Chain sequence(s) |
A: DIVMTQSPATLSLSPGERATLSCRASQSVSSYLAWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYGSTPLTFGGGTKAEIKAGGGGSGGGGSGGGGSQVQLQESGPGLVKPSQTLSLTCTVSGGSISSGDYYWSWIRQPPGKGLEWIGYIYYSGSTDYNPSLKSRVTMSVDTSKNQFSLKVNSVTAADTAVYYCARVSIFGVGTFDYWGQGTLVTVSSAAGGGGSDVQLVQSGAEVKKPGASVKVSCKASGYTFTRYTMHWVRQAPGQGLEWIGYINPSRGYTNYADSVKGRFTITTDKSTSTAYMELSSLRSEDTATYYCARYYDDHYCLDYWGQGTTVTVSSAAGGGGSGGGGSGGGGSDIVLTQSPATLSLSPGERATLSCRASQSVSYMNWYQQKPGKAPKRWIYDTSKVASGVPARFSGSGSGTDYSLTINSLEAEDAATYYCQQWSSNPLTFGGGTKVEIKAGSHHHHHH
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | IR106A,VK3A,VK390A,VK217A,LE239A |
Energy difference between WT (input) and mutated protein (by FoldX) | 1.53037 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 (00:01:28) [INFO] FoldX: Starting FoldX energy minimalization (00:02:02) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:26) [INFO] Main: Simulation completed successfully. (00:03:29) |
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 | D | A | -2.3969 | |
2 | I | A | -2.0967 | |
3 | K | A | -2.6751 | mutated: VK3A |
4 | M | A | 0.0000 | |
5 | T | A | -1.4877 | |
6 | Q | A | -1.0650 | |
7 | S | A | -0.7945 | |
8 | P | A | -0.4444 | |
9 | A | A | -0.4011 | |
10 | T | A | -0.6651 | |
11 | L | A | -0.9545 | |
12 | S | A | -1.9129 | |
13 | L | A | -2.1297 | |
14 | S | A | -2.4172 | |
15 | P | A | -2.3309 | |
16 | G | A | -1.7427 | |
17 | E | A | -2.4470 | |
18 | R | A | -2.6909 | |
19 | A | A | 0.0000 | |
20 | T | A | -0.7034 | |
21 | L | A | 0.0000 | |
22 | S | A | -0.9782 | |
23 | C | A | 0.0000 | |
24 | R | A | -2.9240 | |
25 | A | A | 0.0000 | |
26 | S | A | -2.1294 | |
27 | Q | A | -2.2691 | |
28 | S | A | -1.2329 | |
29 | V | A | 0.0000 | |
30 | S | A | -0.4826 | |
31 | S | A | -0.2176 | |
32 | Y | A | 0.7111 | |
33 | L | A | 0.0000 | |
34 | A | A | 0.0000 | |
35 | W | A | 0.0000 | |
36 | Y | A | 0.0000 | |
37 | Q | A | 0.0000 | |
38 | Q | A | 0.0000 | |
39 | K | A | -1.0229 | |
40 | P | A | -0.5845 | |
41 | G | A | -0.7106 | |
42 | Q | A | -0.7477 | |
43 | A | A | -0.6641 | |
44 | P | A | 0.0000 | |
45 | R | A | -1.0931 | |
46 | L | A | -0.5307 | |
47 | L | A | 0.0000 | |
48 | I | A | 0.0000 | |
49 | Y | A | -0.3946 | |
50 | D | A | -0.6380 | |
51 | A | A | 0.0000 | |
52 | S | A | -1.1861 | |
53 | N | A | -1.8087 | |
54 | R | A | -1.6050 | |
55 | A | A | -0.9761 | |
56 | T | A | -0.7023 | |
57 | G | A | -0.9043 | |
58 | I | A | -0.6169 | |
59 | P | A | -0.5625 | |
60 | A | A | -0.3570 | |
61 | R | A | -0.6680 | |
62 | F | A | 0.0000 | |
63 | S | A | -0.7180 | |
64 | G | A | -0.8249 | |
65 | S | A | -0.8874 | |
66 | G | A | -1.2012 | |
67 | S | A | -0.9939 | |
68 | G | A | -1.0729 | |
69 | T | A | -1.7720 | |
70 | D | A | -2.2249 | |
71 | F | A | 0.0000 | |
72 | T | A | -0.8324 | |
