Project name: 6221a388c457698

Status: done

Started: 2026-04-24 09:14:58
Settings
Chain sequence(s) A: SAAAEKGPPALNIAVMLGHSHDVTERELRTLWGPEQAAGLPLDVNVVALLMNRTDPKSLITHVCDLMSGARIHGLVFGDDTDQEAVAQMLDFISSHTFVPILGIHGGASMIMADKDPTSTFFQFGASIQQQATVMLKIMQDYDWHVFSLVTTIFPGYREFISFVKTTVDNSFVGWDMQNVITLDTSFEDAKTQVQLKKIHSSVILLYCSKDEAVLILSEARSLGLTGYDFFWIVPSLVSGNTELIPKEFPSGLISVSYDDWDYSLEARVRDGIGILTTAASSMLEKFSYIPEAKASCYGQMERPEVPMHTLHPFMVNVTWDGKDLSFTEEGYQVHPRLVVIVLNKDREWEKVGKWENHTLSLRHAVWPRYKSFSDCEPDDNHLSIVTLEEAPFVIVEDIDPLTETCVRNTVPCRKFVKINNSTNEGMNVKKCCKGFCIDILKKLSRTVKFTYDLYLVTNGKHGKKVNNVWNGMIGEVVYQRAVMAVGSLTINEERSEVVDFSVPFVETGISVMVSRSNGTVSPSAFLEPFSAS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-3.6764
Maximal score value
3.0245
Average score
-0.6343
Total score value
-338.0618

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
2 S A -0.3797
3 A A -0.6336
4 A A -0.9608
5 A A -1.3611
6 E A -2.7301
7 K A -2.8500
8 G A -2.1213
9 P A -1.4165
10 P A -0.8778
11 A A -1.0583
12 L A 0.0000
13 N A -1.1124
14 I A 0.0000
15 A A 0.0000
16 V A 0.0000
17 M A 0.0000
18 L A 0.0000
19 G A 0.0000
20 H A -2.1533
21 S A -1.5313
22 H A -2.1577
23 D A -2.2794
24 V A -1.6904
25 T A -1.8276
26 E A -1.9063
27 R A -3.0253
28 E A -2.6424
29 L A 0.0000
30 R A -2.4469
31 T A -1.7029
32 L A 0.0000
33 W A 0.0000
34 G A -1.1432
35 P A -1.4831
36 E A -2.1633
37 Q A -1.6202
38 A A -1.1561
39 A A -0.8771
40 G A -0.6622
41 L A -0.3287
42 P A -0.7504
43 L A 0.0000
44 D A -2.1214
45 V A -1.2548
46 N A -1.5294
47 V A 0.0000
48 V A -0.2880
49 A A 0.0000
50 L A 0.1587
51 L A -0.1578
52 M A 0.0000
53 N A -2.5027
54 R A -3.0281
55 T A 0.0000
56 D A -1.9703
57 P A -1.4059
58 K A -2.0146
59 S A -1.5565
60 L A 0.0000
61 I A 0.0837
62 T A -0.6974
63 H A -0.8227
64 V A 0.0000
65 C A -0.6553
66 D A -2.0181
67 L A -1.1172
68 M A 0.0000
69 S A -1.3550
70 G A -1.3517
71 A A -1.3693
72 R A -2.2841
73 I A 0.0000
74 H A -0.8484
75 G A 0.0000
76 L A 0.0000
77 V A 0.0000
78 F A 0.0000
79 G A 0.0000
80 D A 0.0000
81 D A -1.3312
82 T A -1.0908
83 D A -1.2281
84 Q A -1.8706
85 E A -1.1924
86 A A -0.9158
87 V A 0.0000
88 A A 0.0000
89 Q A -0.7383
90 M A 0.4060
91 L A 0.0000
92 D A 0.0000
93 F A 1.5797
94 I A 0.0000
95 S A 0.0000
96 S A 0.2782
97 H A 0.2373
98 T A 0.0000
99 F A 0.5549
100 V A 0.1679
101 P A 0.0000
102 I A 0.0000
103 L A 0.0000
104 G A 0.0000
105 I A 0.0000
106 H A -0.4196
107 G A -0.8483
108 G A 0.0000
109 A A 0.0000
110 S A -0.3993
111 M A 0.0000
112 I A 0.0000
113 M A 0.0000
114 A A -1.6198
115 D A -2.4968
116 K A -1.8024
117 D A -1.4499
118 P A -1.5116
119 T A -0.4400
120 S A 0.0000
121 T A 0.0000
122 F A 0.0000
123 F A 0.0000
124 Q A 0.0000
125 F A 0.0000
126 G A -0.2042
127 A A 0.0000
128 S A 0.0000
129 I A 0.0000
130 Q A -1.1108
131 Q A -0.6154
132 Q A 0.0000
133 A A 0.0000
134 T A -0.4821
135 V A 0.0000
136 M A 0.0000
137 L A 0.0000
138 K A -0.6037
139 I A 0.0000
140 M A 0.0000
141 Q A -1.0610
142 D A -1.3935
143 Y A -0.4505
144 D A -0.4865
145 W A -0.1645
146 H A -0.1524
147 V A 0.1041
148 F A 0.0000
149 S A 0.0000
150 L A 0.0000
