Project name: a102e9fb36442b6

Status: done

Started: 2026-07-26 11:27:27
Settings
Chain sequence(s) A: MHNVSTTTTGFPLAKILTSTELGDNTIQAANDAANKLFSLTIADLTANQNINTTNAHSTSNILIPELKAPKSLNASSQLTLLIGNLIQILGEKSLTALTNKITAWKSQQQARQQKNLEFSDKINTLLSETEGLTRDYEKQINKLKNADSKIKDLENKINQIQTRLSELDPESPEKKKLSREEIQLTIKKDAAVKDRTLIEQKTLSIHSKLTDKSMQLEKEIDSFSAFSNTASAEQLSTQQKSLTGLASVTQLMATFIQLVGKNNEESLKNDLALFQSLQESRKTEMERKSDEYAAEVRKAEELNRVMGCVGKILGALLTIVSVVAAAFSGGASLALAAVGLALMVTDAIVQAATGNSFMEQALNPIMKAVIEPLIKLLSDAFTKMLEGLGVDSKKAKMIGSILGAIAGALVLVAAVVLVATVGKQAAAKLAENIGKIIGKTLTDLIPKFLKNFSSQLDDLITNAVARLNKFLGAAGDEVISKQIISTHLNQAVLLGESVNSATQAGGSVASAVFQNSASTNLADLTLSKYQVEQLSKYISEAIEKFGQLQEVIADLLASMSNSQANRTDVAKAILQQTTA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-4.2891
Maximal score value
4.1387
Average score
-0.5664
Total score value
-328.5319

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 0.2825
2 H A -0.7492
3 N A -0.7244
4 V A 0.8113
5 S A 0.1614
6 T A 0.0771
7 T A -0.0750
8 T A -0.0839
9 T A 0.1425
10 G A 0.5781
11 F A 1.9414
12 P A 1.6563
13 L A 2.4212
14 A A 1.2494
15 K A 0.4631
16 I A 2.5136
17 L A 2.2584
18 T A 0.6423
19 S A 0.1818
20 T A -0.2351
21 E A -1.2515
22 L A 0.2858
23 G A -1.2665
24 D A -2.1790
25 N A -1.8288
26 T A -0.5739
27 I A 0.0537
28 Q A -2.0080
29 A A -1.4257
30 A A -1.1198
31 N A -2.3937
32 D A -3.0514
33 A A -1.6647
34 A A -1.2014
35 N A -1.7218
36 K A -1.3100
37 L A 1.2938
38 F A 2.4574
39 S A 1.3179
40 L A 2.2451
41 T A 2.0691
42 I A 2.6386
43 A A 1.0560
44 D A -0.3427
45 L A 1.0530
46 T A -0.1651
47 A A -0.7768
48 N A -1.7785
49 Q A -1.9115
50 N A -1.5873
51 I A 0.2042
52 N A -0.8588
53 T A -0.6467
54 T A -0.7345
55 N A -1.5348
56 A A -1.2177
57 H A -1.3648
58 S A -1.0337
59 T A -0.7506
60 S A -0.3129
61 N A 0.2838
62 I A 2.6591
63 L A 2.7890
64 I A 2.8120
65 P A 0.7218
66 E A -0.8791
67 L A 0.0563
68 K A -1.7929
69 A A -1.1298
70 P A -1.3810
71 K A -2.0431
72 S A -1.3982
73 L A -0.9476
74 N A -1.9255
75 A A -0.7428
76 S A -0.5376
77 S A -0.3244
78 Q A -0.4464
79 L A 0.4205
80 T A 0.5344
81 L A 1.5279
82 L A 1.6973
83 I A 0.0000
84 G A 0.3460
85 N A 0.8026
86 L A 1.3971
87 I A 0.4800
88 Q A 0.0826
89 I A 2.0136
90 L A 1.5584
91 G A -0.5290
92 E A -2.2202
93 K A -2.4286
94 S A -1.0451
95 L A 0.0000
96 T A -1.4196
97 A A -1.0403
98 L A -0.3607
99 T A -1.0778
100 N A -1.9203
101 K A -2.2669
102 I A 0.0000
103 T A -1.1256
104 A A -1.2405
105 W A -1.0323
106 K A -1.3434
107 S A -1.2642
108 Q A -1.4989
109 Q A -1.8055
110 Q A -2.4660