73 | L | A | 0.0000 | |
74 | T | A | -0.6149 | |
75 | I | A | 0.0000 | |
76 | S | A | -1.3540 | |
77 | S | A | -1.6228 | |
78 | L | A | 0.0000 | |
79 | E | A | -2.2033 | |
80 | P | A | -2.0642 | |
81 | E | A | -2.3018 | |
82 | D | A | 0.0000 | |
83 | F | A | -1.5783 | |
84 | A | A | 0.0000 | |
85 | V | A | -0.4599 | |
86 | Y | A | 0.0000 | |
87 | Y | A | 0.0000 | |
88 | C | A | 0.0000 | |
89 | H | A | 0.0000 | |
90 | Q | A | 0.0000 | |
91 | Y | A | 0.2720 | |
92 | G | A | -0.0446 | |
93 | S | A | -0.3673 | |
94 | T | A | -0.5693 | |
95 | P | A | -0.6404 | |
96 | L | A | 0.0000 | |
97 | T | A | -0.7699 | |
98 | F | A | -0.3502 | |
99 | G | A | 0.0000 | |
100 | G | A | -1.2220 | |
101 | G | A | -0.7632 | |
102 | T | A | 0.0000 | |
103 | K | A | -1.2866 | |
104 | A | A | 0.0000 | |
105 | E | A | -2.8435 | |
106 | R | A | -3.3964 | mutated: IR106A |
107 | K | A | -2.9241 | |
108 | A | A | -1.7612 | |
109 | G | A | -1.4914 | |
110 | G | A | -1.5656 | |
111 | G | A | -1.0649 | |
112 | G | A | -1.2022 | |
113 | S | A | -0.9859 | |
114 | G | A | -1.3121 | |
115 | G | A | -1.4548 | |
116 | G | A | -1.6077 | |
117 | G | A | -1.3170 | |
118 | S | A | -1.0836 | |
119 | G | A | -1.1940 | |
120 | G | A | -1.3064 | |
121 | G | A | -1.2223 | |
122 | G | A | -1.2126 | |
123 | S | A | -1.2473 | |
124 | Q | A | -1.5972 | |
125 | V | A | -1.2764 | |
126 | Q | A | -1.8602 | |
127 | L | A | 0.0000 | |
128 | Q | A | -1.6885 | |
129 | E | A | 0.0000 | |
130 | S | A | -1.0134 | |
131 | G | A | -0.8054 | |
132 | P | A | -0.5048 | |
133 | G | A | -0.6487 | |
134 | L | A | 0.2015 | |
135 | V | A | 0.0000 | |
136 | K | A | -1.0967 | |
137 | P | A | -0.9604 | |
138 | S | A | -1.1617 | |
139 | Q | A | -1.4588 | |
140 | T | A | -1.4792 | |
141 | L | A | 0.0000 | |
142 | S | A | -0.9928 | |
143 | L | A | 0.0000 | |
144 | T | A | -0.6889 | |
145 | C | A | 0.0000 | |
146 | T | A | -1.2352 | |
147 | V | A | 0.0000 | |
148 | S | A | -1.2683 | |
149 | G | A | -1.2117 | |
150 | G | A | -0.9296 | |
151 | S | A | -0.6758 | |
152 | I | A | 0.0000 | |
153 | S | A | -0.3030 | |
154 | S | A | -0.2829 | |
155 | G | A | -0.0191 | |
156 | D | A | -0.0873 | |
157 | Y | A | 0.4570 | |
158 | Y | A | 0.4878 | |
159 | W | A | 0.0000 | |
160 | S | A | 0.0000 | |
161 | W | A | 0.0000 | |
162 | I | A | 0.0000 | |
163 | R | A | -0.9892 | |
164 | Q | A | -1.3192 | |
165 | P | A | -1.3302 | |
166 | P | A | -1.2065 | |
167 | G | A | -1.4489 | |
168 | K | A | -2.2846 | |
169 | G | A | -1.3526 | |
170 | L | A | 0.0000 | |
171 | E | A | -0.9111 | |
172 | W | A | 0.0000 | |
173 | I | A | 0.0000 | |
174 | G | A | 0.0000 | |
175 | Y | A | 0.0995 | |
176 | I | A | 0.0000 | |
177 | Y | A | 0.3723 | |
178 | Y | A | 0.2898 | |
179 | S | A | -0.1293 | |
180 | G | A | -0.2414 | |
