Project name: 181M

Status: done

Started: 2025-02-25 12:00:45
Settings
Chain sequence(s) A: AAATAHGATGYNALGNRRFRNLGLGYFSQLFQSAHFNSYANAYNNAAANARRCVADPAAHGCDASANNAYSSRACNAHDLNSTYGDAASCCNLNMPNNWQCFLSYADADPGAHSHQYDHSSFMQQYSSDSQQFRRRFYYQWARRNPFYQHTFLFYFAQSVVGIFQQCMSSQDYQACFYPSFSQLQSQIQQAAFQSFFSRYFIQHFGQQQLRRFFVVSFSSRFPSADFDFYMSFVSSRTSVYVFASNGNYLSATVSAFSLTDWYCNNYDSISSNLGSCCSTDHYSRYYCIYNVPTDSVPTDVSPYSTSFADDPNVMSKYKKDKSGFLDKFAYSYARQHPDLANPYKMYIVDSYEKILEEGMKKKDPYSVIKNVYEKLKKYVEKFKPIVKKYCEIYKKYGKKGFTYYYAREVTRKYPHYPTDVYVKFSIKYGEYGETCCDYPEEEQYPCFYEKYYLVYTELCAYSYVNPVDPRYYKICTESPYTMIENFFNLEPSDDYEPEPFDESKFTFTPEIMTYPKEEQEELLLRFVVELFKTYPNVSDEKFEEILKLLEELIKKCMSSDDKEACFKKLNPIFIKKVKELMS
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:12:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:48)
Show buried residues

Minimal score value
-3.9917
Maximal score value
0.683
Average score
-0.973
Total score value
-567.2473

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 A A 0.0900
2 A A -0.1607
3 A A -0.5808
4 T A -0.6520
5 A A 0.0000
6 H A -0.5554
7 G A -0.9454
8 A A 0.0000
9 T A -0.5332
10 G A 0.0000
11 Y A -1.3241
12 N A -1.4216
13 A A -0.6373
14 L A 0.0000
15 G A -1.7555
16 N A -2.3907
17 R A -2.6042
18 R A -1.6956
19 F A 0.0000
20 R A -2.0281
21 N A -1.3213
22 L A 0.0000
23 G A 0.0000
24 L A 0.0000
25 G A 0.0000
26 Y A 0.0000
27 F A 0.0000
28 S A 0.0000
29 Q A 0.0000
30 L A 0.0000
31 F A 0.0000
32 Q A -0.6891
33 S A -0.5863
34 A A 0.0000
35 H A -1.5122
36 F A 0.0000
37 N A -1.8594
38 S A -1.6745
39 Y A 0.0000
40 A A -1.6295
41 N A -2.0515
42 A A 0.0000
43 Y A 0.0000
44 N A -1.8538
45 N A -2.2501
46 A A 0.0000
47 A A 0.0000
48 A A -1.6399
49 N A -1.5308
50 A A 0.0000
51 R A -2.5051
52 R A -1.6608
53 C A 0.0000
54 V A -0.6012
55 A A -0.7192
56 D A -1.4298
57 P A -1.3083
58 A A -0.8981
59 A A -1.2574
60 H A -1.6853
61 G A -1.5117
62 C A 0.0000
63 D A -2.2352
64 A A -1.3209
65 S A -0.8178
66 A A 0.0000
67 N A 0.0000
68 N A -0.9706
69 A A -0.6708
70 Y A 0.0000
71 S A 0.0000
72 S A -0.6208
73 R A -1.1042
74 A A 0.0000
75 C A -1.1565
76 N A -1.7488
77 A A -1.9805
78 H A -2.4225
79 D A -2.8886
80 L A 0.0000
81 N A -2.4731
82 S A -1.8084
83 T A -1.3808
84 Y A -1.1031
85 G A -1.8372
86 D A -2.0348
87 A A 0.0000
88 A A -1.3096
89 S A -1.0653
90 C A 0.0000
91 C A -0.7002
92 N A -1.3205
93 L A -1.0595
94 N A -1.6390
95 M A -1.1522
96 P A -1.4762
97 N A -2.0418
98 N A -1.5008
99 W A 0.0000
100 Q A -1.6536
101 C A -0.5752
102 F A 0.0000
103 L A 0.0000
104 S A -0.1434
105 Y A 0.2840
106 A A 0.0000
