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) | 1.58489 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 (00:00:00) [INFO] FoldX: Building mutant model (00:01:11) [INFO] FoldX: Starting FoldX energy minimalization (00:01:46) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:03:05) [INFO] Main: Simulation completed successfully. (00:03:08) |
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 | D | A | -2.3812 | |
2 | I | A | -2.0601 | |
3 | K | A | -2.6070 | mutated: VK3A |
4 | M | A | 0.0000 | |
5 | T | A | -1.4703 | |
6 | Q | A | -1.0062 | |
7 | S | A | -0.7397 | |
8 | P | A | -0.3963 | |
9 | A | A | -0.3670 | |
10 | T | A | -0.5960 | |
11 | L | A | -0.8846 | |
12 | S | A | -1.8486 | |
13 | L | A | -2.1096 | |
14 | S | A | -2.4147 | |
15 | P | A | -2.3084 | |
16 | G | A | -1.7796 | |
17 | E | A | -2.5191 | |
18 | R | A | -2.7631 | |
19 | A | A | 0.0000 | |
20 | T | A | -0.6784 | |
21 | L | A | 0.0000 | |
22 | S | A | -1.0465 | |
23 | C | A | 0.0000 | |
24 | R | A | -2.9619 | |
25 | A | A | 0.0000 | |
26 | S | A | -2.0773 | |
27 | Q | A | -2.2743 | |
28 | S | A | -1.2898 | |
29 | V | A | 0.0000 | |
30 | S | A | -0.5464 | |
31 | S | A | -0.2804 | |
32 | Y | A | 0.7065 | |
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 | -1.0614 | |
40 | P | A | -0.6799 | |
41 | G | A | -0.9430 | |
42 | Q | A | -0.9145 | |
43 | A | A | -0.7520 | |
44 | P | A | 0.0000 | |
45 | R | A | -1.1627 | |
46 | L | A | -0.5649 | |
47 | L | A | 0.0000 | |
48 | I | A | 0.0000 | |
49 | Y | A | -0.3762 | |
50 | D | A | -0.6422 | |
51 | A | A | 0.0000 | |
52 | S | A | -1.1465 | |
53 | N | A | -1.7524 | |
54 | R | A | -1.6327 | |
55 | A | A | -0.9960 | |
56 | T | A | -0.7124 | |
57 | G | A | -0.9202 | |
58 | I | A | -0.6598 | |
59 | P | A | -0.5900 | |
60 | A | A | -0.4132 | |
61 | R | A | -0.7692 | |
62 | F | A | 0.0000 | |
63 | S | A | -0.7237 | |
64 | G | A | 0.0000 | |
65 | S | A | -0.9635 | |
66 | G | A | -1.4148 | |
67 | S | A | -1.1913 | |
68 | G | A | -1.2323 | |
69 | T | A | -2.0349 | |
70 | D | A | -2.8662 | |
71 | F | A | 0.0000 | |
72 | T | A | -0.9324 | |
73 | L | A | 0.0000 | |
74 | T | A | -0.6304 | |
75 | I | A | 0.0000 | |
76 | S | A | -1.5138 | |
77 | S | A | -1.7174 | |
78 | L | A | 0.0000 | |
79 | E | A | -2.1212 | |
80 | P | A | -1.8968 | |
81 | E | A | -2.0369 | |
82 | D | A | 0.0000 | |
83 | F | A | -1.4204 | |
84 | A | A | 0.0000 | |
85 | V | A | -0.4016 | |
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 | 0.2382 | |
92 | G | A | -0.0513 | |
93 | S | A | -0.3794 | |
94 | T | A | -0.5687 | |
95 | P | A | -0.6347 | |
96 | L | A | 0.0000 | |
97 | T | A | -0.7518 | |
98 | F | A | -0.3339 | |
99 | G | A | 0.0000 | |
100 | G | A | -1.2013 | |
101 | G | A | -0.7311 | |
102 | T | A | 0.0000 | |
103 | K | A | -1.1316 | |
104 | A | A | 0.0000 | |
105 | E | A | -2.7074 | |
106 | R | A | -3.3366 | mutated: IR106A |
107 | K | A | -2.8883 | |
108 | A | A | -1.7428 | |
109 | G | A | -1.4912 | |
110 | G | A | -1.5727 | |
111 | G | A | -1.0816 | |
112 | G | A | -1.2314 | |
113 | S | A | -0.9971 | |
114 | G | A | -1.2889 | |
115 | G | A | -1.4095 | |
116 | G | A | -1.5468 | |
117 | G | A | -1.2916 | |
