | E | A | -0.3562 | |
3 | N | A | 0.5523 | |
4 | I | A | 3.0310 | |
5 | V | A | 3.3637 | |
6 | L | A | 3.9003 | |
7 | L | A | 4.3697 | |
8 | L | A | 4.5051 | |
9 | A | A | 3.8511 | |
10 | I | A | 4.4592 | |
11 | V | A | 4.2402 | |
12 | S | A | 2.6525 | |
13 | L | A | 2.6098 | |
14 | V | A | 1.6484 | |
15 | K | A | -0.8101 | |
16 | S | A | -0.8457 | |
17 | D | A | 0.0000 | |
18 | Q | A | -1.0189 | |
19 | I | A | 0.0000 | |
20 | C | A | -0.3254 | |
21 | I | A | 0.0000 | |
22 | G | A | 0.0000 | |
23 | Y | A | 0.0000 | |
24 | H | A | 0.0000 | |
25 | A | A | 0.0000 | |
26 | N | A | -1.1409 | |
27 | N | A | -1.7833 | |
28 | S | A | -1.3161 | |
29 | T | A | -1.3390 | |
30 | E | A | -1.9792 | |
31 | Q | A | -1.9579 | |
32 | V | A | 0.0000 | |
33 | D | A | -1.4816 | |
34 | T | A | 0.0000 | |
35 | I | A | 0.5500 | |
36 | M | A | 0.6049 | |
37 | E | A | -1.3118 | |
38 | K | A | -2.4580 | |
39 | N | A | -2.6779 | |
40 | V | A | 0.0000 | |
41 | T | A | -1.3257 | |
42 | V | A | 0.0000 | |
43 | T | A | 0.0000 | |
44 | H | A | -0.9893 | |
45 | A | A | -0.9996 | |
46 | Q | A | -1.1287 | |
47 | D | A | -1.3127 | |
48 | I | A | 0.0000 | |
49 | L | A | 0.0000 | |
50 | E | A | -1.4258 | |
51 | K | A | -1.7786 | |
52 | T | A | -1.2543 | |
53 | H | A | -1.3586 | |
54 | N | A | -1.2552 | |
55 | G | A | -0.9378 | |
56 | K | A | -1.4130 | |
57 | L | A | 0.0000 | |
58 | C | A | 0.0000 | |
59 | D | A | -1.9587 | |
60 | L | A | 0.0000 | |
61 | N | A | -2.3413 | |
62 | G | A | -1.7626 | |
63 | V | A | -1.5982 | |
64 | K | A | -2.0599 | |
65 | P | A | -0.8060 | |
66 | L | A | 0.0000 | |
67 | I | A | -0.8889 | |
68 | L | A | 0.0000 | |
69 | K | A | -2.4145 | |
70 | D | A | -2.2384 | |
71 | C | A | 0.0000 | |
72 | S | A | 0.0000 | |
73 | V | A | 0.0000 | |
74 | A | A | 0.0000 | |
75 | G | A | 0.0000 | |
76 | W | A | 0.0000 | |
77 | L | A | 0.0000 | |
78 | L | A | 0.0000 | |
79 | G | A | 0.0000 | |
80 | N | A | 0.0000 | |
81 | P | A | 0.0000 | |
82 | M | A | -0.3284 | |
83 | C | A | 0.0000 | |
84 | D | A | -1.4194 | |
85 | E | A | -2.0401 | |
86 | F | A | 0.0000 | |
87 | I | A | -0.9707 | |
88 | R | A | -2.1855 | |
89 | V | A | -1.4019 | |
90 | P | A | -1.6272 | |
91 | E | A | -2.1951 | |
92 | W | A | 0.0000 | |
93 | S | A | 0.0000 | |
94 | Y | A | 0.0000 | |
95 | I | A | 0.0000 | |
96 | V | A | 0.0000 | |
97 | E | A | 0.0000 | |
98 | R | A | -2.5468 | |
99 | A | A | -1.6048 | |
100 | N | A | -1.9882 | |
101 | P | A | -1.8812 | |
102 | A | A | -1.1176 | |
103 | N | A | -0.9281 | |
104 | D | A | -0.9084 | |
105 | L | A | -0.3969 | |
106 | C | A | 0.0000 | |
107 | Y | A | 0.0000 | |
108 | P | A | 0.0000 | |
109 | G | A | -0.3917 | |
110 | S | A | -0.6857 | |
111 | L | A | 0.0000 | |
112 | N | A | -1.6925 | |
113 | D | A | -2.6557 | |
114 | Y | A | -1.6955 | |
115 | E | A | -2.0549 | |
116 | E | A | -2.7069 | |
117 | L | A | 0.0000 | |
118 | K | A | -1.2696 | |