107 D A -0.9448
108 A A -0.5728
109 D A -0.8203
110 P A -1.0091
111 G A -1.0129
112 A A -0.9625
113 H A -1.5242
114 S A -1.4809
115 H A -2.0835
116 Q A -2.2587
117 Y A -1.7838
118 D A -2.4409
119 H A -1.5596
120 S A -1.1743
121 S A -1.2326
122 F A 0.0000
123 M A -0.6629
124 Q A -1.6998
125 Q A -1.8289
126 Y A 0.0000
127 S A -1.1066
128 S A -1.3636
129 D A -1.8109
130 S A -1.6832
131 Q A -2.1650
132 Q A -2.1095
133 F A 0.0000
134 R A -1.5285
135 R A -1.4944
136 R A -1.4653
137 F A 0.0000
138 Y A 0.0000
139 Y A 0.0000
140 Q A -0.6973
141 W A 0.0000
142 A A 0.0000
143 R A -0.9313
144 R A -1.1795
145 N A -0.9191
146 P A 0.0000
147 F A 0.0000
148 Y A 0.0000
149 Q A 0.0000
150 H A 0.0000
151 T A 0.0000
152 F A 0.0000
153 L A 0.0000
154 F A 0.0000
155 Y A -0.1806
156 F A 0.0000
157 A A 0.0000
158 Q A -0.4905
159 S A -0.3482
160 V A 0.0000
161 V A -0.7056
162 G A -0.9503
163 I A -0.5280
164 F A 0.0000
165 Q A -1.6263
166 Q A -1.5874
167 C A 0.0000
168 M A -0.6012
169 S A -0.8975
170 S A -1.3542
171 Q A -1.7962
172 D A -1.8944
173 Y A -1.0503
174 Q A -1.2949
175 A A -0.7745
176 C A -0.5769
177 F A 0.0000
178 Y A 0.0233
179 P A -0.4402
180 S A -0.4799
181 F A 0.0000
182 S A -0.8631
183 Q A -1.5167
184 L A 0.0000
185 Q A -1.4511
186 S A -1.7194
187 Q A -1.6496
188 I A 0.0000
189 Q A -2.0111
190 Q A -1.9082
191 A A 0.0000
192 A A -0.8309
193 F A -0.5107
194 Q A -0.3991
195 S A 0.0000
196 F A 0.0000
197 F A 0.0833
198 S A 0.0000
199 R A -0.6717
200 Y A 0.0000
201 F A 0.0000
202 I A 0.0000
203 Q A -1.6322
204 H A -1.3089
205 F A 0.0000
206 G A -1.3768
207 Q A -1.7732
208 Q A -1.6734
209 Q A -1.2454
210 L A 0.0000
211 R A -1.1090
212 R A 0.0000
213 F A -0.2914
214 F A 0.0000
215 V A 0.0000
216 V A 0.0000
217 S A -0.1308
218 F A 0.0162
219 S A 0.0000
220 S A 0.0000
221 R A -0.6324
222 F A 0.0000
223 P A 0.0000
224 S A -0.8175
225 A A 0.0000
226 D A -2.0781
227 F A -1.4713
228 D A -2.0202
229 F A -0.9220
230 Y A 0.0000
231 M A -0.7397
232 S A -0.3346
233 F A 0.0000
234 V A 0.0000
235 S A -0.4853
236 S A -0.2433
237 R A 0.0000
238 T A 0.0000
239 S A -0.0178
240 V A 0.0000
241 Y A 0.0000
242 V A -0.1226
243 F A 0.3089
244 A A 0.0000
245 S A -0.6124
246 N A -1.4356
247 G A 0.0000
248 N A -0.3249
249 Y A 0.0000
250 L A 0.0000
251 S A 0.1899
252 A A 0.0000
253 T A 0.0000
254 V A 0.1714
255 S A 0.0294
256 A A 0.0000
257 F A 0.0000
258 S A -0.3626
259 L A 0.0000
260 T A 0.0000
261 D A -1.2010
262 W A -0.6050
263 Y A 0.0000
264 C A -1.0019
265 N A -1.6487
266 N A -1.2935
267 Y A -1.0332