118 | S | A | -1.0875 | |
119 | G | A | -1.1949 | |
120 | G | A | -1.3039 | |
121 | G | A | -1.2195 | |
122 | G | A | -1.2061 | |
123 | S | A | -1.2395 | |
124 | Q | A | -1.5801 | |
125 | V | A | -1.2621 | |
126 | Q | A | -1.8567 | |
127 | L | A | 0.0000 | |
128 | Q | A | -1.6957 | |
129 | E | A | 0.0000 | |
130 | S | A | -0.9899 | |
131 | G | A | -0.7409 | |
132 | P | A | -0.3698 | |
133 | G | A | -0.4834 | |
134 | L | A | 0.4524 | |
135 | V | A | 0.0000 | |
136 | K | A | -1.0741 | |
137 | P | A | -0.9188 | |
138 | S | A | -1.1173 | |
139 | Q | A | -1.4180 | |
140 | T | A | -1.3067 | |
141 | L | A | 0.0000 | |
142 | S | A | -0.9129 | |
143 | L | A | 0.0000 | |
144 | T | A | -0.6875 | |
145 | C | A | 0.0000 | |
146 | T | A | -1.2371 | |
147 | V | A | 0.0000 | |
148 | S | A | -1.2616 | |
149 | G | A | -1.2020 | |
150 | G | A | -0.9240 | |
151 | S | A | -0.6927 | |
152 | I | A | 0.0000 | |
153 | S | A | -0.3365 | |
154 | S | A | -0.3468 | |
155 | G | A | -0.1080 | |
156 | D | A | -0.2416 | |
157 | Y | A | 0.3882 | |
158 | Y | A | 0.4611 | |
159 | W | A | 0.0000 | |
160 | S | A | 0.0000 | |
161 | W | A | 0.0000 | |
162 | I | A | 0.0000 | |
163 | R | A | -1.0243 | |
164 | Q | A | -1.3588 | |
165 | P | A | -1.3463 | |
166 | P | A | -1.2167 | |
167 | G | A | -1.4347 | |
168 | K | A | -2.2665 | |
169 | G | A | -1.3339 | |
170 | L | A | 0.0000 | |
171 | E | A | -0.8535 | |
172 | W | A | 0.0000 | |
173 | I | A | 0.0000 | |
174 | G | A | 0.0000 | |
175 | Y | A | 0.1132 | |
176 | I | A | 0.0000 | |
177 | Y | A | 0.3584 | |
178 | Y | A | 0.2666 | |
179 | S | A | -0.1247 | |
180 | G | A | -0.2281 | |
181 | S | A | -0.2319 | |
182 | T | A | -0.1754 | |
183 | D | A | -0.6255 | |
184 | Y | A | -0.7808 | |
185 | N | A | -1.1194 | |
186 | P | A | -1.3212 | |
187 | S | A | -0.9231 | |
188 | L | A | 0.0000 | |
189 | K | A | -2.1205 | |
190 | S | A | -1.3955 | |
191 | R | A | -1.5181 | |
192 | V | A | 0.0000 | |
193 | T | A | -1.0636 | |
194 | M | A | 0.0000 | |
195 | S | A | -0.3772 | |
196 | V | A | -0.3564 | |
197 | D | A | -1.1917 | |
198 | T | A | -1.0506 | |
199 | S | A | -1.3312 | |
200 | K | A | -2.1737 | |
201 | N | A | -1.4532 | |
202 | Q | A | -1.2772 | |
203 | F | A | 0.0000 | |
204 | S | A | -0.5335 | |
205 | L | A | 0.0000 | |
206 | K | A | -1.4870 | |
207 | V | A | 0.0000 | |
208 | N | A | -1.6111 | |
209 | S | A | -1.2895 | |
210 | V | A | 0.0000 | |
211 | T | A | -0.5129 | |
212 | A | A | -0.1452 | |
213 | A | A | 0.0167 | |
214 | D | A | 0.0000 | |
215 | T | A | -0.4135 | |
216 | A | A | 0.0000 | |
217 | K | A | -1.5813 | 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 | -0.2698 | |
223 | V | A | 0.0000 | |
224 | S | A | 0.5000 | |
225 | I | A | 1.2621 | |
226 | F | A | 1.8512 | |
227 | G | A | 0.7311 | |
228 | V | A | 0.7066 | |
229 | G | A | 0.5360 | |
230 | T | A | 0.0000 | |
231 | F | A | 0.0000 | |
232 | D | A | -0.7278 | |
233 | Y | A | -0.6502 | |
234 | W | A | -0.6684 | |
235 | G | A | 0.0000 | |
236 | Q | A | -1.3840 | |
237 | G | A | -1.3083 | |
238 | T | A | -1.6538 | |
239 | E | A | -2.2339 | mutated: LE239A |
240 | V | A | 0.0000 | |
241 | T | A | -0.3221 | |
242 | V | A | 0.0000 | |