119 | H | A | -1.5362 | |
120 | L | A | -1.0528 | |
121 | L | A | 0.0000 | |
122 | S | A | 0.0000 | |
123 | R | A | -1.9545 | |
124 | I | A | 0.0000 | |
125 | N | A | -2.3210 | |
126 | H | A | -1.7806 | |
127 | F | A | 0.0000 | |
128 | E | A | -1.8666 | |
129 | K | A | -0.8714 | |
130 | I | A | 0.3412 | |
131 | L | A | 1.1060 | |
132 | I | A | 0.0000 | |
133 | I | A | 0.0000 | |
134 | P | A | -0.4666 | |
135 | K | A | -1.3700 | |
136 | S | A | -1.0601 | |
137 | S | A | -0.7805 | |
138 | W | A | 0.0000 | |
139 | P | A | -1.2642 | |
140 | N | A | -1.9158 | |
141 | H | A | 0.0000 | |
142 | E | A | -0.8962 | |
143 | T | A | -0.3504 | |
144 | S | A | 0.4402 | |
145 | L | A | 1.4987 | |
146 | G | A | 0.0000 | |
147 | V | A | 1.2024 | |
148 | S | A | 0.0000 | |
149 | A | A | -0.2304 | |
150 | A | A | 0.0000 | |
151 | C | A | 0.0000 | |
152 | P | A | -0.1873 | |
153 | Y | A | -0.2609 | |
154 | Q | A | -1.2053 | |
155 | G | A | -0.9687 | |
156 | A | A | -0.4519 | |
157 | P | A | -0.0024 | |
158 | S | A | 0.1469 | |
159 | F | A | 0.3120 | |
160 | F | A | 0.0000 | |
161 | R | A | -1.0991 | |
162 | N | A | 0.0000 | |
163 | V | A | 0.0000 | |
164 | V | A | 0.0000 | |
165 | W | A | 0.0000 | |
166 | L | A | 0.0000 | |
167 | I | A | 0.0000 | |
168 | K | A | -2.0853 | |
169 | K | A | -2.4199 | |
170 | N | A | -2.8547 | |
171 | D | A | -3.1900 | |
172 | A | A | -2.1868 | |
173 | Y | A | 0.0000 | |
174 | P | A | -0.9306 | |
175 | T | A | -0.7499 | |
176 | I | A | 0.0000 | |
177 | K | A | -1.8899 | |
178 | I | A | -0.7986 | |
179 | S | A | -0.9281 | |
180 | Y | A | -0.6412 | |
181 | N | A | -2.0545 | |
182 | N | A | 0.0000 | |
183 | T | A | -1.7936 | |
184 | N | A | -2.1262 | |
185 | R | A | -2.7012 | |
186 | E | A | 0.0000 | |
187 | D | A | -2.0730 | |
188 | L | A | 0.0000 | |
189 | L | A | 0.0000 | |
190 | I | A | 0.0000 | |
191 | L | A | 0.0000 | |
192 | W | A | 0.0000 | |
193 | G | A | 0.0000 | |
194 | I | A | 0.0000 | |
195 | H | A | 0.0000 | |
196 | H | A | 0.0000 | |
197 | S | A | 0.0000 | |
198 | N | A | 0.0000 | |
199 | N | A | -1.2263 | |
200 | A | A | -1.2430 | |
201 | E | A | -2.6757 | |
202 | E | A | -1.9768 | |
203 | Q | A | 0.0000 | |
204 | T | A | -2.3143 | |
205 | N | A | -2.5896 | |
206 | L | A | -1.4806 | |
207 | Y | A | 0.0000 | |
208 | K | A | -2.7251 | |
209 | N | A | -1.2831 | |
210 | P | A | -1.0157 | |
211 | T | A | -0.1063 | |
212 | T | A | 0.0000 | |
213 | Y | A | 0.3989 | |
214 | I | A | 0.0000 | |
215 | S | A | -1.2364 | |
216 | V | A | 0.0000 | |
217 | G | A | -1.1798 | |
218 | T | A | -0.8745 | |
219 | S | A | -0.9191 | |
220 | T | A | -0.4800 | |
221 | L | A | -0.6831 | |
222 | N | A | -1.7800 | |
223 | Q | A | -1.6001 | |
224 | R | A | -1.6926 | |
225 | L | A | -0.0564 | |
226 | V | A | 1.1736 | |
227 | P | A | 0.2641 | |
228 | K | A | -0.9343 | |
229 | I | A | -0.0517 | |
230 | A | A | -0.4143 | |
231 | T | A | -0.8016 | |
