Project name: 1789390364785b8

Status: done

Started: 2025-01-31 20:01:39
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLRLSCAASGGTFSTYSMGWFRQAPGKGLEFVATINWSGSSTYYADSVKGRFTMSRDNFKNTVHLQMNNLRAEDTGVYYCAARDGAVWSRVEGTNYWGQGTLVTVSSGGTLQSPPGGGGSGGGEVQLVESGGGLVQPGGSLRLSCAASGGTFSTYSMGWFRQAPGKGLEFVATINWSGSSTYYADSVKGRFTMSRDNFKNTVHLQMNNLRAEDTGVYYCAARDGAVWSRVEGTNYWGQGTLVTVSSGGTLQSPPGGGGSGGGGSEVQLVESGGGLVQPGNSLRLSCAASGFTFSSFGMSWVRQAPGKGLEWVSSISGSGSDTLYADSVKGRFTISRDNAKTTLYLQMNSLRPEDTAVYYCTIGGSLSRSSQGTLVTVSSGGTLQSPPGGGGSGGGGSEVQLVESGGGLVQPGESLRLSCAVSESIFSRDAVAWHRQAPGKGLELVAVVTIADNAYYADSVKGRFTISRDKAGNTVYLHMNALRAEDTAVYYCNAWSSIGSADYWGQGTLVTVSS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:55)
Show buried residues

Minimal score value
-3.2433
Maximal score value
1.7236
Average score
-0.6554
Total score value
-347.3797

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
mutation
1 E A -2.2278
2 V A -1.2985
3 Q A -1.4896
4 L A 0.0000
5 V A 0.2507
6 E A 0.0000
7 S A -0.4458
8 G A -0.9269
9 G A -0.2403
10 G A 0.1287
11 L A 0.1192
12 V A 0.0000
13 Q A -1.9837
14 P A -2.2387
15 G A -2.0743
16 G A -1.5065
17 S A -1.5472
18 L A -1.1521
19 R A -2.1397
20 L A 0.0000
21 S A -0.6660
22 C A 0.0000
23 A A -0.5021
24 A A -0.8255
25 S A -1.2955
26 G A -1.6000
27 G A -1.1729
28 T A -0.8822
29 F A 0.0000
30 S A -0.4192
31 T A -0.2896
32 Y A -0.4412
33 S A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.8586
38 R A 0.0000
39 Q A -0.3898
40 A A -1.1145
41 P A -1.1544
42 G A -1.4564
43 K A -2.1543
44 G A -0.9772
45 L A 0.5793
46 E A 0.0410
47 F A 0.8999
48 V A 0.0000
49 A A 0.0000
50 T A 0.0000
51 I A 0.0000
52 N A -0.1162
53 W A -0.0454
54 S A -0.3910
55 G A -0.6229
56 S A -0.4073
57 S A 0.0108
58 T A 0.5371
59 Y A 1.0257
60 Y A -0.0940
61 A A -0.8955
62 D A -2.2156
63 S A -1.7343
64 V A 0.0000
65 K A -2.4376
66 G A -1.8727
67 R A -1.5901
68 F A 0.0000
69 T A -0.7083
70 M A 0.0000
71 S A -0.6584
72 R A -0.9116
73 D A -1.1945
74 N A -1.0534
75 F A 0.2877
76 K A -1.5326
77 N A -1.5732
78 T A -0.9579
79 V A 0.0000
80 H A -0.9382
81 L A 0.0000
82 Q A -1.2308
83 M A 0.0000
84 N A -1.9343
85 N A -2.4778
86 L A 0.0000
87 R A -3.2220
88 A A -2.0844
89 E A -2.4768
90 D A 0.0000
91 T A -0.8028
92 G A 0.0000
93 V A 0.6570
94 Y A 0.0000
95 Y A 0.5588
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 R A -1.0923
100 D A -1.0382
101 G A -0.0230
102 A A 0.5272
103 V A 0.8014
104 W A 1.2490
105 S A -0.0279
106 R A -1.2293
107 V A 0.1731
108 E A -1.8727
109 G A -1.5417
110 T A -1.0024
111 N A -0.9960
112 Y A -0.0670
113 W A 0.2111
114 G A -0.2033
115 Q A -0.9869
116 G A 0.0000
117 T A 0.2238
118 L A 0.9736
119 V A 0.0000
120 T A -0.2675
121 V A 0.0000
122 S A -1.3710
123 S A -1.5256
124 G A -1.3934
125 G A -0.7526
126 T A -0.3558
127 L A 0.6525
128 Q A -0.7553
129 S A -0.6832
130 P A -0.7952
131 P A -1.0078
132 G A -1.0820
133 G A -1.1825
134 G A -1.1604
135 G A -1.1196
136 S A -0.9732
137 G A -1.2654
138 G A -1.5351
139 G A -1.9018
140 E A -2.5475
141 V A -1.1679
142 Q A -1.0191
143 L A 0.0000
144 V A -0.0177