243 | S | A | -0.2409 | |
244 | S | A | -0.5709 | |
245 | A | A | -0.4366 | |
246 | A | A | -0.6962 | |
247 | G | A | -0.9265 | |
248 | G | A | -1.1396 | |
249 | G | A | -1.1920 | |
250 | G | A | -1.1996 | |
251 | S | A | -1.2491 | |
252 | D | A | -1.5920 | |
253 | V | A | -0.6171 | |
254 | Q | A | -0.5686 | |
255 | L | A | 0.0000 | |
256 | V | A | -0.0272 | |
257 | Q | A | 0.0000 | |
258 | S | A | -0.9363 | |
259 | G | A | -1.1735 | |
260 | A | A | -0.9339 | |
261 | E | A | -1.0647 | |
262 | V | A | -0.5246 | |
263 | K | A | -1.4160 | |
264 | K | A | -2.2594 | |
265 | P | A | -1.9903 | |
266 | G | A | -1.4329 | |
267 | A | A | -1.1366 | |
268 | S | A | -1.3655 | |
269 | V | A | 0.0000 | |
270 | K | A | -2.1659 | |
271 | V | A | 0.0000 | |
272 | S | A | -0.7194 | |
273 | C | A | 0.0000 | |
274 | K | A | -0.9441 | |
275 | A | A | 0.0000 | |
276 | S | A | -0.6596 | |
277 | G | A | -0.9641 | |
278 | Y | A | -0.5569 | |
279 | T | A | -0.7276 | |
280 | F | A | 0.0000 | |
281 | T | A | -1.6124 | |
282 | R | A | -2.2121 | |
283 | Y | A | -1.0138 | |
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 | -0.7293 | |
290 | Q | A | -0.9415 | |
291 | A | A | -1.2123 | |
292 | P | A | -1.1636 | |
293 | G | A | -1.2167 | |
294 | Q | A | -1.8094 | |
295 | G | A | -1.2083 | |
296 | L | A | 0.0000 | |
297 | E | A | -0.9008 | |
298 | W | A | 0.0000 | |
299 | I | A | 0.0000 | |
300 | G | A | 0.0000 | |
301 | Y | A | 0.0770 | |
302 | I | A | 0.0000 | |
303 | N | A | -0.8806 | |
304 | P | A | 0.0000 | |
305 | S | A | -1.6297 | |
306 | R | A | -1.9608 | |
307 | G | A | -0.8164 | |
308 | Y | A | 0.2433 | |
309 | T | A | -0.1190 | |
310 | N | A | -1.0865 | |
311 | Y | A | -1.3715 | |
312 | A | A | 0.0000 | |
313 | D | A | -2.7183 | |
314 | S | A | -1.8264 | |
315 | V | A | 0.0000 | |
316 | K | A | -2.7956 | |
317 | G | A | -1.7829 | |
318 | R | A | -1.4290 | |
319 | F | A | 0.0000 | |
320 | T | A | -1.0219 | |
321 | I | A | 0.0000 | |
322 | T | A | -0.3964 | |
323 | T | A | -1.0410 | |
324 | D | A | -1.6894 | |
325 | K | A | -2.1957 | |
326 | S | A | -1.2874 | |
327 | T | A | -1.1143 | |
328 | S | A | -1.2752 | |
329 | T | A | 0.0000 | |
330 | A | A | 0.0000 | |
331 | Y | A | -0.7166 | |
332 | M | A | 0.0000 | |
333 | E | A | -1.6680 | |
334 | L | A | 0.0000 | |
335 | S | A | -1.1619 | |
336 | S | A | -1.1425 | |
337 | L | A | 0.0000 | |
338 | R | A | -2.5031 | |
339 | S | A | -2.1073 | |
340 | E | A | -2.3866 | |
341 | D | A | 0.0000 | |
342 | T | A | -1.0827 | |
343 | A | A | 0.0000 | |
344 | T | A | -0.4980 | |
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 | -0.4925 | |
351 | Y | A | -1.4453 | |
352 | D | A | -2.7363 | |
353 | D | A | -2.6234 | |
354 | H | A | -1.4231 | |
355 | Y | A | -0.3478 | |
356 | C | A | 0.0000 | |
357 | L | A | 0.0000 | |
358 | D | A | -0.1113 | |
359 | Y | A | 0.1149 | |
360 | W | A | -0.1732 | |
361 | G | A | 0.0000 | |
362 | Q | A | -1.3898 | |
363 | G | A | -0.8473 | |
364 | T | A | 0.0000 | |
365 | T | A | -0.5434 | |
366 | V | A | 0.0000 | |
367 | T | A | -0.9508 | |
368 | V | A | 0.0000 | |
369 | S | A | -1.2803 | |
370 | S | A | -1.4575 | |
371 | A | A | -1.0777 | |
372 | A | A | -0.8821 | |