232 | R | A | -1.0173 | |
233 | S | A | -1.2511 | |
234 | Q | A | -1.8898 | |
235 | V | A | -0.9352 | |
236 | N | A | -1.5595 | |
237 | G | A | -1.4842 | |
238 | Q | A | -1.5730 | |
239 | R | A | -1.8875 | |
240 | G | A | 0.0000 | |
241 | R | A | -0.8847 | |
242 | M | A | 0.0000 | |
243 | D | A | -0.4899 | |
244 | F | A | 0.0000 | |
245 | F | A | -0.2293 | |
246 | W | A | 0.0592 | |
247 | T | A | 0.0307 | |
248 | I | A | -0.0035 | |
249 | L | A | 0.0000 | |
250 | K | A | -2.8840 | |
251 | P | A | -2.8068 | |
252 | D | A | -3.0793 | |
253 | D | A | -2.0423 | |
254 | A | A | -1.5562 | |
255 | I | A | 0.0000 | |
256 | H | A | -1.4952 | |
257 | F | A | 0.0000 | |
258 | E | A | -1.3845 | |
259 | S | A | 0.0000 | |
260 | N | A | -0.6982 | |
261 | G | A | 0.0000 | |
262 | N | A | 0.0000 | |
263 | F | A | 0.0000 | |
264 | I | A | 0.0000 | |
265 | A | A | 0.0000 | |
266 | P | A | 0.0000 | |
267 | E | A | 0.0000 | |
268 | Y | A | 0.5380 | |
269 | A | A | 0.0000 | |
270 | Y | A | 0.0000 | |
271 | K | A | -1.1640 | |
272 | I | A | 0.0000 | |
273 | V | A | -1.4936 | |
274 | K | A | -2.2377 | |
275 | K | A | -2.8767 | |
276 | G | A | -2.3835 | |
277 | D | A | -2.7584 | |
278 | S | A | 0.0000 | |
279 | T | A | 0.0000 | |
280 | I | A | 0.0000 | |
281 | M | A | 0.0000 | |
282 | K | A | -1.7398 | |
283 | S | A | -1.2880 | |
284 | G | A | -1.3786 | |
285 | V | A | -0.9821 | |
286 | E | A | -1.8552 | |
287 | Y | A | -1.2222 | |
288 | G | A | -1.3517 | |
289 | H | A | -1.7064 | |
290 | C | A | -1.4180 | |
291 | N | A | -2.4297 | |
292 | T | A | 0.0000 | |
293 | K | A | -2.1080 | |
294 | C | A | 0.0000 | |
295 | Q | A | 0.0000 | |
296 | T | A | 0.0000 | |
297 | P | A | -0.0863 | |
298 | V | A | -0.0365 | |
299 | G | A | 0.0000 | |
300 | A | A | 0.0000 | |
301 | I | A | 0.0000 | |
302 | N | A | -1.8877 | |
303 | S | A | -1.0500 | |
304 | S | A | -0.9083 | |
305 | M | A | -0.5009 | |
306 | P | A | 0.0000 | |
307 | F | A | 0.0000 | |
308 | H | A | 0.0000 | |
309 | N | A | -1.4470 | |
310 | I | A | -0.6101 | |
311 | H | A | -0.3222 | |
312 | P | A | -0.3918 | |
313 | L | A | -0.0685 | |
314 | T | A | 0.0000 | |
315 | I | A | 0.0000 | |
316 | G | A | 0.0000 | |
317 | E | A | -2.3296 | |
318 | C | A | 0.0000 | |
319 | P | A | 0.0000 | |
320 | K | A | -0.1976 | |
321 | Y | A | -0.2475 | |
322 | V | A | 0.0000 | |
323 | K | A | -2.2242 | |
324 | S | A | 0.0000 | |
325 | N | A | -2.2670 | |
326 | K | A | -1.8602 | |
327 | L | A | 0.0000 | |
328 | V | A | 0.0000 | |
329 | L | A | 0.0000 | |
330 | A | A | 0.0000 | |
331 | T | A | -0.2952 | |
332 | G | A | 0.0000 | |
333 | L | A | 0.0000 | |
334 | R | A | -0.6024 | |
335 | N | A | 0.0000 | |
336 | S | A | 0.0000 | |
337 | P | A | -0.7778 | |
338 | L | A | -0.6108 | |
339 | R | A | -2.8777 | |
340 | E | A | -2.9654 | |
341 | K | A | -3.9825 | |
342 | R | A | -3.7959 | |
343 | R | A | -3.5842 | |
