Project name: T12501160026

Status: done

Started: 2026-08-18 04:35:35
Chain sequence(s) A: MLQASAQKLDPREEHYWIESPRQGLQLFLRHLPPTASQAPEVRPVIYVHGATFPSALSIAHRFDGYSWRDALCDAGFDVWSFDFLGYGYSDRYPEMSEPAGANSALCRAQDGSEQLEAAVRFILQHLAIPSLSIISHSWASMPTCRFAGRHPTMVDRIVLFAPIARRAPRRYEGPPPAPAWRFVTIEDQWARFVEDVPPRAPSVLSRVHFAEWGERYLDTDPESHTRSPAGVKIPTGPFVDILHAWHGEFACDPAQVRAPVAIIRGEWDGLIPDQDARWLFDAFAASPNKRDIKISRGTHLMHLEEMRYALYRESISFLMGDDQASATKSITTAHRPSSQQGAQTMDAPREQQQQQIPGYDLGTDKVAKSPISMQEWEELKKSALFSQEDVVYLRLSEDLLKDHVEDLLDAWRGIVFDLPHLSAYYQDPNSHQVDTEYAKAVRKRFGQWILDTARANYDQAWLDYQYEIGLRHHRTKKNKTDNGHTLGHLRGRDIFAFVPSIVIPIKPYLATSGYSREVVESMYQAWWKSMVLQATLWCQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter 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]       FoldX:    Starting FoldX energy minimization                                          (00:00:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:02)
Show buried residues

Minimal score value
-3.8484
Maximal score value
1.6856
Average score
-0.8128
Total score value
-438.9096

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.8405
2 L A 0.1640
3 Q A -0.8334
4 A A -0.3440
5 S A -0.6420
6 A A -1.1423
7 Q A -2.1260
8 K A -2.5947
9 L A -1.1999
10 D A 0.0000
11 P A -1.4046
12 R A -1.7297
13 E A 0.0000
14 E A -1.7129
15 H A -1.1012
16 Y A -0.0663
17 W A -0.3009
18 I A -0.5696
19 E A -2.1983
20 S A -1.6732
21 P A -1.3397
22 R A -1.7020
23 Q A -2.0524
24 G A -1.6267
25 L A -1.4558
26 Q A -1.5294
27 L A 0.0000
28 F A 0.0000
29 L A 0.0000
30 R A 0.0000
31 H A 0.0000
32 L A 0.0000
33 P A -0.3570
34 P A -0.2389
35 T A -0.4551
36 A A -0.5689
37 S A -0.6643
38 Q A -1.4504
39 A A -0.9826
40 P A -1.1345
41 E A -1.3379
42 V A 0.6183
43 R A -0.0307
44 P A 0.0000
45 V A 0.0000
46 I A 0.0000
47 Y A 0.0000
48 V A 0.0000
49 H A 0.0000
50 G A 0.0000
51 A A 0.0000
52 T A 0.0000
53 F A 0.0000
54 P A 0.0000
55 S A 0.0000
56 A A 0.0000
57 L A 0.0000
58 S A 0.0000
59 I A 0.0000
60 A A 0.0000
61 H A 0.0000
62 R A -1.1783
63 F A 0.0000
64 D A -2.1610
65 G A -1.6612
66 Y A -1.0367
67 S A 0.0000
68 W A 0.0000
69 R A 0.0000
70 D A 0.0000
71 A A 0.0000
72 L A 0.0000
73 C A 0.0000
74 D A -0.2359
75 A A -0.1402
76 G A 0.0000
77 F A 0.0000
78 D A 0.0000
79 V A 0.0000
80 W A 0.0000
81 S A 0.0000
82 F A 0.0000
83 D A 0.0000
84 F A 0.0000
85 L A 0.0000
86 G A 0.0000
87 Y A 0.0000
88 G A -0.3203
89 Y A -0.2544
90 S A 0.0000
91 D A -0.8360
92 R A -0.8641
93 Y A 0.0000
94 P A -0.9449
95 E A -1.3447
96 M A 0.0000
97 S A -1.1693
98 E A -1.8024
99 P A -1.1688
100 A A -0.9877
101 G A -1.0524
102 A A -0.8418
103 N A -0.9228
104 S A -0.5957
105 A A -0.4163
106 L A -0.2307
107 C A 0.0000
108 R A -0.7848
109 A A 0.0000
110 Q A -1.1076
111 D A -0.9377
112 G A 0.0000
113 S A 0.0000
114 E A -0.9060
115 Q A 0.0000
116 L A 0.0000
117 E A -0.9898
118 A A -1.0046
119 A A 0.0000
120 V A 0.0000
121 R A -2.0737
122 F A -1.1385
123 I A 0.0000
124 L A 0.0000
125 Q A -1.7039
126 H A -1.1753
127 L A 0.0786
128 A A -0.2304
129 I A 0.0680
130 P A -0.5435
131 S A -0.7502
132 L A 0.0000
133 S A 0.0000
134 I A 0.0000
135 I A 0.0000
136 S A 0.0000
137 H A 0.0000
138 S A 0.0000
139 W A 0.0000
140 A A 0.0000
141 S A 0.0000