111 A A -1.9289
112 R A -2.1080
113 Q A -2.2658
114 Q A -2.2897
115 K A -1.9318
116 N A -1.2634
117 L A -0.6804
118 E A -1.6874
119 F A -0.9470
120 S A -1.1811
121 D A -2.3606
122 K A -1.7657
123 I A -0.5693
124 N A -1.6383
125 T A -1.2040
126 L A -0.5246
127 L A 0.2542
128 S A -0.7276
129 E A -1.2142
130 T A -1.4164
131 E A -1.8813
132 G A -1.6960
133 L A -1.9964
134 T A -2.5587
135 R A -3.5569
136 D A -3.4505
137 Y A -2.4427
138 E A -3.2275
139 K A -3.6194
140 Q A -2.7755
141 I A -2.0039
142 N A -3.2456
143 K A -3.0950
144 L A -2.4816
145 K A -3.3378
146 N A -3.5564
147 A A 0.0000
148 D A -3.2654
149 S A -3.3859
150 K A -3.9421
151 I A 0.0000
152 K A -3.9726
153 D A -3.7169
154 L A 0.0000
155 E A -3.4719
156 N A -3.7584
157 K A -3.3189
158 I A 0.0000
159 N A -3.4245
160 Q A -3.2703
161 I A 0.0000
162 Q A -2.7277
163 T A -2.5522
164 R A -3.3360
165 L A -2.9088
166 S A -2.0767
167 E A -2.9440
168 L A -2.6326
169 D A -3.0405
170 P A -2.6024
171 E A -3.0265
172 S A -2.7033
173 P A -2.5990
174 E A -3.3944
175 K A -4.0365
176 K A -4.1335
177 K A -4.1127
178 L A 0.0000
179 S A -2.7229
180 R A -3.1930
181 E A -2.5373
182 E A -1.5036
183 I A 0.5849
184 Q A -0.9155
185 L A -1.0245
186 T A -0.3649
187 I A 0.7023
188 K A -1.3970
189 K A -2.1179
190 D A -1.8335
191 A A -1.6567
192 A A 0.0000
193 V A -1.5283
194 K A -2.3354
195 D A -2.2587
196 R A -2.1750
197 T A -0.8152
198 L A -0.2211
199 I A -0.7737
200 E A -0.7961
201 Q A -1.2189
202 K A -1.4489
203 T A 0.0000
204 L A -0.3976
205 S A -1.0584
206 I A -1.4820
207 H A -1.1278
208 S A -1.2358
209 K A -1.7490
210 L A -1.0730
211 T A -0.8203
212 D A -1.4426
213 K A -1.0888
214 S A -0.8751
215 M A -0.5954
216 Q A -1.3659
217 L A -0.8271
218 E A -2.4632
219 K A -2.7628
220 E A -1.5526
221 I A -0.6983
222 D A -2.3590
223 S A -1.3249
224 F A -0.6346
225 S A -0.7267
226 A A -0.5943
227 F A -0.3038
228 S A -0.8190
229 N A -1.4419
230 T A -1.0243
231 A A -1.1644
232 S A -1.1393
233 A A -1.1786
234 E A -2.2676
235 Q A -1.7780
236 L A -0.6504
237 S A -1.4760
238 T A -1.8290
239 Q A -1.8053
240 Q A -1.9979
241 K A -2.3163
242 S A -1.1783
243 L A -0.2074
244 T A -0.1581
245 G A 0.2089
246 L A 1.2378
247 A A 0.4070
248 S A 0.9884
249 V A 2.3317
250 T A 1.7441
251 Q A 0.9049
252 L A 3.0751
253 M A 3.3949
254 A A 2.2758
255 T A 2.4322
256 F A 4.1387
257 I A 3.6823
258 Q A 1.1454
259 L A 2.4757
260 V A 2.5400
261 G A -0.0710
262 K A -1.8550
263 N A -2.5200
264 N A -3.1511
265 E A -4.0576
266 E A -4.0214
