Project name: 582HY

Status: done

Started: 2026-04-25 10:27:43
Settings
Chain sequence(s) A: MEYFDYVIVGGGSAGCVLAQRLSAVPSLRVALIEAGADTPPGRVPPEILDSYPLPVFCGDTYIWPELTARATRDSAPRVYEQGRVMGGGSSINVQSANRGLPRDYDAWAANGASGWGWEDVLPYFRKLERDVDFPDGELHGKEGPVPIRRIMPADWPPFCNAFATGLRKNGVAPLHDQNAEFGDGFFPAAFSNLDDRRVSTAIAYLDESTRKRTNLHIHADLRVERIVMEGRVARGVVALARNGERVRFNANEVVLCAGALQSPAMLMHAGIGPKEELNALGIDCVIDLPGVGRNLQDHPSLTFCHFLAPQLRMPLARRRASMMAARLSSGIAGGEASDLYLSSATRAAWHELGNRLGLFFLWCNRPHSRGRVQLVSADPAAPPRVDLNLLDDPRDIARLACGVRMLAKIAAASGLGENARDFFPAAFSARVKALSRVGAGNALLTSLLGRLLDGPAPLRRMLIERFFTRGQRLGDLLADQAALEDFIRANVFGVWHASGTCRMGDASDPAAVTDTAGSVRGAQGLRVVDASLMPRLPSANTNIPTIMMAEKIADAILARRLPGHAGIACRADHRHAFLKVS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:17)
Show buried residues

Minimal score value
-3.5224
Maximal score value
2.0512
Average score
-0.5918
Total score value
-344.4377

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 M A 0.6456
2 E A -0.2794
3 Y A 0.3220
4 F A 0.0000
5 D A -0.9380
6 Y A 0.0000
7 V A 0.0000
8 I A 0.0000
9 V A 0.0000
10 G A -0.2816
11 G A 0.0000
12 G A -0.2382
13 S A -0.1513
14 A A 0.0000
15 G A 0.0000
16 C A 0.0000
17 V A 0.0000
18 L A 0.0000
19 A A 0.0000
20 Q A -0.3833
21 R A -0.3091
22 L A 0.0000
23 S A 0.0000
24 A A 0.0484
25 V A 0.2199
26 P A -0.3447
27 S A -0.4623
28 L A 0.0000
29 R A -1.3332
30 V A 0.0000
31 A A 0.0000
32 L A 0.0000
33 I A 0.0000
34 E A 0.0000
35 A A -0.9968
36 G A 0.0000
37 A A -0.5581
38 D A -0.9181
39 T A 0.0000
40 P A -1.2565
41 P A -1.4379
42 G A -1.5232
43 R A -2.1315
44 V A -1.0137
45 P A -0.8398
46 P A -0.8694
47 E A -0.7919
48 I A 0.0000
49 L A -0.5181
50 D A -1.0719
51 S A 0.0000
52 Y A 0.0000
53 P A 0.2364
54 L A 0.3579
55 P A 0.0102
56 V A 0.0000
57 F A 0.0105
58 C A -0.4063
59 G A -0.9138
60 D A -1.9395
61 T A -0.8994
62 Y A -0.5071
63 I A 0.0000
64 W A -0.8727
65 P A -1.5544
66 E A -2.0807
67 L A 0.0000
68 T A -1.3102
69 A A 0.0000
70 R A -1.8942
71 A A -1.3939
72 T A -2.1050
73 R A -3.1781
74 D A -2.9727
75 S A -2.1147
76 A A -1.4017
77 P A -1.7658
78 R A -1.8806
79 V A -0.7265
80 Y A 0.0000
81 E A 0.0000
82 Q A -0.1618
83 G A -0.5375
84 R A -0.8290
85 V A 0.0000
86 M A 0.0000
87 G A 0.0000
88 G A 0.0000
89 G A -0.2146
90 S A 0.0000
91 S A 0.0000
92 I A 0.0000
93 N A 0.3388
94 V A 1.1611
95 Q A 0.0000
96 S A 0.2160
97 A A 0.0000
98 N A 0.0000
99 R A 0.0000
100 G A 0.0000
101 L A 0.0000
102 P A -0.7730
103 R A -0.8969
104 D A 0.0000
105 Y A 0.0000
106 D A -1.8455
107 A A -0.9857
108 W A 0.0000