181 | S | A | -0.2473 | |
182 | T | A | -0.2008 | |
183 | D | A | -0.6745 | |
184 | Y | A | -0.8050 | |
185 | N | A | -1.1458 | |
186 | P | A | -1.3300 | |
187 | S | A | -0.9269 | |
188 | L | A | 0.0000 | |
189 | K | A | -2.1386 | |
190 | S | A | -1.4746 | |
191 | R | A | -1.7109 | |
192 | V | A | 0.0000 | |
193 | T | A | -1.1732 | |
194 | M | A | 0.0000 | |
195 | S | A | -0.3744 | |
196 | V | A | -0.3449 | |
197 | D | A | -1.1831 | |
198 | T | A | -1.0481 | |
199 | S | A | -1.3277 | |
200 | K | A | -2.1698 | |
201 | N | A | -1.4475 | |
202 | Q | A | -1.2673 | |
203 | F | A | 0.0000 | |
204 | S | A | -0.5341 | |
205 | L | A | 0.0000 | |
206 | K | A | -1.6551 | |
207 | V | A | 0.0000 | |
208 | N | A | -2.0682 | |
209 | S | A | -1.4670 | |
210 | V | A | 0.0000 | |
211 | T | A | -0.5492 | |
212 | A | A | -0.1436 | |
213 | A | A | 0.0137 | |
214 | D | A | 0.0000 | |
215 | T | A | -0.4384 | |
216 | A | A | 0.0000 | |
217 | K | A | -1.4189 | mutated: VK217A |
218 | Y | A | 0.0000 | |
219 | Y | A | 0.0000 | |
220 | C | A | 0.0000 | |
221 | A | A | 0.0000 | |
222 | R | A | -0.2591 | |
223 | V | A | 0.0000 | |
224 | S | A | 0.5248 | |
225 | I | A | 1.2610 | |
226 | F | A | 1.8698 | |
227 | G | A | 0.7541 | |
228 | V | A | 0.7329 | |
229 | G | A | 0.5354 | |
230 | T | A | 0.0000 | |
231 | F | A | 0.0000 | |
232 | D | A | -0.7266 | |
233 | Y | A | -0.6491 | |
234 | W | A | -0.6543 | |
235 | G | A | 0.0000 | |
236 | Q | A | -1.2416 | |
237 | G | A | -1.2362 | |
238 | T | A | -1.6460 | |
239 | E | A | -2.3345 | mutated: LE239A |
240 | V | A | 0.0000 | |
241 | T | A | -0.4366 | |
242 | V | A | 0.0000 | |
243 | S | A | -0.2795 | |
244 | S | A | -0.5666 | |
245 | A | A | -0.4326 | |
246 | A | A | -0.6934 | |
247 | G | A | -0.9502 | |
248 | G | A | -1.1372 | |
249 | G | A | -1.1901 | |
250 | G | A | -1.1975 | |
251 | S | A | -1.2398 | |
252 | D | A | -1.5709 | |
253 | V | A | -0.5748 | |
254 | Q | A | -0.4643 | |
255 | L | A | 0.0000 | |
256 | V | A | 0.2085 | |
257 | Q | A | 0.0000 | |
258 | S | A | -0.8537 | |
259 | G | A | -1.1098 | |
260 | A | A | -0.7361 | |
261 | E | A | -0.7253 | |
262 | V | A | -0.2530 | |
263 | K | A | -1.4581 | |
264 | K | A | -2.3374 | |
265 | P | A | -2.1130 | |
266 | G | A | -1.4895 | |
267 | A | A | -1.1913 | |
268 | S | A | -1.3355 | |
269 | V | A | 0.0000 | |
270 | K | A | -2.0611 | |
271 | V | A | 0.0000 | |
272 | S | A | -0.7031 | |
273 | C | A | 0.0000 | |
274 | K | A | -0.8283 | |
275 | A | A | 0.0000 | |
276 | S | A | -0.6009 | |
277 | G | A | -0.9503 | |
278 | Y | A | -0.5477 | |
279 | T | A | -0.7265 | |
280 | F | A | 0.0000 | |
281 | T | A | -1.6134 | |
282 | R | A | -2.2135 | |
283 | Y | A | -1.0166 | |
284 | T | A | 0.0000 | |
285 | M | A | 0.0000 | |
286 | H | A | 0.0000 | |
287 | W | A | 0.0000 | |