373 | G | A | -0.9565 | |
374 | G | A | -1.0827 | |
375 | G | A | -1.1474 | |
376 | G | A | -1.1785 | |
377 | S | A | -1.0383 | |
378 | G | A | -1.1694 | |
379 | G | A | -1.1961 | |
380 | G | A | -1.1853 | |
381 | G | A | -1.2523 | |
382 | S | A | -1.0976 | |
383 | G | A | -1.5342 | |
384 | G | A | -1.2647 | |
385 | G | A | -1.2095 | |
386 | G | A | -1.3609 | |
387 | S | A | -1.2134 | |
388 | D | A | -1.7657 | |
389 | I | A | 0.0000 | |
390 | K | A | -2.4422 | mutated: VK390A |
391 | L | A | 0.0000 | |
392 | T | A | -1.4592 | |
393 | Q | A | -0.8487 | |
394 | S | A | -0.7599 | |
395 | P | A | -0.4299 | |
396 | A | A | -0.4863 | |
397 | T | A | -0.6624 | |
398 | L | A | -0.5207 | |
399 | S | A | -0.8347 | |
400 | L | A | -1.3319 | |
401 | S | A | -1.6692 | |
402 | P | A | -1.9788 | |
403 | G | A | -2.1149 | |
404 | E | A | -2.7702 | |
405 | R | A | -3.2423 | |
406 | A | A | 0.0000 | |
407 | T | A | -0.8330 | |
408 | L | A | 0.0000 | |
409 | S | A | -0.9143 | |
410 | C | A | 0.0000 | |
411 | R | A | -2.9527 | |
412 | A | A | 0.0000 | |
413 | S | A | -2.0486 | |
414 | Q | A | -2.2008 | |
415 | S | A | -1.3645 | |
416 | V | A | 0.0000 | |
417 | S | A | -0.1862 | |
418 | Y | A | 0.1797 | |
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 | -1.6818 | |
426 | P | A | -1.1524 | |
427 | G | A | -1.6711 | |
428 | K | A | -2.5412 | |
429 | A | A | -1.6663 | |
430 | P | A | 0.0000 | |
431 | K | A | -1.9847 | |
432 | R | A | -0.8679 | |
433 | W | A | 0.0000 | |
434 | I | A | 0.0000 | |
435 | Y | A | -0.2821 | |
436 | D | A | -0.3839 | |
437 | T | A | -0.4410 | |
438 | S | A | -0.8707 | |
439 | K | A | -1.3427 | |
440 | V | A | -0.1482 | |
441 | A | A | 0.0000 | |
442 | S | A | -0.4138 | |
443 | G | A | -0.3742 | |
444 | V | A | -0.2098 | |
445 | P | A | -0.1131 | |
446 | A | A | -0.2178 | |
447 | R | A | -1.0882 | |
448 | F | A | 0.0000 | |
449 | S | A | -0.6266 | |
450 | G | A | 0.0000 | |
451 | S | A | -0.8409 | |
452 | G | A | -1.0477 | |
453 | S | A | -1.0119 | |
454 | G | A | -1.2626 | |
455 | T | A | -1.8497 | |
456 | D | A | -2.2762 | |
457 | Y | A | 0.0000 | |
458 | S | A | -0.8103 | |
459 | L | A | 0.0000 | |
460 | T | A | -0.9212 | |
461 | I | A | 0.0000 | |
462 | N | A | -2.6482 | |
463 | S | A | -2.4031 | |
464 | L | A | 0.0000 | |
465 | E | A | -2.5353 | |
466 | A | A | -1.6958 | |
467 | E | A | -2.2708 | |
468 | D | A | 0.0000 | |
469 | A | A | -1.2116 | |
470 | A | A | 0.0000 | |
471 | T | A | -0.8423 | |
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 | -0.0019 | |
478 | S | A | -0.3395 | |
479 | S | A | -0.9795 | |
480 | N | A | -1.5974 | |
481 | P | A | -1.3534 | |
482 | L | A | 0.0000 | |
483 | T | A | -0.8050 | |
484 | F | A | -0.3953 | |
485 | G | A | 0.0000 | |
486 | G | A | -1.1552 | |
487 | G | A | -0.8100 | |
488 | T | A | 0.0000 | |
489 | K | A | -1.5408 | |
490 | V | A | 0.0000 | |
491 | E | A | -1.6561 | |
492 | I | A | -1.3196 | |
493 | K | A | -1.7836 | |
494 | A | A | -1.1839 | |
495 | G | A | -1.3755 | |
496 | S | A | -1.5994 | |
497 | H | A | -2.1716 | |
498 | H | A | -2.5416 | |
499 | H | A | -2.7523 | |
500 | H | A | -2.6932 | |
501 | H | A | -2.4033 | |
502 | H | A | -1.8872 |