Project name: 35a50de435bd296

Status: done

Started: 2026-07-29 18:45:37
Settings
Chain sequence(s) A: MDINHQNQCIPYNCLSNPDAILLDAERLETGNTVADISLGLINFLYSNFVPGGGFIVGLLELIWGFVGPSQWEIFLAQIEQLISQRIEEFARNQAISRLEGLSNNYEIYTETFRAWEKDPSNPALREEMRTQFNVMNSALIAAIPLLRVRNYEVALLSVYVQAANLHLSVLRDVSVYGQRWGFDPATVNSRYSDLTRLIHVYTDHCVDTYNDGLKNLEGSRLSDWVVYNRFRRRLTISVLDIIAFFPNYDIEAYPIQTASQLTREVYLDLPFVNETLSPPASYPTFSAAESAIIRSPHLVDFLNSFTIYTDSLASYAYWGGHLVNSFRTGTTTNLIRSPLYGREGNTERPVTISASPSVPIFRTLSYFTGLNNNNPVAGIEGVEFQNTISRSIYRKSGPIDSFSELPPQDVSVSPAIGYSHRLCHATFLERISGPRIAGTVFSWTHRSASPINMIDSKKITQLPLVKAYKLQSGASVVAGPRFTGGDIIQCTENGSAATIYVTPDVSYSQKYRARIHYASTSQITFTLSLDGAPFNQYYFDKTINKGDTLTYNSFNLASFSTPFELSGNNLQIGVTGLSAGDKVYIDKIEFIPVN
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                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:45)
Show buried residues

Minimal score value
-3.6106
Maximal score value
2.5505
Average score
-0.4678
Total score value
-278.3121

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 0.5714
2 D A -0.3945
3 I A 0.4472
4 N A -1.4596
5 H A -2.1514
6 Q A -2.8227
7 N A -2.5146
8 Q A -1.3795
9 C A 0.7790
10 I A 2.2575
11 P A 1.2013
12 Y A 1.3472
13 N A -0.0338
14 C A 0.9743
15 L A 1.3687
16 S A -0.0798
17 N A -1.4302
18 P A -1.3383
19 D A -1.4041
20 A A 0.6079
21 I A 2.4580
22 L A 2.5505
23 L A 1.7768
24 D A -1.0850
25 A A -1.3058
26 E A -2.8274
27 R A -2.7953
28 L A -0.8566
29 E A -2.0344
30 T A -1.0085
31 G A -0.8116
32 N A -0.7094
33 T A -0.3418
34 V A 0.0000
35 A A 0.0000
36 D A -0.7635
37 I A 0.0000
38 S A 0.0000
39 L A 0.0000
40 G A -0.2717
41 L A 0.0000
42 I A 0.0000
43 N A -0.5034
44 F A 0.0000
45 L A 0.0000
46 Y A 0.1427
47 S A -0.2046
48 N A -0.5258
49 F A 0.0000
50 V A 0.4502
51 P A 0.3109
52 G A -0.2380
53 G A -0.7218
54 G A -0.4672
55 F A 0.0000
56 I A 0.0000
57 V A -0.8065
58 G A 0.0000
59 L A 0.0000
60 L A -0.6983
61 E A -1.3018
62 L A -0.0564
63 I A 0.0000
64 W A 0.0000
65 G A -0.6756
66 F A 1.0533
67 V A 0.0000
68 G A -0.3921
69 P A -1.0064
70 S A -0.6606
71 Q A -0.3134
72 W A 0.0000
73 E A -1.1508
74 I A 0.1892
75 F A 0.0000
76 L A 0.0000
77 A A -0.8092
78 Q A -0.4473
79 I A 0.0000
80 E A -1.3957
81 Q A -1.6952
82 L A 0.0000
83 I A -0.7444
84 S A -1.2003
85 Q A -1.9108
86 R A -2.8457
87 I A 0.0000
88 E A -1.9525
89 E A -1.9752
90 F A 0.3027
91 A A 0.0000
92 R A -1.4570
93 N A -1.5991
94 Q A -0.8541
95 A A 0.0000
96 I A 0.0000
97 S A -1.2512
98 R A -1.2101
99 L A 0.0000
100 E A -1.6236
101 G A -1.2188
102 L A 0.0000
103 S A -1.0762
104 N A -1.6188
105 N A -0.6074
106 Y A 0.0000