145 E A 0.0000
146 S A -0.3092
147 G A -0.8712
148 G A 0.1130
149 G A 0.5273
150 L A 1.1218
151 V A 0.0000
152 Q A -1.7666
153 P A -2.1525
154 G A -2.0884
155 G A -1.3957
156 S A -1.3979
157 L A -1.0034
158 R A -2.1287
159 L A 0.0000
160 S A -0.7346
161 C A 0.0000
162 A A -0.5365
163 A A -0.7006
164 S A -1.1039
165 G A -1.4837
166 G A -1.1511
167 T A -0.9239
168 F A 0.0000
169 S A -0.4165
170 T A -0.2929
171 Y A -0.7060
172 S A 0.0000
173 M A 0.0000
174 G A 0.0000
175 W A 0.0000
176 F A 0.7583
177 R A 0.0000
178 Q A -0.5649
179 A A -1.1657
180 P A -1.0444
181 G A -1.5400
182 K A -2.4588
183 G A -1.4231
184 L A -0.2598
185 E A -0.2808
186 F A 0.5441
187 V A 0.0000
188 A A 0.0000
189 T A 0.0000
190 I A 0.0000
191 N A -0.1931
192 W A -0.1766
193 S A -0.4331
194 G A -0.6451
195 S A -0.4078
196 S A 0.0101
197 T A 0.4626
198 Y A 1.0309
199 Y A -0.0856
200 A A -0.8508
201 D A -2.2262
202 S A -1.7517
203 V A 0.0000
204 K A -2.4334
205 G A -1.8565
206 R A -1.5408
207 F A 0.0000
208 T A -0.6785
209 M A 0.0000
210 S A -0.6498
211 R A -0.9476
212 D A -1.2169
213 N A -1.1958
214 F A 0.2290
215 K A -1.5488
216 N A -1.5048
217 T A -1.0254
218 V A 0.0000
219 H A -0.9230
220 L A 0.0000
221 Q A -1.1856
222 M A 0.0000
223 N A -1.8794
224 N A -2.4610
225 L A 0.0000
226 R A -3.2433
227 A A -2.1029
228 E A -2.5162
229 D A 0.0000
230 T A -0.5823
231 G A 0.0000
232 V A 0.8073
233 Y A 0.0000
234 Y A 0.4235
235 C A 0.0000
236 A A 0.0000
237 A A 0.0000
238 R A -1.8336
239 D A -1.5019
240 G A -0.3408
241 A A 0.1499
242 V A 0.6302
243 W A 1.1806
244 S A -0.0693
245 R A -1.2480
246 V A 0.1934
247 E A -1.9520
248 G A -1.9752
249 T A -1.3093
250 N A -1.7039
251 Y A -0.4969
252 W A -0.4028
253 G A -0.4714
254 Q A -1.3931
255 G A 0.0000
256 T A 0.4989
257 L A 1.7236
258 V A 0.0000
259 T A 0.2675
260 V A 0.0000
261 S A -1.3071
262 S A -1.2049
263 G A -1.3823
264 G A -0.7296
265 T A -0.3562
266 L A 0.4916
267 Q A -0.7398
268 S A -0.5955
269 P A -0.7874
270 P A -0.9867
271 G A -1.0392
272 G A -1.1525
273 G A -1.1332
274 G A -1.0767
275 S A -0.9495
276 G A -1.0837
277 G A -1.1734
278 G A -1.3008
279 G A -1.3606
280 S A -1.3985
281 E A -2.1705
282 V A -0.8812
283 Q A -1.2469
284 L A 0.0000
285 V A 0.2793
286 E A 0.0000
287 S A -0.4899
288 G A -0.9087
289 G A -0.2223
290 G A 0.3795
291 L A 1.1429
292 V A 0.0000
293 Q A -1.9342
294 P A -2.2657
295 G A -2.1339
296 N A -2.2873
297 S A -1.8781
298 L A -1.3101
299 R A -2.1266
300 L A 0.0000
301 S A -0.5056
302 C A 0.0000
303 A A -0.2272
304 A A 0.0000
305 S A -0.3886
306 G A -0.7289
307 F A -0.0220
308 T A 0.1123
309 F A 0.0000
310 S A -0.3869
311 S A 0.0559
312 F A 0.6676
313 G A -0.2196
314 M A 0.0000
315 S A 0.0000
316 W A 0.0000
317 V A 0.0000
318 R A 0.0000
319 Q A -0.6617
320 A A -1.1900
321 P A -1.1328
322 G A -1.4830
323 K A -2.2277
324 G A -1.1918
325 L A 0.0100
326 E A -0.4623
327 W A 0.0670
328 V A 0.0000
329 S A 0.0000
330 S A 0.1413
331 I A 0.0000
332 S A -0.6484
333 G A -0.5193
334 S A -0.9184
335 G A -1.2167
336 S A -1.2968
337 D A -1.7181
338 T A -0.2231
339 L A 0.8135
