Chain sequence(s) |
A: MSTQQVSSENIVRNAANFHPNIWGNHFLTCPSQTIDSWTQQHHKELKEEVRKMMVSDANKPAQRLRLIDTVQRLGVAYHFEKEIDDALEKIGHDPFDDKDDLYIVSLCFRLLRQHGIKISCDVFEKFKDDDGKFKASLMNDVQGMLSLYEAAHLAIHGEDILDEAIVFTTTHLKSTVSNSPVNSTFAEQIRHSLRVPLRKAVPRLESRYFLDIYSRDDLHDKTLLNFAKLDFNILQAMHQKEASEMTRWWRDFDFLKKLPYIRDRVVELYFWILVGVSYQPKFSTGRIFLSKIICLETLVDDTFDAYGTFDELAIFTEAVTRWDLGHRDALPEYMKFIFKTLIDVYSEAEQELAKEGRSYSIHYAIRSFQELVMKYFCEAKWLNKGYVPSLDDYKSVSLRSIGFLPIAVASFVFMGDIATKEVFEWEMNNPKIIIAAETIVRFLDDIAGHRFEQKREHSPSAIECYKNQHGVSEEEAVKALSLEVANSWKDINEELLLNPMAIPLPLLQVILDLSRSADFMYGNAQDRFTHSTMMKDQVDLVLKDPVKLDD
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | VV441A |
Energy difference between WT (input) and mutated protein (by FoldX) | -0.017712 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 (00:03:46) [INFO] FoldX: Starting FoldX energy minimalization (00:03:51) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:06:53) [INFO] Main: Simulation completed successfully. (00:06:57) |
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 | 0.7776 | |
2 | S | A | -0.2343 | |
3 | T | A | -0.6106 | |
4 | Q | A | -1.2463 | |
5 | Q | A | -1.0670 | |
6 | V | A | 0.3812 | |
7 | S | A | -0.7097 | |
8 | S | A | -0.9359 | |
9 | E | A | -1.4890 | |
10 | N | A | -0.8166 | |
11 | I | A | 1.4989 | |
12 | V | A | 1.8724 | |
13 | R | A | 0.7353 | |
14 | N | A | -0.3479 | |
15 | A | A | -0.5145 | |
16 | A | A | -1.1926 | |
17 | N | A | -1.3678 | |
18 | F | A | -0.9060 | |
19 | H | A | -1.3261 | |
20 | P | A | -0.8181 | |
21 | N | A | -0.6341 | |
22 | I | A | -0.2845 | |
23 | W | A | 0.0000 | |
24 | G | A | -1.0374 | |
25 | N | A | -1.9086 | |
26 | H | A | -1.1092 | |
27 | F | A | 0.0000 | |
28 | L | A | -1.6366 | |
29 | T | A | -1.0359 | |
30 | C | A | -0.9524 | |
31 | P | A | -0.9080 | |
32 | S | A | -1.0322 | |
33 | Q | A | -1.6065 | |
34 | T | A | -0.9074 | |
35 | I | A | -0.7955 | |
36 | D | A | -1.8082 | |
37 | S | A | -1.1129 | |
38 | W | A | -0.3810 | |
39 | T | A | -1.1254 | |
40 | Q | A | -2.4159 | |
41 | Q | A | -2.7140 | |
42 | H | A | -2.0573 | |
43 | H | A | -2.3578 | |
44 | K | A | -3.3702 | |
45 | E | A | -3.7314 | |
46 | L | A | -2.6077 | |
47 | K | A | -2.7674 | |
48 | E | A | -3.1606 | |
49 | E | A | -3.2168 | |
50 | V | A | 0.0000 | |
51 | R | A | -2.1163 | |
52 | K | A | -2.3371 | |
53 | M | A | -1.1048 | |
54 | M | A | 0.0000 | |
55 | V | A | 0.2892 | |
56 | S | A | -0.8656 | |
57 | D | A | -1.9047 | |
58 | A | A | -1.2629 | |
59 | N | A | -1.7542 | |
60 | K | A | -2.3543 | |