344 | K | A | -2.8258 | |
345 | R | A | -2.6409 | |
346 | G | A | -0.2027 | |
347 | L | A | 1.2652 | |
348 | F | A | 1.4305 | |
349 | G | A | 0.3123 | |
350 | A | A | 0.0000 | |
351 | I | A | 0.0000 | |
352 | A | A | -2.4661 | |
353 | G | A | -1.2896 | |
354 | F | A | -0.6299 | |
355 | I | A | 0.0000 | |
356 | E | A | -3.0752 | |
357 | G | A | -1.5244 | |
358 | G | A | 0.0000 | |
359 | W | A | -0.1844 | |
360 | Q | A | -1.1592 | |
361 | G | A | -0.6430 | |
362 | M | A | 0.0000 | |
363 | V | A | 0.5910 | |
364 | D | A | -1.1458 | |
365 | G | A | -0.9947 | |
366 | W | A | 0.0000 | |
367 | Y | A | 0.0000 | |
368 | G | A | 0.0000 | |
369 | Y | A | 0.0000 | |
370 | H | A | -0.1187 | |
371 | H | A | -0.7656 | |
372 | S | A | -1.4675 | |
373 | N | A | -2.4160 | |
374 | E | A | -3.1151 | |
375 | Q | A | -2.6868 | |
376 | G | A | -1.9282 | |
377 | S | A | -1.1202 | |
378 | G | A | -0.1462 | |
379 | Y | A | 0.4565 | |
380 | A | A | -0.3225 | |
381 | A | A | 0.0000 | |
382 | D | A | 0.0000 | |
383 | K | A | -3.1638 | |
384 | E | A | -3.4678 | |
385 | S | A | -2.2813 | |
386 | T | A | 0.0000 | |
387 | Q | A | -3.0703 | |
388 | K | A | -3.2326 | |
389 | A | A | 0.0000 | |
390 | I | A | -1.1691 | |
391 | D | A | -2.4589 | |
392 | G | A | -1.9953 | |
393 | V | A | 0.0000 | |
394 | T | A | -1.4351 | |
395 | N | A | -2.2125 | |
396 | K | A | -1.5237 | |
397 | V | A | 0.0000 | |
398 | N | A | -2.4515 | |
399 | S | A | -2.1081 | |
400 | I | A | 0.0000 | |
401 | I | A | -1.8717 | |
402 | D | A | -3.1694 | |
403 | K | A | -3.0700 | |
404 | M | A | -2.0255 | |
405 | N | A | -2.7081 | |
406 | P | A | -2.1656 | mutated: TP406A |
407 | Q | A | -1.8848 | |
408 | F | A | -1.2291 | |
409 | E | A | -2.0828 | |
410 | A | A | -1.2471 | |
411 | V | A | -0.3245 | |
412 | G | A | -0.8633 | |
413 | R | A | -1.5100 | |
414 | E | A | -1.1903 | |
415 | Y | A | -1.9026 | mutated: FY415A |
416 | N | A | -2.1060 | |
417 | N | A | -3.1366 | |
418 | K | A | -3.3921 | mutated: LK418A |
419 | E | A | -3.0896 | |
420 | R | A | -3.7897 | |
421 | R | A | -3.0653 | |
422 | I | A | -1.4456 | |
423 | E | A | -2.7451 | |
424 | N | A | -2.1632 | |
425 | L | A | -1.2967 | |
426 | N | A | -1.7662 | |
427 | K | A | -2.5675 | |
428 | K | A | -2.3545 | |
429 | M | A | -0.9196 | |
430 | E | A | -1.3290 | |
431 | D | A | -2.2853 | |
432 | G | A | -0.8310 | |
433 | F | A | 1.2722 | |
434 | L | A | -0.2873 | |
435 | D | A | -0.8167 | |
436 | V | A | 1.5017 | |
437 | W | A | 0.6287 | |
438 | T | A | 0.0098 | |
439 | Y | A | 0.7603 | |
440 | N | A | -0.2329 | |
441 | A | A | 0.0000 | |
442 | E | A | -0.7626 | |
443 | L | A | 0.3592 | |
444 | L | A | 0.1926 | |
445 | V | A | 0.0000 | |
446 | L | A | -0.0383 | |
447 | M | A | 0.2128 | |
448 | E | A | -0.7038 | |
449 | N | A | 0.0000 | |
450 | E | A | -0.6450 | |
451 | R | A | -1.6194 | |
452 | T | A | 0.0000 | |
453 | L | A | 0.0000 | |
454 | D | A | -0.2306 | |