142 M A 0.0000
143 P A 0.0000
144 T A 0.0000
145 C A 0.0000
146 R A -1.3837
147 F A 0.0000
148 A A 0.0000
149 G A -1.6675
150 R A -1.4794
151 H A -1.0408
152 P A -1.2497
153 T A -0.7674
154 M A -0.7079
155 V A 0.0000
156 D A -1.5939
157 R A 0.0000
158 I A 0.0000
159 V A 0.0000
160 L A 0.0000
161 F A 0.0000
162 A A 0.0000
163 P A 0.0000
164 I A 0.0000
165 A A 0.0000
166 R A -1.2620
167 R A -1.2330
168 A A -1.1388
169 P A -1.8490
170 R A -2.4595
171 R A -2.4168
172 Y A -0.8694
173 E A -2.4020
174 G A -1.6226
175 P A -1.1308
176 P A -0.7281
177 P A -0.5402
178 A A -0.3976
179 P A -0.6274
180 A A 0.0000
181 W A -0.6212
182 R A -0.6217
183 F A 0.2055
184 V A 0.0000
185 T A -0.6386
186 I A -1.0026
187 E A -2.0104
188 D A -1.4255
189 Q A 0.0000
190 W A -1.1052
191 A A -1.2451
192 R A -1.3318
193 F A 0.0000
194 V A -0.5735
195 E A -1.9363
196 D A -1.5605
197 V A -1.2870
198 P A -1.1493
199 P A -1.4296
200 R A -2.0336
201 A A -1.3417
202 P A -1.0356
203 S A -1.1913
204 V A 0.0000
205 L A 0.0000
206 S A -0.7846
207 R A -1.3380
208 V A 0.3320
209 H A -0.8648
210 F A 0.0000
211 A A -1.2160
212 E A -2.3675
213 W A 0.0000
214 G A 0.0000
215 E A -3.0099
216 R A -2.3112
217 Y A 0.0000
218 L A -1.8779
219 D A -2.7771
220 T A -1.4222
221 D A 0.0000
222 P A -1.7547
223 E A -2.5643
224 S A 0.0000
225 H A -2.1731
226 T A -1.3703
227 R A -1.0450
228 S A -0.6733
229 P A -0.6903
230 A A -0.8732
231 G A 0.0000
232 V A 0.0000
233 K A -0.4405
234 I A 0.0000
235 P A 0.0000
236 T A 0.0000
237 G A 0.0000
238 P A 0.0000
239 F A 0.5283
240 V A 0.0000
241 D A 0.0000
242 I A 0.0000
243 L A 0.0477
244 H A -0.7679
245 A A 0.0000
246 W A -0.7623
247 H A 0.0000
248 G A -1.4453
249 E A -1.9526
250 F A -1.1259
251 A A -0.9733
252 C A -1.1205
253 D A -1.3710
254 P A 0.0000
255 A A -1.2248
256 Q A -1.8854
257 V A 0.0000
258 R A -2.3600
259 A A 0.0000
260 P A -1.2855
261 V A 0.0000
262 A A 0.0000
263 I A 0.0000
264 I A 0.0000
265 R A 0.0000
266 G A 0.0000
267 E A -2.3415
268 W A -1.4532
269 D A 0.0000
270 G A -0.8691
271 L A -0.0179
272 I A 0.0000
273 P A -1.5611
274 D A -2.4973
275 Q A -2.2497
276 D A 0.0000
277 A A 0.0000
278 R A -2.7413
279 W A -1.6466
280 L A 0.0000
281 F A -1.5327
282 D A -2.0090
283 A A -1.2398
284 F A 0.0000
285 A A -0.8647
286 A A -1.0682
287 S A -1.3121
288 P A -0.9594
289 N A -1.3295
290 K A -1.5197
291 R A -1.6646
292 D A -1.6234
293 I A -1.2628
294 K A -2.3404
295 I A 0.0000
296 S A -1.7237
297 R A -2.6980
298 G A 0.0000
299 T A 0.0000
300 H A 0.0000
301 L A 0.0000
302 M A 0.0000
303 H A 0.0000
304 L A 0.0000
305 E A 0.0000
306 E A -2.2269
307 M A -1.3147
308 R A 0.0000
309 Y A 0.0000
310 A A -0.6826
311 L A 0.0000
312 Y A 0.0000
313 R A -0.9667
314 E A -1.0947
315 S A 0.0000
316 I A 0.0000
317 S A -0.8661
318 F A 0.0000
319 L A 0.0000
320 M A -0.4180
321 G A -1.4181
322 D A -2.4180
323 D A -2.0118
324 Q A -2.0084
325 A A -1.0600
326 S A -1.1107
327 A A -0.7375
328 T A -0.6779
329 K A -1.3088
330 S A -0.1019
331 I A 1.3813
332 T A 0.4800
333 T A 0.0161
334 A A -0.6835
335 H A -1.9672
336 R A -2.4846
337 P A -1.6597
338 S A -1.1695
339 S A -1.2251
340 Q A -2.0900
341 Q A -2.0798
342 G A -1.5093