61 | P | A | -2.4222 | |
62 | A | A | -1.9906 | |
63 | Q | A | -2.4402 | |
64 | R | A | -1.7565 | |
65 | L | A | 0.0000 | |
66 | R | A | -2.1621 | |
67 | L | A | -1.2675 | |
68 | I | A | 0.0000 | |
69 | D | A | -1.0663 | |
70 | T | A | -0.7859 | |
71 | V | A | 0.0000 | |
72 | Q | A | -0.9144 | |
73 | R | A | -0.4115 | |
74 | L | A | 0.0000 | |
75 | G | A | 0.0000 | |
76 | V | A | 0.0000 | |
77 | A | A | 0.0000 | |
78 | Y | A | -0.8271 | |
79 | H | A | -1.0865 | |
80 | F | A | 0.0000 | |
81 | E | A | -3.1989 | |
82 | K | A | -3.3829 | |
83 | E | A | -2.2190 | |
84 | I | A | 0.0000 | |
85 | D | A | -3.6204 | |
86 | D | A | -3.0684 | |
87 | A | A | -2.0573 | |
88 | L | A | 0.0000 | |
89 | E | A | -3.7564 | |
90 | K | A | -3.8512 | |
91 | I | A | 0.0000 | |
92 | G | A | -2.4942 | |
93 | H | A | -2.9878 | |
94 | D | A | -3.2964 | |
95 | P | A | -2.3692 | |
96 | F | A | -2.2712 | |
97 | D | A | -3.4569 | |
98 | D | A | -3.6465 | |
99 | K | A | -4.0137 | |
100 | D | A | -3.8556 | |
101 | D | A | -2.9416 | |
102 | L | A | 0.0000 | |
103 | Y | A | -0.7516 | |
104 | I | A | 0.0000 | |
105 | V | A | -0.9359 | |
106 | S | A | 0.0000 | |
107 | L | A | 0.0000 | |
108 | C | A | 0.0000 | |
109 | F | A | 0.0000 | |
110 | R | A | 0.0000 | |
111 | L | A | 0.0000 | |
112 | L | A | 0.0000 | |
113 | R | A | 0.0000 | |
114 | Q | A | -0.4562 | |
115 | H | A | -0.8864 | |
116 | G | A | -0.4843 | |
117 | I | A | -0.8884 | |
118 | K | A | -1.6067 | |
119 | I | A | -0.7071 | |
120 | S | A | -0.8371 | |
121 | C | A | -1.4271 | |
122 | D | A | -2.3157 | |
123 | V | A | -1.3502 | |
124 | F | A | 0.0000 | |
125 | E | A | -3.1662 | |
126 | K | A | -2.9943 | |
127 | F | A | 0.0000 | |
128 | K | A | -3.1615 | |
129 | D | A | -3.7500 | |
130 | D | A | -3.7151 | |
131 | D | A | -3.6920 | |
132 | G | A | -3.3688 | |
133 | K | A | -3.6060 | |
134 | F | A | 0.0000 | |
135 | K | A | -2.0222 | |
136 | A | A | -0.7953 | |
137 | S | A | -0.7634 | |
138 | L | A | -0.6510 | |
139 | M | A | -0.5087 | |
140 | N | A | -1.4095 | |
141 | D | A | -1.3090 | |
142 | V | A | -0.4708 | |
143 | Q | A | -0.6962 | |
144 | G | A | 0.0000 | |
145 | M | A | 0.0000 | |
146 | L | A | 0.0000 | |
147 | S | A | 0.0000 | |
148 | L | A | 0.0000 | |
149 | Y | A | 0.0000 | |
150 | E | A | 0.0000 | |
151 | A | A | 0.0000 | |
152 | A | A | 0.0000 | |
153 | H | A | -0.2822 | |
154 | L | A | 0.0000 | |
155 | A | A | 0.0000 | |
156 | I | A | 0.0000 | |
157 | H | A | -1.5746 | |
158 | G | A | -1.4409 | |
159 | E | A | 0.0000 | |
160 | D | A | -2.6153 | |