109 A A -1.0604
110 A A -0.8261
111 N A -1.2167
112 G A -1.3043
113 A A 0.0000
114 S A -1.0934
115 G A -0.9942
116 W A 0.0000
117 G A 0.0000
118 W A 0.0000
119 E A -2.4264
120 D A -1.9985
121 V A 0.0000
122 L A -0.9893
123 P A -1.0758
124 Y A -0.8747
125 F A 0.0000
126 R A -2.1290
127 K A -1.7706
128 L A 0.0000
129 E A 0.0000
130 R A -2.6858
131 D A 0.0000
132 V A -0.6625
133 D A -0.8345
134 F A -1.1310
135 P A -2.0262
136 D A -2.4914
137 G A -1.9379
138 E A -2.2703
139 L A -1.1432
140 H A 0.0000
141 G A 0.0000
142 K A -3.4762
143 E A -3.1933
144 G A -2.1538
145 P A -1.0781
146 V A 0.0000
147 P A 0.0000
148 I A 0.0000
149 R A -0.5778
150 R A 0.0000
151 I A -0.3385
152 M A -0.5408
153 P A -0.7659
154 A A -0.8520
155 D A -1.7771
156 W A 0.0000
157 P A 0.0000
158 P A -0.8978
159 F A 0.0000
160 C A 0.0000
161 N A -0.9937
162 A A -0.6768
163 F A 0.0000
164 A A -0.8890
165 T A -1.2404
166 G A 0.0000
167 L A 0.0000
168 R A -2.4767
169 K A -2.8894
170 N A -2.1784
171 G A -1.6352
172 V A -1.1898
173 A A -0.8977
174 P A -0.7352
175 L A -0.6171
176 H A -1.0638
177 D A 0.0000
178 Q A 0.0000
179 N A 0.0000
180 A A -0.5069
181 E A -0.7485
182 F A -0.2509
183 G A -0.6970
184 D A -0.9834
185 G A 0.0000
186 F A 0.0000
187 F A 0.0000
188 P A 0.0000
189 A A 0.0000
190 A A 0.0000
191 F A 0.0000
192 S A 0.0000
193 N A 0.0000
194 L A -0.9261
195 D A -2.3535
196 D A -2.4105
197 R A -1.9404
198 R A 0.0000
199 V A 0.0000
200 S A 0.0000
201 T A 0.0000
202 A A 0.0000
203 I A -0.0477
204 A A -0.0094
205 Y A 0.0000
206 L A 0.0000
207 D A -1.7531
208 E A -2.8183
209 S A -2.0229
210 T A 0.0000
211 R A -2.1671
212 K A -2.7374
213 R A -1.6999
214 T A -1.0660
215 N A -0.9931
216 L A 0.0000
217 H A -0.6711
218 I A 0.0331
219 H A -0.4321
220 A A -0.8320
221 D A -1.6288
222 L A 0.0000
223 R A -1.6152
224 V A -0.9430
225 E A -1.3255
226 R A -1.5721
227 I A 0.0000
228 V A -0.7798
229 M A -1.3369
230 E A -2.0587
231 G A -1.8120
232 R A -2.4240
233 V A -1.8177
234 A A 0.0000
235 R A -1.7923
236 G A 0.0000
237 V A 0.0000
238 V A -0.9283
239 A A 0.0000
240 L A -2.3260
241 A A -2.7373
242 R A -3.4315
243 N A -3.2198
244 G A -2.8832
245 E A -3.5224
246 R A -3.2040
247 V A -1.4381
248 R A -1.1023
249 F A 0.0000
250 N A 0.0000
251 A A 0.0000
252 N A -1.7666
253 E A -1.3212
254 V A 0.0000
255 V A 0.0000
256 L A 0.0000
257 C A 0.0000
258 A A -0.1661
259 G A -0.2368
260 A A 0.0000
261 L A 0.0000
262 Q A -0.2575
263 S A 0.0000
264 P A 0.0000
265 A A 0.0000
266 M A -0.3093
267 L A 0.0000