268 D A -2.0312
269 S A -1.3694
270 I A 0.0000
271 S A 0.0000
272 S A -1.0055
273 N A -0.9289
274 L A 0.0000
275 G A -0.7618
276 S A -0.3905
277 C A 0.0000
278 C A -0.7155
279 S A -0.6612
280 T A -1.0074
281 D A -1.7694
282 H A -1.1940
283 Y A -0.5316
284 S A -0.5903
285 R A -0.8694
286 Y A 0.0000
287 Y A 0.0275
288 C A -0.1447
289 I A 0.0000
290 Y A -0.1576
291 N A -0.8869
292 V A 0.0000
293 P A -0.7436
294 T A -0.8180
295 D A -0.6183
296 S A -0.2485
297 V A -0.0800
298 P A -0.5032
299 T A -0.7961
300 D A -1.7144
301 V A -0.7395
302 S A -0.6821
303 P A -0.4866
304 Y A -0.3939
305 S A -0.6025
306 T A -0.8974
307 S A -1.0190
308 F A 0.0000
309 A A -1.5943
310 D A -2.5469
311 D A -1.8994
312 P A -1.5494
313 N A -2.0209
314 V A 0.0000
315 M A 0.0000
316 S A -2.2382
317 K A -3.2266
318 Y A 0.0000
319 K A -3.8442
320 K A -3.9917
321 D A -3.8481
322 K A -3.1453
323 S A -1.8577
324 G A -1.5314
325 F A 0.0000
326 L A 0.0000
327 D A 0.0000
328 K A -1.0553
329 F A 0.0000
330 A A 0.0000
331 Y A 0.0000
332 S A -0.3834
333 Y A 0.0000
334 A A 0.0000
335 R A -0.6007
336 Q A -0.6258
337 H A -0.9280
338 P A -1.1763
339 D A -2.0911
340 L A -1.1060
341 A A -0.6762
342 N A -0.5411
343 P A 0.0000
344 Y A 0.0000
345 K A 0.0000
346 M A 0.0000
347 Y A 0.0000
348 I A 0.0000
349 V A 0.0000
350 D A -1.1008
351 S A 0.0000
352 Y A 0.0000
353 E A -1.9977
354 K A -2.6265
355 I A 0.0000
356 L A 0.0000
357 E A -2.8225
358 E A -2.7715
359 G A 0.0000
360 M A -2.1518
361 K A -3.1136
362 K A -3.1022
363 K A -2.8645
364 D A -2.0253
365 P A -1.4624
366 Y A -0.3890
367 S A -0.8481
368 V A 0.0000
369 I A 0.0000
370 K A -2.5634
371 N A -2.4627
372 V A 0.0000
373 Y A -1.9833
374 E A -3.4340
375 K A -2.8946
376 L A 0.0000
377 K A -3.6930
378 K A -3.8287
379 Y A -2.3451
380 V A 0.0000
381 E A -3.2194
382 K A -3.0430
383 F A 0.0000
384 K A -2.4221
385 P A -1.6303
386 I A -1.2036
387 V A 0.0000
388 K A -2.5557
389 K A -2.6560
390 Y A 0.0000
391 C A 0.0000
392 E A -3.3505
393 I A -2.1365
394 Y A -2.3904
395 K A -3.4747
396 K A -2.6624
397 Y A -1.1799
398 G A -1.8644
399 K A -2.2368
400 K A -1.7517
401 G A -1.0615
402 F A 0.0000
403 T A -0.5688
404 Y A 0.0000
405 Y A -0.2825
406 Y A 0.0000
407 A A 0.0000
408 R A -0.7805
409 E A -0.5002
410 V A 0.0000
411 T A 0.0000
412 R A -1.3266
413 K A -1.4120
414 Y A 0.0000
415 P A 0.0000
416 H A -0.5070
417 Y A 0.0000
418 P A -0.7336
419 T A -1.2732
420 D A -2.2395
421 V A 0.0000
422 Y A 0.0000
423 V A 0.0000
424 K A -1.3261
425 F A 0.0000
426 S A 0.0000
427 I A -0.4600
428 K A -0.8649