343 A A -1.1340
344 Q A -1.2468
345 T A -0.6309
346 M A -0.1491
347 D A -1.6675
348 A A -1.3867
349 P A -1.9969
350 R A -3.5733
351 E A -3.8484
352 Q A -3.6612
353 Q A -3.7013
354 Q A -3.2474
355 Q A -2.8245
356 Q A -2.2681
357 I A -1.2255
358 P A -0.8330
359 G A -0.7630
360 Y A -0.3380
361 D A 0.0000
362 L A -0.2680
363 G A -1.0413
364 T A -1.4873
365 D A -2.8150
366 K A -2.6723
367 V A -1.5354
368 A A -1.4141
369 K A -2.1075
370 S A -0.8117
371 P A -0.7933
372 I A -0.8284
373 S A -1.4246
374 M A -1.5188
375 Q A -2.6713
376 E A -3.1437
377 W A 0.0000
378 E A -3.7416
379 E A -3.7859
380 L A -2.1264
381 K A -2.2025
382 K A -2.4700
383 S A -1.2566
384 A A -0.0786
385 L A 0.5615
386 F A 0.0000
387 S A -0.8532
388 Q A -0.9837
389 E A -1.0264
390 D A 0.0000
391 V A 0.0000
392 V A 0.0000
393 Y A -0.6339
394 L A 0.0000
395 R A -1.9358
396 L A -0.9840
397 S A 0.0000
398 E A -2.6405
399 D A -3.0989
400 L A -1.7953
401 L A 0.0000
402 K A -3.5314
403 D A -3.5518
404 H A -2.9258
405 V A 0.0000
406 E A -3.6732
407 D A -3.0795
408 L A 0.0000
409 L A 0.0000
410 D A -3.0508
411 A A -1.6714
412 W A 0.0000
413 R A -1.5757
414 G A -1.1796
415 I A -0.3753
416 V A -0.3206
417 F A -0.1556
418 D A -1.3717
419 L A -0.4350
420 P A -0.5893
421 H A -0.8014
422 L A 0.0000
423 S A 0.0000
424 A A -0.2752
425 Y A 0.0000
426 Y A -0.2809
427 Q A -1.1461
428 D A -1.7020
429 P A -1.4413
430 N A -2.0669
431 S A -1.7367
432 H A -2.0432
433 Q A -1.9739
434 V A -0.8034
435 D A -1.5620
436 T A -1.5949
437 E A -2.7483
438 Y A 0.0000
439 A A 0.0000
440 K A -2.7408
441 A A -1.7517
442 V A -1.0579
443 R A -2.0709
444 K A -1.9085
445 R A -0.8363
446 F A -0.3245
447 G A 0.0000
448 Q A -0.5249
449 W A 0.0000
450 I A 0.0000
451 L A -1.1240
452 D A 0.0000
453 T A 0.0000
454 A A 0.0000
455 R A -2.3576
456 A A 0.0000
457 N A -1.8829
458 Y A -1.2059
459 D A -1.3164
460 Q A -1.2366
461 A A -1.0883
462 W A 0.0000
463 L A 0.0000
464 D A 0.0000
465 Y A 0.0000
466 Q A 0.0000
467 Y A -0.0493
468 E A 0.0000
469 I A 0.2090
470 G A 0.0000
471 L A -0.6630
472 R A -1.1717
473 H A -1.1669
474 H A -1.8841
475 R A -2.7326
476 T A -1.6663
477 K A -1.8466
478 K A 0.0000
479 N A -2.2939
480 K A -2.9240
481 T A -1.5775
482 D A -2.2061
483 N A -2.5816
484 G A 0.0000
485 H A -2.0911
486 T A 0.0000
487 L A -0.4143
488 G A -1.3878
489 H A -1.5894
490 L A -1.2852
491 R A -1.9156
492 G A -1.4652
493 R A -1.8124
494 D A 0.0000
495 I A 0.0000
496 F A 0.5551
497 A A 0.1152
498 F A 0.3602
499 V A 0.0000
500 P A 0.8356
501 S A 0.7649
502 I A 0.0000
503 V A 0.0000
504 I A 1.6856
505 P A 0.5256
506 I A 0.0000
507 K A -0.2069
508 P A -0.1302
509 Y A -0.4153
510 L A 0.0000
511 A A -0.5738
512 T A -0.1102
513 S A -0.2435
514 G A -0.6043
515 Y A -0.8114
516 S A -1.6545
517 R A -2.9074
518 E A -2.9507
519 V A 0.0000
520 V A 0.0000
521 E A -1.9621
522 S A -1.2872
523 M A 0.0000
524 Y A -0.4573
525 Q A -0.8396
526 A A 0.0000
527 W A 0.0000
528 W A 0.3493
529 K A 0.1491
530 S A 0.0000
531 M A 0.0000
532 V A 1.1157
533 L A 0.0000
534 Q A 0.0000
535 A A 0.0000
536 T A 0.2303
537 L A 0.0000
538 W A 0.0000
539 C A -0.6441
540 Q A -1.0417
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