267 S A -2.5472
268 L A -1.2168
269 K A -2.1549
270 N A -1.7241
271 D A -0.1806
272 L A 1.5080
273 A A 0.7514
274 L A 1.7395
275 F A 1.8186
276 Q A -0.4413
277 S A -0.4570
278 L A 0.0613
279 Q A -2.3759
280 E A -3.3433
281 S A -2.5916
282 R A -3.8520
283 K A -3.9585
284 T A -3.3229
285 E A -3.4377
286 M A -2.6467
287 E A -4.1112
288 R A -4.2891
289 K A -3.7673
290 S A -2.9147
291 D A -3.4964
292 E A -3.3277
293 Y A -1.2644
294 A A -1.0492
295 A A -1.6382
296 E A -2.3725
297 V A -1.0682
298 R A -3.2081
299 K A -3.4263
300 A A -2.4825
301 E A -3.7869
302 E A -3.1499
303 L A -0.7804
304 N A -1.8836
305 R A -1.6122
306 V A 1.1633
307 M A 1.4886
308 G A 0.5450
309 C A 1.8049
310 V A 2.4255
311 G A 1.1026
312 K A 0.5462
313 I A 2.8934
314 L A 3.0628
315 G A 1.6102
316 A A 1.8551
317 L A 3.1320
318 L A 3.0417
319 T A 1.7846
320 I A 1.9524
321 V A 2.3161
322 S A 1.5257
323 V A 1.6982
324 V A 2.5919
325 A A 1.8344
326 A A 1.2177
327 A A 1.2214
328 F A 1.6736
329 S A 0.5502
330 G A -0.1268
331 G A -0.1501
332 A A 0.7518
333 S A 0.8722
334 L A 1.8237
335 A A 1.1774
336 L A 1.6602
337 A A 1.6199
338 A A 1.2568
339 V A 1.5145
340 G A 1.4201
341 L A 1.7680
342 A A 1.2459
343 L A 1.7263
344 M A 2.3383
345 V A 2.5905
346 T A 1.7199
347 D A 1.0158
348 A A 1.4807
349 I A 2.2590
350 V A 0.9592
351 Q A -0.7769
352 A A 0.0767
353 A A 0.1223
354 T A -0.4976
355 G A -1.0812
356 N A -2.0021
357 S A 0.0000
358 F A -0.7322
359 M A -0.9896
360 E A -2.6933
361 Q A -2.2916
362 A A -0.9884
363 L A -1.0654
364 N A -1.9607
365 P A -1.2969
366 I A -0.5929
367 M A -0.9437
368 K A -1.9119
369 A A -0.8248
370 V A -0.3842
371 I A 0.0000
372 E A -1.3955
373 P A -1.0953
374 L A 0.0000
375 I A -0.0344
376 K A -1.9622
377 L A -0.8354
378 L A -0.0356
379 S A -0.5047
380 D A -2.5133
381 A A -0.8734
382 F A -0.0184
383 T A 0.0000
384 K A -1.5656
385 M A 0.6884
386 L A -0.7586
387 E A -2.1742
388 G A 0.2024
389 L A 0.3104
390 G A -0.8614
391 V A -1.6806
392 D A -3.1661
393 S A -3.0761
394 K A -3.4025
395 K A -3.1104
396 A A 0.0000
397 K A -2.6628
398 M A -0.1353
399 I A 0.9605
400 G A 0.0000
401 S A 0.7080
402 I A 2.7475
403 L A 2.4644
404 G A 0.0000
405 A A 1.9310
406 I A 3.2008
407 A A 2.2071
408 G A 0.0000
409 A A 1.9096
410 L A 2.4996
411 V A 1.8270
412 L A 1.6622
413 V A 1.6489
414 A A 1.4496
415 A A 0.0000
416 V A 1.6380
417 V A 1.9303
418 L A 1.7678
419 V A 1.1742
420 A A 1.0399
421 T A 1.2016
422 V A 1.5211
423 G A -0.1662
424 K A -1.7612
425 Q A -1.9015