455 | F | A | 0.3625 | |
456 | H | A | 0.0000 | |
457 | D | A | 0.0000 | |
458 | S | A | 0.2519 | |
459 | N | A | 0.0000 | |
460 | V | A | 0.0000 | |
461 | K | A | -0.9563 | |
462 | N | A | -1.9191 | |
463 | L | A | 0.0000 | |
464 | Y | A | -1.1320 | |
465 | D | A | -1.6457 | |
466 | K | A | -1.4722 | |
467 | V | A | 0.0000 | |
468 | R | A | -2.3220 | |
469 | L | A | -0.2666 | |
470 | Q | A | -1.1064 | |
471 | L | A | 0.0000 | |
472 | R | A | -2.4950 | |
473 | D | A | -2.2971 | |
474 | N | A | 0.0000 | |
475 | A | A | 0.0000 | |
476 | K | A | -2.3148 | |
477 | E | A | -2.6315 | |
478 | L | A | -0.6281 | |
479 | G | A | -1.1659 | |
480 | N | A | -1.6839 | |
481 | G | A | 0.0000 | |
482 | C | A | -0.8983 | |
483 | F | A | 0.0000 | |
484 | E | A | -1.0109 | |
485 | F | A | 0.0000 | |
486 | Y | A | -0.9641 | |
487 | H | A | 0.0000 | |
488 | K | A | -2.2546 | |
489 | C | A | 0.0000 | |
490 | D | A | -3.0429 | |
491 | N | A | -3.3391 | |
492 | E | A | -3.1170 | |
493 | C | A | 0.0000 | |
494 | M | A | 0.0000 | |
495 | E | A | -3.1683 | |
496 | S | A | -2.4761 | |
497 | V | A | 0.0000 | |
498 | R | A | -1.7728 | |
499 | N | A | -2.2878 | |
500 | G | A | -1.5433 | |
501 | T | A | -1.3804 | |
502 | Y | A | 0.0000 | |
503 | D | A | -2.0892 | |
504 | Y | A | -1.5263 | |
505 | P | A | -1.6446 | |
506 | Q | A | -2.2150 | |
507 | Y | A | -2.1651 | |
508 | S | A | -2.4605 | |
509 | E | A | -3.0776 | |
510 | E | A | -2.9281 | |
511 | A | A | 0.0000 | |
512 | R | A | -3.0894 | |
513 | L | A | -1.5657 | |
514 | K | A | -2.0934 | |
515 | R | A | -1.9431 | |
516 | E | A | -2.0966 | |
517 | E | A | -1.8232 | |
518 | I | A | 0.3167 | |
519 | S | A | -0.4649 | |
520 | G | A | -0.5117 | |
521 | V | A | 0.1283 | |
522 | K | A | -1.1808 | |
523 | L | A | 0.3525 | |
524 | E | A | -0.8720 | |
525 | S | A | 0.4423 | |
526 | I | A | 2.1380 | |
527 | G | A | 0.8095 | |
528 | T | A | 1.4454 | |
529 | Y | A | 2.4086 | |
530 | Q | A | 1.4632 | |
531 | I | A | 2.8041 | |
532 | L | A | 3.1625 | |
533 | S | A | 1.9058 | |
534 | I | A | 2.6808 | |
535 | Y | A | 2.6736 | |
536 | S | A | 1.5263 | |
537 | T | A | 1.1933 | |
538 | A | A | 1.4102 | |
539 | A | A | 1.2896 | |
540 | S | A | 1.0528 | |
541 | S | A | 1.3797 | |
542 | L | A | 2.5755 | |
543 | A | A | 2.2988 | |
544 | L | A | 2.7854 | |
545 | A | A | 2.7550 | |
546 | I | A | 3.5420 | |
547 | M | A | 3.2038 | |
548 | M | A | 3.1080 | |
549 | A | A | 2.3895 | |
550 | G | A | 2.2783 | |
551 | L | A | 2.4734 | |
552 | S | A | 2.1128 | |
553 | L | A | 2.3490 | |
554 | W | A | 1.9627 | |
555 | M | A | 0.9606 | |
556 | C | A | 0.4153 | |
557 | S | A | 0.0332 | |
558 | N | A | -0.9992 | |
559 | G | A | -0.8081 | |
560 | S | A | -0.4190 | |
561 | L | A | 0.1614 | |
562 | Q | A | -0.9777 | |
563 | C | A | 0.1081 | |
564 | R | A | -0.3718 | |
565 | I | A | 2.0236 | |
566 | C | A | 2.1778 | |
567 | I | A | 2.7100 |