268 M A 0.0000
269 H A -0.7831
270 A A 0.0000
271 G A 0.0000
272 I A 0.0000
273 G A 0.0000
274 P A 0.0000
275 K A -2.9429
276 E A -3.1020
277 E A -1.7631
278 L A 0.0000
279 N A -2.6760
280 A A -1.2643
281 L A -0.5426
282 G A -1.2608
283 I A -1.4362
284 D A -1.9359
285 C A -1.4713
286 V A -0.5345
287 I A -0.7446
288 D A -1.3379
289 L A 0.0000
290 P A -1.0713
291 G A 0.0000
292 V A 0.0000
293 G A 0.0000
294 R A -1.3111
295 N A -1.1163
296 L A 0.0000
297 Q A 0.0000
298 D A 0.0000
299 H A 0.0000
300 P A 0.0000
301 S A 0.0000
302 L A 0.0000
303 T A 0.0000
304 F A 0.0000
305 C A 0.0000
306 H A 0.0000
307 F A 0.0000
308 L A 0.0000
309 A A -0.7924
310 P A -1.1040
311 Q A -1.4317
312 L A 0.0000
313 R A -0.8008
314 M A 0.0000
315 P A -0.4572
316 L A -0.1483
317 A A -0.3397
318 R A -1.1095
319 R A -1.5143
320 R A 0.0000
321 A A 0.0000
322 S A 0.0414
323 M A 0.0000
324 M A 0.0000
325 A A 0.0000
326 A A 0.0000
327 R A 0.0000
328 L A 0.0000
329 S A -0.5121
330 S A 0.0000
331 G A -0.5181
332 I A -0.3188
333 A A -0.4107
334 G A -0.8144
335 G A -0.9268
336 E A -0.9520
337 A A -0.6811
338 S A 0.0000
339 D A 0.0000
340 L A 0.0000
341 Y A 0.0000
342 L A 0.0000
343 S A 0.0937
344 S A 0.0000
345 A A 0.0000
346 T A 0.0000
347 R A 0.0000
348 A A -0.0636
349 A A 0.0000
350 W A 0.1196
351 H A 0.0000
352 E A -0.4044
353 L A 0.0000
354 G A 0.0000
355 N A -0.4529
356 R A -0.8572
357 L A 0.0000
358 G A 0.0000
359 L A 0.0000
360 F A 0.0000
361 F A 0.3584
362 L A 0.0000
363 W A 0.0000
364 C A 0.0000
365 N A 0.0000
366 R A 0.0000
367 P A 0.0000
368 H A -0.9746
369 S A 0.0000
370 R A -1.2993
371 G A 0.0000
372 R A -1.5454
373 V A 0.0000
374 Q A -0.6729
375 L A 0.1268
376 V A 0.9265
377 S A 0.0786
378 A A -0.3840
379 D A -1.4831
380 P A -1.2925
381 A A -0.8457
382 A A -0.6672
383 P A -0.8609
384 P A -0.8846
385 R A -1.5374
386 V A 0.0000
387 D A 0.0000
388 L A 0.0000
389 N A 0.0000
390 L A 0.0000
391 L A 0.0000
392 D A -2.0120
393 D A -1.3987
394 P A -1.2005
395 R A -1.4619
396 D A 0.0000
397 I A 0.0000
398 A A -0.5240
399 R A 0.0000
400 L A 0.0000
401 A A 0.0000
402 C A 0.0118
403 G A 0.0000
404 V A 0.0000
405 R A -0.8730
406 M A -0.7069
407 L A 0.0000
408 A A -0.9615
409 K A -2.0538
410 I A 0.0000
411 A A 0.0000
412 A A -1.2208
413 A A -1.4502
414 S A 0.0000
415 G A -1.0783
416 L A 0.0000
417 G A -1.5800
418 E A -2.3342
419 N A -1.5693
420 A A -1.1176
421 R A -1.4117
422 D A 0.0000
423 F A 0.0000
424 F A 0.0000
425 P A 0.0000
426 A A 0.1737
427 A A 0.1302
428 F A 0.3523