340 Y A -0.0418
341 A A -0.9849
342 D A -2.2381
343 S A -1.7824
344 V A 0.0000
345 K A -2.4065
346 G A -1.7867
347 R A -1.3853
348 F A 0.0000
349 T A -0.6732
350 I A 0.0000
351 S A -0.4744
352 R A -1.1621
353 D A -1.9180
354 N A -1.9142
355 A A -1.4722
356 K A -2.2217
357 T A -1.4425
358 T A 0.0000
359 L A 0.0000
360 Y A -0.6251
361 L A 0.0000
362 Q A -1.2459
363 M A 0.0000
364 N A -1.8267
365 S A -1.7873
366 L A 0.0000
367 R A -3.1879
368 P A -2.2818
369 E A -2.5664
370 D A 0.0000
371 T A -0.7617
372 A A 0.0000
373 V A 0.4112
374 Y A 0.0000
375 Y A 0.3301
376 C A 0.0000
377 T A 0.0000
378 I A 0.2792
379 G A -0.3455
380 G A -0.3866
381 S A -0.3575
382 L A 0.0855
383 S A -0.8386
384 R A -2.1754
385 S A -1.5068
386 S A -0.9653
387 Q A -1.1630
388 G A 0.0000
389 T A 0.0846
390 L A 0.6427
391 V A 0.0000
392 T A -0.1256
393 V A 0.0000
394 S A -1.2695
395 S A -1.1676
396 G A -0.9174
397 G A -0.5987
398 T A -0.0856
399 L A 0.5638
400 Q A -0.7484
401 S A -0.6298
402 P A -0.7518
403 P A -0.9334
404 G A -1.0293
405 G A -1.1337
406 G A -1.0924
407 G A -1.0263
408 S A -0.8846
409 G A -1.0184
410 G A -1.1021
411 G A -1.3134
412 G A -1.2865
413 S A -1.6175
414 E A -1.9542
415 V A -0.6351
416 Q A -1.0936
417 L A 0.0000
418 V A 0.4832
419 E A 0.0572
420 S A -0.2973
421 G A -0.5975
422 G A -0.1472
423 G A 0.5004
424 L A 1.3391
425 V A 0.0000
426 Q A -1.4829
427 P A -2.0864
428 G A -1.9271
429 E A -2.3358
430 S A -1.9156
431 L A -1.2307
432 R A -1.8246
433 L A 0.0000
434 S A -0.4153
435 C A 0.0000
436 A A -0.2685
437 V A 0.0000
438 S A -1.2341
439 E A -2.3799
440 S A -1.2170
441 I A 0.0000
442 F A 0.0000
443 S A -1.0928
444 R A -0.6202
445 D A 0.0000
446 A A 0.0000
447 V A 0.0000
448 A A 0.0000
449 W A 0.0000
450 H A 0.3144
451 R A 0.0000
452 Q A -0.8098
453 A A -1.2761
454 P A -1.3272
455 G A -1.6768
456 K A -2.4077
457 G A -1.5955
458 L A -0.4147
459 E A -0.3333
460 L A 0.6422
461 V A 0.0000
462 A A 0.0000
463 V A 0.0000
464 V A 0.0000
465 T A -0.1378
466 I A 0.3819
467 A A -0.3589
468 D A -1.7345
469 N A -1.2991
470 A A -0.2287
471 Y A 0.5746
472 Y A -0.0726
473 A A -0.8751
474 D A -2.2101
475 S A -1.6204
476 V A 0.0000
477 K A -2.4397
478 G A -1.7420
479 R A -1.3337
480 F A 0.0000
481 T A -0.6591
482 I A 0.0000
483 S A -0.9686
484 R A -1.2700
485 D A -1.8223
486 K A -2.2626
487 A A -1.1972
488 G A -1.3513
489 N A -1.6808
490 T A -0.9202
491 V A 0.0000
492 Y A -0.4882
493 L A 0.0000
494 H A -1.1192
495 M A 0.0000
496 N A -1.8804
497 A A -1.6165
498 L A 0.0000
499 R A -2.5576
500 A A -1.7791
501 E A -2.3130
502 D A 0.0000
503 T A -0.5948
504 A A 0.0000
505 V A 0.2846
506 Y A 0.0000
507 Y A 0.1949
508 C A 0.0000
509 N A 0.0000
510 A A 0.0000
511 W A -0.0139
512 S A 0.1683
513 S A 0.6068
514 I A 1.6395
515 G A 0.2364
516 S A -0.0179
517 A A -0.3386
518 D A -1.3229
519 Y A -0.2192
520 W A 0.0238
521 G A -0.4098
522 Q A -1.4770
523 G A -0.4375
524 T A 0.0000
525 L A 0.6324
526 V A 0.0000
527 T A 0.1782
528 V A 0.0000
529 S A -0.6030
530 S A -0.4114
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018