151 V A 0.0000
152 T A 0.0000
153 T A 0.0000
154 I A 1.6216
155 F A 0.7633
156 P A -0.3618
157 G A -1.0560
158 Y A -0.6006
159 R A -2.0519
160 E A -2.4009
161 F A 0.0000
162 I A -0.9385
163 S A -1.4040
164 F A -1.1145
165 V A 0.0000
166 K A -1.9877
167 T A -1.5301
168 T A -1.3450
169 V A -1.3909
170 D A -2.4087
171 N A -1.9121
172 S A -0.3279
173 F A 1.8020
174 V A 0.3480
175 G A -0.0602
176 W A -0.2710
177 D A -0.8262
178 M A -0.4896
179 Q A -1.0167
180 N A -0.6920
181 V A 0.7399
182 I A 0.0000
183 T A 0.2669
184 L A 0.0000
185 D A -0.2671
186 T A 0.0135
187 S A 0.1512
188 F A 0.1177
189 E A -2.2620
190 D A -2.4150
191 A A -1.4768
192 K A -1.8452
193 T A -1.2816
194 Q A -1.4395
195 V A -0.1458
196 Q A -0.9280
197 L A 0.0000
198 K A -2.4149
199 K A -2.6882
200 I A 0.0000
201 H A -1.7446
202 S A 0.0000
203 S A -0.1961
204 V A 0.0000
205 I A 0.0000
206 L A 0.0000
207 L A 0.0000
208 Y A 0.0000
209 C A 0.0000
210 S A 0.0000
211 K A -1.0892
212 D A -1.6843
213 E A -0.5757
214 A A 0.0000
215 V A -0.0712
216 L A 0.6769
217 I A 0.0000
218 L A 0.0000
219 S A -0.4996
220 E A -1.0322
221 A A 0.0000
222 R A -1.6168
223 S A -0.9789
224 L A -0.6462
225 G A -0.9845
226 L A 0.0000
227 T A 0.0000
228 G A -0.5731
229 Y A -0.6551
230 D A -0.9024
231 F A -0.1044
232 F A 0.1786
233 W A 0.0000
234 I A 0.0000
235 V A 0.0000
236 P A 0.0000
237 S A -0.1016
238 L A 0.0000
239 V A 0.0000
240 S A 0.0000
241 G A -0.5850
242 N A -0.7413
243 T A -0.9291
244 E A -1.3588
245 L A 0.3810
246 I A -0.2411
247 P A -0.8868
248 K A -1.7763
249 E A -1.3125
250 F A 0.0000
251 P A 0.0000
252 S A -1.6684
253 G A -0.5499
254 L A 0.0000
255 I A 0.0000
256 S A 0.0000
257 V A 0.0000
258 S A 0.0000
259 Y A -0.4965
260 D A 0.0000
261 D A -1.0097
262 W A -0.5762
263 D A -1.7613
264 Y A 0.0000
265 S A -0.8503
266 L A -0.6387
267 E A -1.2009
268 A A -0.8849
269 R A 0.0000
270 V A 0.0000
271 R A -1.1066
272 D A 0.0000
273 G A 0.0000
274 I A 0.0000
275 G A 0.0000
276 I A 0.0000
277 L A 0.0000
278 T A 0.0000
279 T A -0.0569
280 A A 0.0000
281 A A -0.1454
282 S A 0.0000
283 S A -0.8983
284 M A 0.0000
285 L A -0.6196
286 E A -2.2085
287 K A -2.0417
288 F A -0.1810
289 S A -0.2039
290 Y A 0.5699
291 I A 0.2824
292 P A -0.8484
293 E A -2.0733
294 A A -1.6771
295 K A -1.7122
296 A A -1.2073
297 S A -0.6758
298 C A 0.1471
299 Y A 0.9476
300 G A -0.5521
301 Q A -1.3687
302 M A -0.9128
303 E A -3.0031
304 R A -3.1356
305 P A -2.1430
306 E A -2.5565
307 V A -1.1578
308 P A -1.0271
309 M A -0.7932
310 H A -0.9864
311 T A -0.3017
312 L A 0.0687
313 H A -0.6996
314 P A -0.7438
315 F A -0.2346
316 M A 0.0000
317 V A -0.7817
318 N A -1.4452
319 V A 0.0000
320 T A -1.4097
321 W A -1.3501
322 D A -2.3384
323 G A -1.8230
324 K A -1.9087
325 D A -2.1260
326 L A 0.0000
327 S A -0.9575
328 F A 0.0000
329 T A -1.3477
330 E A -2.5676
331 E A -2.6190
332 G A 0.0000
333 Y A 0.0000
334 Q A 0.0000
335 V A -0.4642
336 H A -1.2547
337 P A 0.0000
338 R A -1.6861
339 L A 0.0000
340 V A 0.0000
341 V A 0.0000
342 I A 0.0000
343 V A 0.0000
344 L A 0.0000
345 N A -2.7021