429 S A -0.0394
430 A A -0.4303
431 R A -0.6931
432 V A -0.2035
433 K A -1.1565
434 A A -0.8475
435 L A -0.3946
436 S A 0.0000
437 R A -1.0888
438 V A 0.7831
439 G A 0.2409
440 A A 0.3510
441 G A 0.2310
442 N A 0.4939
443 A A 1.0008
444 L A 2.0512
445 L A 1.9525
446 T A 0.0000
447 S A 0.8311
448 L A 1.6594
449 L A 0.6927
450 G A 0.0000
451 R A -1.6364
452 L A -0.4568
453 L A 0.0000
454 D A -1.6945
455 G A -1.0570
456 P A -0.5009
457 A A -0.4514
458 P A -0.1554
459 L A 0.1026
460 R A -0.6343
461 R A -0.5270
462 M A -0.2574
463 L A -0.3172
464 I A 0.0000
465 E A -1.8766
466 R A -2.2146
467 F A -0.4931
468 F A -0.4861
469 T A 0.0000
470 R A -2.7875
471 G A -2.3187
472 Q A -2.5682
473 R A -2.6205
474 L A 0.0000
475 G A -1.9653
476 D A -2.7302
477 L A 0.0000
478 L A -1.2334
479 A A -1.3520
480 D A -2.0305
481 Q A -1.7233
482 A A -1.2555
483 A A -1.7725
484 L A 0.0000
485 E A -2.0074
486 D A -2.5704
487 F A 0.0000
488 I A 0.0000
489 R A -2.6197
490 A A -1.5113
491 N A -0.8775
492 V A 0.0000
493 F A 0.0543
494 G A 0.0000
495 V A 0.0000
496 W A 0.1727
497 H A 0.0000
498 A A 0.0000
499 S A 0.0000
500 G A 0.0000
501 T A 0.0000
502 C A 0.0000
503 R A -0.6225
504 M A 0.0000
505 G A 0.0000
506 D A -2.1917
507 A A -1.2222
508 S A -0.9450
509 D A -1.1622
510 P A -0.7045
511 A A -0.6254
512 A A 0.0000
513 V A 0.0000
514 T A 0.0000
515 D A -1.3621
516 T A -0.8887
517 A A 0.0000
518 G A 0.0000
519 S A -0.6784
520 V A 0.0000
521 R A -1.0405
522 G A -0.9419
523 A A 0.0000
524 Q A -2.1111
525 G A -1.4829
526 L A 0.0000
527 R A 0.0000
528 V A 0.0000
529 V A 0.0000
530 D A 0.0000
531 A A -0.0812
532 S A 0.0000
533 L A 0.0000
534 M A 0.0000
535 P A 0.0000
536 R A -1.1203
537 L A 0.0000
538 P A 0.0000
539 S A 0.0000
540 A A 0.0000
541 N A 0.0000
542 T A 0.0000
543 N A -0.1380
544 I A 0.0000
545 P A 0.0000
546 T A 0.0000
547 I A 0.0000
548 M A 0.0000
549 M A 0.0000
550 A A 0.0000
551 E A 0.0000
552 K A -0.5461
553 I A 0.0000
554 A A 0.0000
555 D A -0.8201
556 A A -0.8200
557 I A 0.0000
558 L A -0.5839
559 A A -1.1083
560 R A -2.2346
561 R A -1.4900
562 L A -0.2425
563 P A -0.6686
564 G A -0.6316
565 H A -0.5977
566 A A -0.3634
567 G A 0.2077
568 I A 1.0215
569 A A 0.0624
570 C A -0.7453
571 R A -2.1588
572 A A -2.0727
573 D A -3.2022
574 H A -3.1761
575 R A -2.9941
576 H A -1.9115
577 A A -0.4964
578 F A 1.7059
579 L A 1.6577
580 K A 0.2509
581 V A 1.5312
582 S A 0.4493
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Laboratory of Theory of Biopolymers 2018