161 | I | A | 0.0000 | |
162 | L | A | 0.0000 | |
163 | D | A | -1.6892 | |
164 | E | A | -1.4406 | |
165 | A | A | 0.0000 | |
166 | I | A | 0.4825 | |
167 | V | A | 1.4412 | |
168 | F | A | 0.4921 | |
169 | T | A | 0.0000 | |
170 | T | A | 0.1199 | |
171 | T | A | -0.1436 | |
172 | H | A | -0.4845 | |
173 | L | A | 0.0000 | |
174 | K | A | -2.1055 | |
175 | S | A | -1.3609 | |
176 | T | A | -1.1198 | |
177 | V | A | -0.9268 | |
178 | S | A | -1.1407 | |
179 | N | A | -1.4368 | |
180 | S | A | -0.5195 | |
181 | P | A | -0.1027 | |
182 | V | A | 0.8232 | |
183 | N | A | -0.5187 | |
184 | S | A | -0.0699 | |
185 | T | A | -0.5073 | |
186 | F | A | 0.3872 | |
187 | A | A | 0.0000 | |
188 | E | A | -0.6191 | |
189 | Q | A | -0.5213 | |
190 | I | A | 0.0000 | |
191 | R | A | -1.5902 | |
192 | H | A | -1.0420 | |
193 | S | A | 0.0000 | |
194 | L | A | -1.2524 | |
195 | R | A | -1.9856 | |
196 | V | A | -0.8225 | |
197 | P | A | 0.0000 | |
198 | L | A | 0.0000 | |
199 | R | A | 0.0000 | |
200 | K | A | -0.2427 | |
201 | A | A | 0.0000 | |
202 | V | A | 0.0000 | |
203 | P | A | -0.1366 | |
204 | R | A | 0.0000 | |
205 | L | A | 0.1970 | |
206 | E | A | 0.0000 | |
207 | S | A | 0.0000 | |
208 | R | A | -0.2905 | |
209 | Y | A | -0.1983 | |
210 | F | A | 0.0000 | |
211 | L | A | 0.0000 | |
212 | D | A | -1.8085 | |
213 | I | A | 0.0000 | |
214 | Y | A | -1.4128 | |
215 | S | A | -2.0094 | |
216 | R | A | -2.2890 | |
217 | D | A | -2.2673 | |
218 | D | A | -2.0431 | |
219 | L | A | -0.3234 | |
220 | H | A | -1.3330 | |
221 | D | A | -1.7091 | |
222 | K | A | -2.1363 | |
223 | T | A | -1.6085 | |
224 | L | A | 0.0000 | |
225 | L | A | 0.0000 | |
226 | N | A | -1.2165 | |
227 | F | A | 0.0000 | |
228 | A | A | 0.0000 | |
229 | K | A | 0.0000 | |
230 | L | A | 0.0000 | |
231 | D | A | 0.0000 | |
232 | F | A | 0.0000 | |
233 | N | A | -0.3989 | |
234 | I | A | 0.1606 | |
235 | L | A | 0.0000 | |
236 | Q | A | 0.0000 | |
237 | A | A | -0.5220 | |
238 | M | A | -0.2587 | |
239 | H | A | 0.0000 | |
240 | Q | A | 0.0000 | |
241 | K | A | -2.2118 | |
242 | E | A | 0.0000 | |
243 | A | A | 0.0000 | |
244 | S | A | -2.0869 | |
245 | E | A | -2.9260 | |
246 | M | A | 0.0000 | |
247 | T | A | 0.0000 | |
248 | R | A | -3.4042 | |
249 | W | A | -2.2289 | |
250 | W | A | 0.0000 | |
251 | R | A | -3.1173 | |
252 | D | A | -2.9252 | |
253 | F | A | -1.7321 | |
254 | D | A | -2.2194 | |
255 | F | A | 0.0000 | |
256 | L | A | -1.1891 | |
257 | K | A | -2.3619 | |
258 | K | A | -2.4958 | |