107 E A -1.7325
108 I A 0.0794
109 Y A 0.0000
110 T A 0.0000
111 E A -1.9021
112 T A 0.0000
113 F A 0.0000
114 R A -2.0540
115 A A -2.0829
116 W A 0.0000
117 E A -2.8277
118 K A -2.8972
119 D A -2.3647
120 P A -2.0594
121 S A -1.4902
122 N A -1.4630
123 P A -1.3957
124 A A -1.3013
125 L A -1.8924
126 R A -2.7802
127 E A -2.9587
128 E A -2.6928
129 M A 0.0000
130 R A -1.8142
131 T A -1.4815
132 Q A 0.0000
133 F A 0.0000
134 N A -1.1730
135 V A 0.0615
136 M A 0.0000
137 N A 0.0000
138 S A 0.4604
139 A A 0.4707
140 L A 0.0000
141 I A 1.9694
142 A A 0.9304
143 A A 0.0000
144 I A 0.0000
145 P A -0.0595
146 L A -0.0216
147 L A 0.0000
148 R A -1.2384
149 V A -1.0932
150 R A -2.3944
151 N A -2.2300
152 Y A -1.5470
153 E A -1.4578
154 V A -0.9552
155 A A 0.0000
156 L A 0.0000
157 L A 0.0000
158 S A 0.0000
159 V A 0.0000
160 Y A 0.0000
161 V A 0.0000
162 Q A 0.0000
163 A A 0.0000
164 A A 0.0000
165 N A 0.0000
166 L A 0.0000
167 H A 0.0000
168 L A 0.0000
169 S A 0.0000
170 V A 0.0000
171 L A 0.0000
172 R A 0.0000
173 D A 0.0000
174 V A 0.0000
175 S A -0.3336
176 V A 0.1619
177 Y A -0.4761
178 G A 0.0000
179 Q A -2.2693
180 R A -2.5487
181 W A 0.0000
182 G A -2.1663
183 F A -1.7715
184 D A -2.1885
185 P A -1.5769
186 A A -1.1098
187 T A -1.1396
188 V A 0.0000
189 N A -1.7045
190 S A -0.9897
191 R A -1.1122
192 Y A -0.9390
193 S A -0.9711
194 D A -1.0453
195 L A 0.0000
196 T A -0.8498
197 R A -1.3110
198 L A -0.1766
199 I A 0.0000
200 H A -0.3904
201 V A 0.4819
202 Y A 0.0000
203 T A 0.0000
204 D A -0.7747
205 H A -0.7623
206 C A 0.0000
207 V A -1.3396
208 D A -2.5194
209 T A 0.0000
210 Y A 0.0000
211 N A -2.4924
212 D A -3.2991
213 G A 0.0000
214 L A 0.0000
215 K A -3.6106
216 N A -3.0818
217 L A -2.1438
218 E A -3.0771
219 G A -2.1671
220 S A -1.6885
221 R A -2.3556
222 L A 0.0000
223 S A -0.9054
224 D A -1.2502
225 W A 0.0000
226 V A 0.0000
227 V A -0.0785
228 Y A 0.0000
229 N A 0.0000
230 R A -0.2943
231 F A 0.0000
232 R A -0.3589
233 R A 0.0000
234 R A -0.5150
235 L A 0.0000
236 T A 0.0000
237 I A 0.0000
238 S A 0.0000
239 V A 0.0000
240 L A 0.0000
241 D A 0.0000
242 I A 0.0000
243 I A 0.0000
244 A A 0.0000
245 F A 0.0000
246 F A 0.0000
247 P A -0.0961
248 N A 0.0000
249 Y A 0.0000
250 D A -0.7073
251 I A -0.4276
252 E A -1.6270
253 A A -0.7659
254 Y A 0.0000
255 P A -0.2456
256 I A 0.1895
257 Q A -0.1868
258 T A 0.0000
259 A A -0.0781
260 S A 0.0000
261 Q A 0.0000
262 L A 0.0000
263 T A 0.0000
264 R A -0.6478
265 E A -0.6917
266 V A 0.0000
267 Y A 0.0000
268 L A -0.0947
269 D A -0.2982
270 L A 0.0000
271 P A 0.0000