288 | V | A | 0.0000 | |
289 | R | A | -0.7430 | |
290 | Q | A | -0.9443 | |
291 | A | A | -1.2104 | |
292 | P | A | -1.1621 | |
293 | G | A | -1.2160 | |
294 | Q | A | -1.8096 | |
295 | G | A | -1.2093 | |
296 | L | A | 0.0000 | |
297 | E | A | -0.9034 | |
298 | W | A | 0.0000 | |
299 | I | A | 0.0000 | |
300 | G | A | 0.0000 | |
301 | Y | A | 0.0969 | |
302 | I | A | 0.0000 | |
303 | N | A | -0.8811 | |
304 | P | A | 0.0000 | |
305 | S | A | -1.6324 | |
306 | R | A | -1.9623 | |
307 | G | A | -0.8166 | |
308 | Y | A | 0.2554 | |
309 | T | A | -0.0857 | |
310 | N | A | -1.0148 | |
311 | Y | A | -1.3093 | |
312 | A | A | 0.0000 | |
313 | D | A | -2.7064 | |
314 | S | A | -1.8075 | |
315 | V | A | 0.0000 | |
316 | K | A | -2.7414 | |
317 | G | A | -1.7103 | |
318 | R | A | -1.2543 | |
319 | F | A | 0.0000 | |
320 | T | A | -0.9269 | |
321 | I | A | 0.0000 | |
322 | T | A | -0.3502 | |
323 | T | A | -0.9992 | |
324 | D | A | -1.6081 | |
325 | K | A | -2.1548 | |
326 | S | A | -1.2602 | |
327 | T | A | -1.0902 | |
328 | S | A | -1.2524 | |
329 | T | A | 0.0000 | |
330 | A | A | 0.0000 | |
331 | Y | A | -0.6510 | |
332 | M | A | 0.0000 | |
333 | E | A | -1.4946 | |
334 | L | A | 0.0000 | |
335 | S | A | -1.0698 | |
336 | S | A | -1.1011 | |
337 | L | A | 0.0000 | |
338 | R | A | -2.7266 | |
339 | S | A | -2.2259 | |
340 | E | A | -2.4418 | |
341 | D | A | 0.0000 | |
342 | T | A | -1.0838 | |
343 | A | A | 0.0000 | |
344 | T | A | -0.4217 | |
345 | Y | A | 0.0000 | |
346 | Y | A | 0.0000 | |
347 | C | A | 0.0000 | |
348 | A | A | 0.0000 | |
349 | R | A | 0.0000 | |
350 | Y | A | -0.4406 | |
351 | Y | A | -1.4107 | |
352 | D | A | -2.7318 | |
353 | D | A | -2.6163 | |
354 | H | A | -1.3757 | |
355 | Y | A | -0.3059 | |
356 | C | A | 0.0000 | |
357 | L | A | 0.0000 | |
358 | D | A | 0.0000 | |
359 | Y | A | 0.2017 | |
360 | W | A | -0.1090 | |
361 | G | A | 0.0000 | |
362 | Q | A | -1.4405 | |
363 | G | A | -0.8543 | |
364 | T | A | 0.0000 | |
365 | T | A | -0.4158 | |
366 | V | A | 0.0000 | |
367 | T | A | -0.8490 | |
368 | V | A | 0.0000 | |
369 | S | A | -1.3049 | |
370 | S | A | -1.5152 | |
371 | A | A | -1.0757 | |
372 | A | A | -0.8773 | |
373 | G | A | -0.9627 | |
374 | G | A | -1.1325 | |
375 | G | A | -1.1800 | |
376 | G | A | -1.1805 | |
377 | S | A | -1.0319 | |
378 | G | A | -1.1593 | |
379 | G | A | -1.1949 | |
380 | G | A | -1.1857 | |
381 | G | A | -1.2529 | |
382 | S | A | -1.0979 | |
383 | G | A | -1.5339 | |
384 | G | A | -1.2675 | |
385 | G | A | -1.2128 | |
386 | G | A | -1.3679 | |
387 | S | A | -1.2333 | |
388 | D | A | -1.7896 | |
389 | I | A | 0.0000 | |
390 | K | A | -2.4471 | mutated: VK390A |
391 | L | A | 0.0000 | |
392 | T | A | -1.4577 | |
393 | Q | A | -0.8480 | |
394 | S | A | -0.7629 | |