429 Y A 0.0000
430 G A 0.0000
431 E A -2.2006
432 Y A 0.0000
433 G A 0.0000
434 E A -2.6908
435 T A -1.3895
436 C A 0.0000
437 C A 0.0000
438 D A -2.4067
439 Y A -1.6050
440 P A -2.2376
441 E A -3.6486
442 E A -3.5337
443 E A -3.3440
444 Q A -2.4127
445 Y A 0.0000
446 P A -1.4830
447 C A -0.7464
448 F A 0.0000
449 Y A 0.0000
450 E A -0.6570
451 K A -0.6167
452 Y A 0.0000
453 Y A 0.0000
454 L A 0.2375
455 V A 0.0000
456 Y A 0.0000
457 T A 0.0000
458 E A -0.0925
459 L A 0.0000
460 C A 0.0000
461 A A 0.0000
462 Y A 0.1793
463 S A 0.0000
464 Y A 0.6830
465 V A 0.3641
466 N A 0.0682
467 P A 0.1346
468 V A 0.2930
469 D A 0.0000
470 P A -0.5923
471 R A -0.8150
472 Y A 0.0000
473 Y A -0.6224
474 K A -2.1769
475 I A 0.0000
476 C A 0.0000
477 T A -1.4859
478 E A -2.3308
479 S A -1.3113
480 P A 0.0000
481 Y A 0.0000
482 T A -0.7418
483 M A 0.0000
484 I A 0.0000
485 E A -1.3415
486 N A -1.7785
487 F A 0.0000
488 F A -0.9859
489 N A -1.9450
490 L A -1.6316
491 E A -2.5704
492 P A -2.2363
493 S A -2.3877
494 D A -3.2125
495 D A -3.0821
496 Y A -2.5216
497 E A -2.9017
498 P A -1.8889
499 E A -1.8951
500 P A -1.3029
501 F A -1.1951
502 D A -2.1621
503 E A -2.4912
504 S A -1.7995
505 K A -2.2824
506 F A 0.0000
507 T A -1.2113
508 F A 0.0000
509 T A -1.2544
510 P A -1.6319
511 E A -1.7485
512 I A 0.0000
513 M A -0.6486
514 T A -0.7149
515 Y A -1.1999
516 P A -1.9341
517 K A -3.2928
518 E A -3.6602
519 E A -2.7316
520 Q A -2.5397
521 E A -3.0227
522 E A -2.3407
523 L A -1.0554
524 L A -0.6847
525 L A 0.0000
526 R A -1.3653
527 F A 0.0000
528 V A 0.0000
529 V A 0.0000
530 E A -0.9214
531 L A 0.0000
532 F A 0.0000
533 K A 0.0000
534 T A 0.0000
535 Y A -0.7725
536 P A -1.2340
537 N A -1.5988
538 V A 0.0000
539 S A -2.3372
540 D A -3.5536
541 E A -3.7117
542 K A -2.9563
543 F A 0.0000
544 E A -3.3342
545 E A -3.2427
546 I A 0.0000
547 L A -2.0692
548 K A -3.0901
549 L A -2.1066
550 L A 0.0000
551 E A -3.3053
552 E A -3.7261
553 L A 0.0000
554 I A 0.0000
555 K A -3.3759
556 K A -3.2017
557 C A 0.0000
558 M A -1.8091
559 S A -1.7689
560 S A -2.4718
561 D A -2.9299
562 D A -3.2327
563 K A -3.3811
564 E A -3.4773
565 A A -2.6643
566 C A -2.6704
567 F A 0.0000
568 K A -2.8855
569 K A -2.5305
570 L A -1.1841
571 N A 0.0000
572 P A -1.0880
573 I A -0.4066
574 F A 0.0000
575 I A 0.0000
576 K A -2.6252
577 K A -2.3420
578 V A 0.0000
579 K A -2.2662
580 E A -2.8454
581 L A -1.6452
582 M A -1.2485
583 S A -0.9682
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Laboratory of Theory of Biopolymers 2018