346 K A -3.3064
347 D A -3.4936
348 R A -3.2167
349 E A -3.2596
350 W A 0.0000
351 E A -1.2333
352 K A -1.0527
353 V A 0.0000
354 G A 0.0000
355 K A -0.8304
356 W A -1.0440
357 E A -1.7999
358 N A -2.1885
359 H A -1.8879
360 T A -1.0607
361 L A -0.5904
362 S A -0.6818
363 L A -0.8843
364 R A -1.8550
365 H A -0.8730
366 A A -0.2829
367 V A 0.1356
368 W A 0.0000
369 P A -0.2170
370 R A -0.5767
371 Y A 0.0000
372 K A -1.5582
373 S A -1.0798
374 F A -0.9354
375 S A -1.5017
376 D A -2.0517
377 C A -1.2099
378 E A -2.5263
379 P A -2.1960
380 D A -2.3812
381 D A -2.9538
382 N A -2.4584
383 H A -1.4769
384 L A -0.2457
385 S A 0.1353
386 I A 0.0000
387 V A 0.0000
388 T A 0.0000
389 L A 0.0000
390 E A -1.9905
391 E A -1.4747
392 A A -0.3032
393 P A -0.0194
394 F A 0.2898
395 V A 0.0000
396 I A 0.0950
397 V A -0.8433
398 E A -1.6762
399 D A -2.3500
400 I A -1.0311
401 D A -0.9103
402 P A -0.5340
403 L A 0.9720
404 T A 0.3601
405 E A -1.6141
406 T A 0.0000
407 C A -0.7154
408 V A 0.4627
409 R A -1.5946
410 N A -1.9604
411 T A -1.1068
412 V A 0.0000
413 P A -0.5338
414 C A 0.0000
415 R A -0.2860
416 K A -0.2322
417 F A 0.5132
418 V A 0.6698
419 K A -1.3570
420 I A 0.2287
421 N A -1.9588
422 N A -2.4262
423 S A -1.7235
424 T A -2.0343
425 N A -2.5496
426 E A -2.5053
427 G A -0.8784
428 M A 0.7302
429 N A -0.0328
430 V A 0.2378
431 K A -0.9367
432 K A -1.2499
433 C A 0.0000
434 C A 0.0000
435 K A -0.6004
436 G A -0.0383
437 F A 0.9748
438 C A 0.0000
439 I A 0.0000
440 D A -1.3884
441 I A -0.0667
442 L A 0.0000
443 K A -1.7738
444 K A -2.1953
445 L A -0.5243
446 S A -1.2547
447 R A -2.3077
448 T A -0.8078
449 V A 0.2831
450 K A -1.7043
451 F A -1.0988
452 T A -0.9675
453 Y A -0.0302
454 D A -0.0311
455 L A 0.0000
456 Y A -0.1606
457 L A 0.0000
458 V A 0.0000
459 T A -0.8920
460 N A -1.7816
461 G A -2.1623
462 K A -2.7950
463 H A -1.8381
464 G A -1.9733
465 K A -2.7596
466 K A -2.1506
467 V A -0.7947
468 N A -1.4261
469 N A -1.3851
470 V A 0.3579
471 W A 0.0000
472 N A -1.0447
473 G A 0.0000
474 M A 0.0000
475 I A 0.0000
476 G A 0.0000
477 E A 0.0000
478 V A 0.5974
479 V A 1.1012
480 Y A 0.3223
481 Q A -0.8865
482 R A -1.5095
483 A A 0.0000
484 V A 1.4778
485 M A 0.8774
486 A A 0.7542
487 V A 0.3736
488 G A 0.0000
489 S A 0.1925
490 L A 0.5001
491 T A 0.2229
492 I A 0.6027
493 N A -1.8043
494 E A -3.2732
495 E A -3.6764
496 R A -2.6022
497 S A -2.3118
498 E A -2.9722
499 V A -0.8845
500 V A -0.7788
501 D A -1.5009
502 F A 0.1016
503 S A 0.9554
504 V A 2.3993
505 P A 1.6149
506 F A 2.0871
507 V A 0.8908
508 E A -1.2130
509 T A -0.2671
510 G A 0.2395
511 I A 2.0411
512 S A 1.7260
513 V A 3.0245
514 M A 2.4728
515 V A 2.1137
516 S A -0.2122
517 R A -1.8368
518 S A -1.6739
519 N A -1.8425
520 G A -0.9401
521 T A 0.1487
522 V A 1.4993
523 S A 0.5110
524 P A 0.4351
525 S A 0.5534
526 A A 1.1560
527 F A 2.4332
528 L A 1.9500
529 E A -0.1011
530 P A 0.6810
531 F A 1.7876
532 S A 0.4492
533 A A 0.2683
534 S A 0.0674
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Laboratory of Theory of Biopolymers 2018