395 | P | A | -0.4332 | |
396 | A | A | -0.4953 | |
397 | T | A | -0.6745 | |
398 | L | A | -0.5258 | |
399 | S | A | -0.9540 | |
400 | L | A | -1.3154 | |
401 | S | A | -1.6485 | |
402 | P | A | -1.9368 | |
403 | G | A | -2.0956 | |
404 | E | A | -2.7518 | |
405 | R | A | -3.2345 | |
406 | A | A | 0.0000 | |
407 | T | A | -0.8322 | |
408 | L | A | 0.0000 | |
409 | S | A | -0.9107 | |
410 | C | A | 0.0000 | |
411 | R | A | -2.9496 | |
412 | A | A | 0.0000 | |
413 | S | A | -2.0510 | |
414 | Q | A | -2.2032 | |
415 | S | A | -1.3662 | |
416 | V | A | 0.0000 | |
417 | S | A | -0.1821 | |
418 | Y | A | 0.1888 | |
419 | M | A | 0.0000 | |
420 | N | A | 0.0000 | |
421 | W | A | 0.0000 | |
422 | Y | A | 0.0000 | |
423 | Q | A | 0.0000 | |
424 | Q | A | 0.0000 | |
425 | K | A | -1.6597 | |
426 | P | A | -1.1406 | |
427 | G | A | -1.6642 | |
428 | K | A | -2.5564 | |
429 | A | A | -1.6952 | |
430 | P | A | 0.0000 | |
431 | K | A | -1.9475 | |
432 | R | A | -0.8105 | |
433 | W | A | 0.0000 | |
434 | I | A | 0.0000 | |
435 | Y | A | -0.2023 | |
436 | D | A | -0.3329 | |
437 | T | A | -0.4039 | |
438 | S | A | -0.8061 | |
439 | K | A | -1.2236 | |
440 | V | A | -0.0879 | |
441 | A | A | 0.0000 | |
442 | S | A | -0.4007 | |
443 | G | A | -0.3759 | |
444 | V | A | -0.2160 | |
445 | P | A | -0.1290 | |
446 | A | A | -0.2321 | |
447 | R | A | -1.1035 | |
448 | F | A | 0.0000 | |
449 | S | A | -0.6166 | |
450 | G | A | 0.0000 | |
451 | S | A | -0.8372 | |
452 | G | A | -1.0329 | |
453 | S | A | -1.0055 | |
454 | G | A | -1.2580 | |
455 | T | A | -1.8450 | |
456 | D | A | -2.2724 | |
457 | Y | A | 0.0000 | |
458 | S | A | -0.8204 | |
459 | L | A | 0.0000 | |
460 | T | A | -0.9316 | |
461 | I | A | 0.0000 | |
462 | N | A | -2.6502 | |
463 | S | A | -2.3916 | |
464 | L | A | 0.0000 | |
465 | E | A | -2.4050 | |
466 | A | A | -1.6300 | |
467 | E | A | -2.2210 | |
468 | D | A | 0.0000 | |
469 | A | A | -1.1811 | |
470 | A | A | 0.0000 | |
471 | T | A | -0.8516 | |
472 | Y | A | 0.0000 | |
473 | Y | A | 0.0000 | |
474 | C | A | 0.0000 | |
475 | Q | A | 0.0000 | |
476 | Q | A | 0.0000 | |
477 | W | A | 0.0038 | |
478 | S | A | -0.3367 | |
479 | S | A | -0.9844 | |
480 | N | A | -1.5942 | |
481 | P | A | -1.3756 | |
482 | L | A | 0.0000 | |
483 | T | A | -0.8116 | |
484 | F | A | -0.3969 | |
485 | G | A | 0.0000 | |
486 | G | A | -1.1597 | |
487 | G | A | -0.8198 | |
488 | T | A | 0.0000 | |
489 | K | A | -1.5726 | |
490 | V | A | 0.0000 | |
491 | E | A | -1.6369 | |
492 | I | A | -1.2884 | |
493 | K | A | -1.7798 | |
494 | A | A | -1.1814 | |
495 | G | A | -1.3752 | |
496 | S | A | -1.5986 | |
497 | H | A | -2.1716 | |
498 | H | A | -2.5419 | |
499 | H | A | -2.7525 | |
500 | H | A | -2.6935 | |
501 | H | A | -2.4037 | |
502 | H | A | -1.8872 |