426 A A 0.0000
427 A A -0.8422
428 A A -1.8930
429 K A -2.7374
430 L A -1.4395
431 A A -1.7495
432 E A -3.0886
433 N A -2.4876
434 I A -1.0171
435 G A -1.8493
436 K A -2.1904
437 I A 0.1852
438 I A 0.0126
439 G A -1.2730
440 K A -1.9422
441 T A -0.5829
442 L A 0.1190
443 T A -1.1246
444 D A -1.7250
445 L A 0.4466
446 I A 0.7446
447 P A -0.4625
448 K A -1.0299
449 F A 1.4284
450 L A 1.0920
451 K A -1.3531
452 N A -1.2520
453 F A 0.1999
454 S A -0.4834
455 S A -1.4851
456 Q A -1.6567
457 L A -0.8669
458 D A -2.3272
459 D A -2.2801
460 L A 0.1138
461 I A 0.1140
462 T A -0.4671
463 N A -1.1896
464 A A -0.0090
465 V A 1.1490
466 A A -0.4307
467 R A -1.1697
468 L A 0.9481
469 N A -0.6059
470 K A -0.9602
471 F A 1.5939
472 L A 1.4279
473 G A -0.1307
474 A A -0.1197
475 A A 0.2132
476 G A -1.2543
477 D A -2.2018
478 E A -1.4893
479 V A 0.9217
480 I A 1.7809
481 S A 0.1933
482 K A -0.9100
483 Q A -0.0571
484 I A 2.2305
485 I A 2.3444
486 S A 0.8654
487 T A 0.5432
488 H A -0.4234
489 L A 0.3930
490 N A -1.1717
491 Q A -1.0044
492 A A 0.9572
493 V A 2.5303
494 L A 2.7598
495 L A 2.0561
496 G A 0.0842
497 E A -1.3695
498 S A -0.5605
499 V A 0.5345
500 N A -0.7321
501 S A -0.3620
502 A A -0.4349
503 T A -0.7634
504 Q A -1.2898
505 A A -0.8578
506 G A -0.9567
507 G A -0.4078
508 S A 0.4220
509 V A 1.7092
510 A A 1.3080
511 S A 0.9840
512 A A 1.1436
513 V A 2.0641
514 F A 1.8032
515 Q A -0.4580
516 N A -1.2877
517 S A -0.5697
518 A A -0.2028
519 S A -0.4916
520 T A -0.7178
521 N A -0.9937
522 L A 0.8068
523 A A 0.1588
524 D A -0.5922
525 L A 1.1721
526 T A 0.6959
527 L A 1.1375
528 S A 0.2923
529 K A -0.7420
530 Y A 0.0967
531 Q A -0.7157
532 V A 0.0913
533 E A -1.7141
534 Q A -1.1026
535 L A 0.8033
536 S A -0.2572
537 K A -0.9391
538 Y A 0.8914
539 I A 1.8045
540 S A 0.1266
541 E A -0.9083
542 A A 0.3021
543 I A 1.2433
544 E A -1.4080
545 K A -1.7555
546 F A 0.5386
547 G A -1.0885
548 Q A -1.3343
549 L A 0.5587
550 Q A -0.7798
551 E A -1.2452
552 V A 1.4106
553 I A 1.7521
554 A A 0.4455
555 D A -0.3798
556 L A 1.4633
557 L A 1.7280
558 A A 0.4273
559 S A -0.2591
560 M A -0.1247
561 S A -0.9879
562 N A -2.1186
563 S A -2.2365
564 Q A -2.9155
565 A A -2.4452
566 N A -3.3599
567 R A -3.6372
568 T A -2.5758
569 D A -2.5670
570 V A -0.8297
571 A A -0.7169
572 K A -1.5705
573 A A -0.3830
574 I A 1.4578
575 L A 0.9168
576 Q A -0.7420
577 Q A -0.8450
578 T A -0.1212
579 T A -0.1263
580 A A -0.4417
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018