259 | L | A | 0.0000 | |
260 | P | A | -1.0252 | |
261 | Y | A | 0.0000 | |
262 | I | A | 0.0000 | |
263 | R | A | -0.6101 | |
264 | D | A | -0.3983 | |
265 | R | A | 0.0000 | |
266 | V | A | 0.0000 | |
267 | V | A | 0.0000 | |
268 | E | A | 0.0000 | |
269 | L | A | 0.0000 | |
270 | Y | A | 0.0000 | |
271 | F | A | 0.0000 | |
272 | W | A | 0.1650 | |
273 | I | A | 0.0000 | |
274 | L | A | 0.0000 | |
275 | V | A | 0.0000 | |
276 | G | A | 0.0000 | |
277 | V | A | 0.0000 | |
278 | S | A | -0.2982 | |
279 | Y | A | 0.0000 | |
280 | Q | A | -0.6321 | |
281 | P | A | -0.8426 | |
282 | K | A | -1.6272 | |
283 | F | A | -0.5418 | |
284 | S | A | -0.3810 | |
285 | T | A | -0.1535 | |
286 | G | A | -0.0276 | |
287 | R | A | 0.0000 | |
288 | I | A | -0.0554 | |
289 | F | A | 0.0000 | |
290 | L | A | 0.0000 | |
291 | S | A | 0.0000 | |
292 | K | A | 0.0000 | |
293 | I | A | 0.0000 | |
294 | I | A | 0.0000 | |
295 | C | A | 0.0000 | |
296 | L | A | 0.0000 | |
297 | E | A | 0.0000 | |
298 | T | A | 0.0000 | |
299 | L | A | 0.0000 | |
300 | V | A | 0.0000 | |
301 | D | A | -0.4730 | |
302 | D | A | 0.0000 | |
303 | T | A | 0.0000 | |
304 | F | A | 0.0000 | |
305 | D | A | -0.8106 | |
306 | A | A | 0.0000 | |
307 | Y | A | 0.0796 | |
308 | G | A | -0.0356 | |
309 | T | A | -0.1387 | |
310 | F | A | -0.5604 | |
311 | D | A | -1.4451 | |
312 | E | A | -0.6329 | |
313 | L | A | 0.0000 | |
314 | A | A | -0.6131 | |
315 | I | A | -0.5886 | |
316 | F | A | 0.0000 | |
317 | T | A | 0.0000 | |
318 | E | A | -2.2485 | |
319 | A | A | 0.0000 | |
320 | V | A | 0.0000 | |
321 | T | A | -1.7587 | |
322 | R | A | -2.8523 | |
323 | W | A | -1.9917 | |
324 | D | A | -2.7272 | |
325 | L | A | -1.9401 | |
326 | G | A | -2.1575 | |
327 | H | A | -3.0367 | |
328 | R | A | -3.3973 | |
329 | D | A | -3.1045 | |
330 | A | A | -1.7223 | |
331 | L | A | 0.0000 | |
332 | P | A | -1.4038 | |
333 | E | A | -2.4654 | |
334 | Y | A | -1.1486 | |
335 | M | A | 0.0000 | |
336 | K | A | -1.9290 | |
337 | F | A | -1.0442 | |
338 | I | A | 0.0000 | |
339 | F | A | 0.0000 | |
340 | K | A | -1.4351 | |
341 | T | A | 0.0000 | |
342 | L | A | 0.0000 | |
343 | I | A | -0.8503 | |
344 | D | A | -1.5752 | |
345 | V | A | 0.0000 | |
346 | Y | A | 0.0000 | |
347 | S | A | -2.1540 | |
348 | E | A | -3.1159 | |
349 | A | A | 0.0000 | |
350 | E | A | -3.2580 | |
351 | Q | A | -3.5869 | |
352 | E | A | -3.3955 | |
353 | L | A | 0.0000 | |
354 | A | A | -2.6483 | |
355 | K | A | -3.4434 | |
356 | E | A | -3.3987 | |