272 F A 0.0000
273 V A 0.5183
274 N A -1.0125
275 E A -0.9011
276 T A -0.7219
277 L A 0.0000
278 S A -0.5174
279 P A -0.4638
280 P A -0.8795
281 A A -0.4289
282 S A -0.5317
283 Y A -0.5695
284 P A -0.7509
285 T A -0.9600
286 F A 0.0000
287 S A -0.9679
288 A A -0.7041
289 A A 0.0000
290 E A -0.4826
291 S A -0.4227
292 A A -0.4630
293 I A 0.0000
294 I A -0.0679
295 R A -0.4978
296 S A -0.4105
297 P A -0.5266
298 H A -0.6028
299 L A 0.0000
300 V A 0.0000
301 D A 0.0000
302 F A 0.0000
303 L A 0.0000
304 N A -0.3405
305 S A 0.0000
306 F A 0.0000
307 T A 0.0081
308 I A 0.0000
309 Y A 0.0000
310 T A 0.0000
311 D A -1.2404
312 S A -0.1494
313 L A 0.3378
314 A A 0.2061
315 S A 0.0683
316 Y A 0.1598
317 A A -0.0978
318 Y A 0.0000
319 W A 0.0000
320 G A 0.0000
321 G A 0.0000
322 H A 0.0000
323 L A -0.3339
324 V A 0.0000
325 N A 0.0000
326 S A 0.0000
327 F A 0.0000
328 R A -0.3045
329 T A 0.0000
330 G A 0.1775
331 T A -0.1558
332 T A -0.3479
333 T A -0.4344
334 N A -0.8993
335 L A 0.0788
336 I A -0.0774
337 R A -1.2918
338 S A -0.4285
339 P A -0.0791
340 L A -0.0417
341 Y A -0.4396
342 G A -1.4528
343 R A -2.9689
344 E A -2.8893
345 G A 0.0000
346 N A -2.6668
347 T A -1.5247
348 E A -1.9924
349 R A -2.3889
350 P A -1.4306
351 V A -0.2497
352 T A -0.0288
353 I A 0.0000
354 S A -0.2911
355 A A 0.0000
356 S A -0.2707
357 P A -0.1588
358 S A 0.0585
359 V A 0.4705
360 P A 0.0000
361 I A 0.0000
362 F A 0.0000
363 R A -0.6144
364 T A 0.0000
365 L A 0.2062
366 S A 0.0000
367 Y A 0.1601
368 F A 0.0000
369 T A 0.0000
370 G A -0.3844
371 L A 0.1620
372 N A -1.0575
373 N A -1.9956
374 N A -2.0211
375 N A -1.1939
376 P A -0.8569
377 V A 0.0000
378 A A -0.3359
379 G A 0.0000
380 I A 0.0000
381 E A -0.3256
382 G A 0.0000
383 V A 0.0000
384 E A 0.0000
385 F A 0.0000
386 Q A -0.6488
387 N A -0.2715
388 T A 0.8936
389 I A 1.5168
390 S A -0.2068
391 R A -1.4895
392 S A -0.7369
393 I A 0.2328
394 Y A 0.0000
395 R A -0.9206
396 K A -0.7713
397 S A -0.2344
398 G A -0.0434
399 P A 0.1497
400 I A 0.5826
401 D A -0.2914
402 S A 0.0000
403 F A 0.0000
404 S A -0.5522
405 E A -0.5887
406 L A 0.0000
407 P A 0.0000
408 P A 0.0000
409 Q A -0.1430
410 D A 0.2885
411 V A 1.6025
412 S A 0.9302
413 V A 1.4238
414 S A 1.0133
415 P A 0.7382
416 A A 1.2177
417 I A 2.0715
418 G A 0.0000
419 Y A 0.0000
420 S A 0.0000
421 H A 0.0000
422 R A 0.0000
423 L A 0.0000
424 C A 0.0000
425 H A 0.0000
426 A A 0.0000
427 T A 0.0000
428 F A 0.0000
429 L A 0.0000
430 E A -1.8528
431 R A -0.5472
432 I A 1.0142
433 S A 0.0956
434 G A -0.3709
435 P A -0.3525
436 R A -0.4198