357 | G | A | -2.1797 | |
358 | R | A | 0.0000 | |
359 | S | A | -1.6424 | |
360 | Y | A | -0.4388 | |
361 | S | A | 0.0000 | |
362 | I | A | 0.0000 | |
363 | H | A | -1.2308 | |
364 | Y | A | 0.0000 | |
365 | A | A | 0.0000 | |
366 | I | A | -0.5658 | |
367 | R | A | -1.1635 | |
368 | S | A | 0.0000 | |
369 | F | A | 0.0000 | |
370 | Q | A | -0.9160 | |
371 | E | A | -0.4900 | |
372 | L | A | 0.0000 | |
373 | V | A | 0.0000 | |
374 | M | A | -0.0717 | |
375 | K | A | -0.2170 | |
376 | Y | A | 0.0000 | |
377 | F | A | 0.0207 | |
378 | C | A | -0.1164 | |
379 | E | A | -0.4258 | |
380 | A | A | -0.7440 | |
381 | K | A | -1.2724 | |
382 | W | A | -0.6524 | |
383 | L | A | -1.0647 | |
384 | N | A | -2.2097 | |
385 | K | A | -2.2026 | |
386 | G | A | -1.2263 | |
387 | Y | A | 0.1567 | |
388 | V | A | 0.2998 | |
389 | P | A | 0.0000 | |
390 | S | A | -1.4837 | |
391 | L | A | -1.6912 | |
392 | D | A | -2.5690 | |
393 | D | A | -2.2853 | |
394 | Y | A | 0.0000 | |
395 | K | A | -1.6539 | |
396 | S | A | -1.4232 | |
397 | V | A | 0.0000 | |
398 | S | A | 0.0000 | |
399 | L | A | 0.0000 | |
400 | R | A | -0.2462 | |
401 | S | A | 0.0000 | |
402 | I | A | 0.0415 | |
403 | G | A | 0.0000 | |
404 | F | A | 0.0000 | |
405 | L | A | 0.0000 | |
406 | P | A | 0.0000 | |
407 | I | A | 0.0000 | |
408 | A | A | 0.0000 | |
409 | V | A | 0.0000 | |
410 | A | A | 0.0000 | |
411 | S | A | 0.0000 | |
412 | F | A | 0.0000 | |
413 | V | A | 0.0000 | |
414 | F | A | -0.1415 | |
415 | M | A | -0.2730 | |
416 | G | A | -0.8748 | |
417 | D | A | -1.7862 | |
418 | I | A | -0.3443 | |
419 | A | A | 0.0000 | |
420 | T | A | -1.5489 | |
421 | K | A | -2.3078 | |
422 | E | A | -2.7767 | |
423 | V | A | 0.0000 | |
424 | F | A | 0.0000 | |
425 | E | A | -2.6560 | |
426 | W | A | -1.6650 | |
427 | E | A | 0.0000 | |
428 | M | A | -1.3823 | |
429 | N | A | -1.9088 | |
430 | N | A | -1.3746 | |
431 | P | A | -1.1125 | |
432 | K | A | -1.6223 | |
433 | I | A | 0.0000 | |
434 | I | A | 0.0000 | |
435 | I | A | -0.1321 | |
436 | A | A | 0.0000 | |
437 | A | A | 0.0000 | |
438 | E | A | 0.0000 | |
439 | T | A | 0.0000 | |
440 | I | A | 0.0000 | |
441 | V | A | 0.0000 | mutated: VV441A |
442 | R | A | -0.2495 | |
443 | F | A | 0.0000 | |
444 | L | A | -0.2898 | |
445 | D | A | -0.4318 | |
446 | D | A | 0.0000 | |
447 | I | A | -0.4500 | |
448 | A | A | 0.0000 | |
449 | G | A | -0.6188 | |
450 | H | A | -1.2006 | |
451 | R | A | -1.4919 | |
452 | F | A | -1.1180 | |
453 | E | A | -2.1547 | |