437 I A 0.0000
438 A A 0.0000
439 G A 0.0000
440 T A 0.0000
441 V A 0.0000
442 F A 0.0000
443 S A 0.0000
444 W A 0.0000
445 T A 0.0000
446 H A 0.0000
447 R A -0.5163
448 S A 0.0000
449 A A 0.0000
450 S A 0.0568
451 P A 0.0485
452 I A 0.6645
453 N A 0.0000
454 M A 0.4566
455 I A 0.0000
456 D A -1.0543
457 S A -1.3604
458 K A -2.1991
459 K A -1.3285
460 I A 0.0000
461 T A 0.0000
462 Q A 0.0000
463 L A 0.0000
464 P A 0.0000
465 L A 0.0000
466 V A 0.0000
467 K A 0.0000
468 A A 0.0000
469 Y A -0.4640
470 K A -1.2434
471 L A -0.9088
472 Q A -1.4618
473 S A -1.2093
474 G A -1.4564
475 A A -1.1363
476 S A -0.3468
477 V A 0.0000
478 V A 0.0108
479 A A -0.2043
480 G A 0.0000
481 P A -0.2629
482 R A -0.9094
483 F A 0.0000
484 T A 0.0000
485 G A 0.0000
486 G A -0.5213
487 D A -0.6209
488 I A 0.0000
489 I A 0.0000
490 Q A -0.5003
491 C A 0.0000
492 T A -1.6181
493 E A -2.9567
494 N A -2.5794
495 G A -1.7278
496 S A -1.1353
497 A A 0.0000
498 A A 0.0000
499 T A 0.0000
500 I A 0.0000
501 Y A -0.0640
502 V A 0.0000
503 T A 0.2539
504 P A -0.0573
505 D A -0.5606
506 V A 0.7764
507 S A 0.4035
508 Y A 0.6711
509 S A -0.1585
510 Q A -0.7861
511 K A -1.5024
512 Y A 0.0000
513 R A -0.9256
514 A A 0.0000
515 R A 0.0000
516 I A 0.0000
517 H A -0.3560
518 Y A 0.0000
519 A A 0.0000
520 S A 0.0000
521 T A 0.0000
522 S A -2.1882
523 Q A -2.2778
524 I A 0.0000
525 T A -0.1350
526 F A 0.0000
527 T A -0.2555
528 L A 0.0000
529 S A -0.9507
530 L A 0.0000
531 D A -2.3220
532 G A -1.4699
533 A A -0.8350
534 P A -0.6751
535 F A -0.1414
536 N A 0.0000
537 Q A -0.4678
538 Y A 0.9585
539 Y A 0.6877
540 F A 0.0000
541 D A -2.7756
542 K A -2.8317
543 T A -1.9774
544 I A 0.0000
545 N A -2.8386
546 K A -3.0427
547 G A -2.2013
548 D A -2.2349
549 T A -0.9765
550 L A -0.3650
551 T A -0.7675
552 Y A -0.6104
553 N A -1.5121
554 S A 0.0000
555 F A 0.0000
556 N A -1.7179
557 L A -0.2639
558 A A 0.0000
559 S A -0.0709
560 F A 0.0000
561 S A -0.4623
562 T A -0.5714
563 P A -0.7574
564 F A 0.0000
565 E A -1.2848
566 L A 0.0000
567 S A -0.5972
568 G A 0.0000
569 N A -0.7290
570 N A -1.2640
571 L A 0.0000
572 Q A -1.0544
573 I A 0.0000
574 G A -0.8164
575 V A 0.0000
576 T A -1.1786
577 G A -1.1762
578 L A 0.0000
579 S A -1.1054
580 A A -0.6307
581 G A -1.1250
582 D A 0.0000
583 K A -1.5374
584 V A 0.0000
585 Y A 0.0000
586 I A 0.0000
587 D A 0.0000
588 K A 0.0000
589 I A 0.0000
590 E A 0.0000
591 F A 0.0000
592 I A -0.5309
593 P A -0.9795
594 V A -0.8863
595 N A -1.4213
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Laboratory of Theory of Biopolymers 2018