454 | Q | A | -2.9952 | |
455 | K | A | -3.0132 | |
456 | R | A | -2.7996 | |
457 | E | A | -3.0076 | |
458 | H | A | -2.0041 | |
459 | S | A | 0.0000 | |
460 | P | A | -0.3752 | |
461 | S | A | 0.0000 | |
462 | A | A | 0.0000 | |
463 | I | A | 0.0000 | |
464 | E | A | -1.4846 | |
465 | C | A | 0.0000 | |
466 | Y | A | -1.5527 | |
467 | K | A | -2.5266 | |
468 | N | A | -2.2402 | |
469 | Q | A | -1.9424 | |
470 | H | A | -1.7815 | |
471 | G | A | -1.6462 | |
472 | V | A | -1.5910 | |
473 | S | A | -2.1522 | |
474 | E | A | -2.7736 | |
475 | E | A | -3.4039 | |
476 | E | A | -3.3018 | |
477 | A | A | 0.0000 | |
478 | V | A | -1.6582 | |
479 | K | A | -2.3840 | |
480 | A | A | -1.1242 | |
481 | L | A | 0.0000 | |
482 | S | A | -0.3057 | |
483 | L | A | 0.5173 | |
484 | E | A | -0.4884 | |
485 | V | A | 0.0000 | |
486 | A | A | -0.0818 | |
487 | N | A | -0.7413 | |
488 | S | A | 0.0000 | |
489 | W | A | 0.0000 | |
490 | K | A | -0.9994 | |
491 | D | A | -1.0295 | |
492 | I | A | 0.0000 | |
493 | N | A | 0.0000 | |
494 | E | A | -1.1119 | |
495 | E | A | -0.6967 | |
496 | L | A | 0.0000 | |
497 | L | A | 0.0000 | |
498 | L | A | -0.2938 | |
499 | N | A | -1.2147 | |
500 | P | A | -0.7106 | |
501 | M | A | -0.1155 | |
502 | A | A | -0.1587 | |
503 | I | A | 0.0000 | |
504 | P | A | 0.1141 | |
505 | L | A | 0.2390 | |
506 | P | A | -0.0836 | |
507 | L | A | 0.0000 | |
508 | L | A | 0.0000 | |
509 | Q | A | -0.3394 | |
510 | V | A | 0.0000 | |
511 | I | A | 0.0000 | |
512 | L | A | 0.0000 | |
513 | D | A | 0.0000 | |
514 | L | A | 0.0000 | |
515 | S | A | 0.0000 | |
516 | R | A | 0.0000 | |
517 | S | A | 0.0000 | |
518 | A | A | 0.0000 | |
519 | D | A | -0.4098 | |
520 | F | A | -0.1683 | |
521 | M | A | 0.0000 | |
522 | Y | A | 0.0000 | |
523 | G | A | -1.0723 | |
524 | N | A | -1.4680 | |
525 | A | A | -0.7633 | |
526 | Q | A | -0.8891 | |
527 | D | A | -0.7156 | |
528 | R | A | -0.7888 | |
529 | F | A | 0.0000 | |
530 | T | A | -0.5576 | |
531 | H | A | -0.6642 | |
532 | S | A | 0.0000 | |
533 | T | A | -0.6923 | |
534 | M | A | -0.6594 | |
535 | M | A | 0.0000 | |
536 | K | A | -1.8223 | |
537 | D | A | -2.6218 | |
538 | Q | A | -1.6071 | |
539 | V | A | 0.0000 | |
540 | D | A | -2.1020 | |
541 | L | A | -1.1631 | |
542 | V | A | 0.0000 | |
543 | L | A | 0.0000 | |
544 | K | A | -1.9565 | |
545 | D | A | -2.5290 | |
546 | P | A | -1.6086 | |
547 | V | A | 0.0000 | |
548 | K | A | -2.5492 | |
549 | L | A | -1.7011 | |
550 | D | A | -2.7330 | |
551 | D | A | -2.5839 |