Project name: T12501230007

Status: done

Started: 2026-08-18 04:36:25
Chain sequence(s) A: MSASDLRKDPTRPLTGAEYLESLRDGREVWIFGERVEDVTTHPAFRNAARSIAELYDAQHDPETRDLLSTPLDDGSGGWTHRFFQPPRSREDLLAQRDAIERWARLTYGWMGRTPDYKASFATALGEAPELFGEYADNARRWFDLCQENDLFWNHAIVNPQVDRSVPPEEQKDIYLRVVEETDDGIVVRGAKVVATLSPLTHELLVGPSPGGRGGDDPDYALAFAVPMDTPGVRLICRESYEEVAHERGSPFDYPLSRFFEDDNAVVVFVDDVVPWELLRLDGDDFAVPFFFTGPGFGLNFQQQFLAAKIVRLEELAGAAAEAAAINPALNFPQVQEKLAELAALEEQLDDAWIAAEEEAEPTVPGGYVPDDPLLLLARRVAPYRRRAIIDLLRRLLGGSLLLLSASENLLDDPENREELRYAASSSSGDTDAERKKLLLLDWDIGTGEAGGREEQFEQFYSGGPAAARAAAAEEYAAAGEAAAAAAALAAAGPPYDPGGPGSGGDPGLLLLLGAAAAAA
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                                          (00:00:03)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:15:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:35)
Show buried residues

Minimal score value
-3.9864
Maximal score value
3.0365
Average score
-0.696
Total score value
-361.9353

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 0.2299
2 S A -0.2960
3 A A -0.7413
4 S A -1.0123
5 D A -1.9592
6 L A -1.5305
7 R A -2.0765
8 K A -2.5375
9 D A -2.0208
10 P A -1.5174
11 T A -0.9762
12 R A -0.9635
13 P A 0.0000
14 L A 0.0000
15 T A -1.1938
16 G A 0.0000
17 A A -0.8858
18 E A 0.0000
19 Y A 0.0000
20 L A -1.1288
21 E A -2.0605
22 S A 0.0000
23 L A 0.0000
24 R A -2.5850
25 D A -1.8626
26 G A -1.8382
27 R A 0.0000
28 E A -1.3150
29 V A 0.0000
30 W A -0.1833
31 I A 0.0000
32 F A 0.9584
33 G A -0.1173
34 E A -1.3193
35 R A -1.5366
36 V A 0.0000
37 E A -2.7241
38 D A -2.1630
39 V A 0.0000
40 T A 0.0000
41 T A -0.9573
42 H A -0.8237
43 P A -0.7476
44 A A 0.0000
45 F A 0.0000
46 R A -0.9405
47 N A 0.0000
48 A A 0.0000
49 A A 0.0000
50 R A -1.6308
51 S A -1.1367
52 I A 0.0000
53 A A 0.0000
54 E A -2.5567
55 L A 0.0000
56 Y A 0.0000
57 D A -2.4185
58 A A 0.0000
59 Q A 0.0000
60 H A -2.2695
61 D A -2.8878
62 P A -2.3947
63 E A -2.9089
64 T A 0.0000
65 R A -2.8672
66 D A -2.6649
67 L A -1.5516
68 L A 0.0000
69 S A 0.0000
70 T A -0.9724
71 P A -1.1909
72 L A 0.0000
73 D A -2.9671
74 D A -3.2512
75 G A -2.1414
76 S A -1.6117
77 G A -1.3981
78 G A 0.0000
79 W A -0.9401
80 T A 0.0000
81 H A 0.0000
82 R A -0.9214
83 F A 0.0000
84 F A 0.0000
85 Q A -1.0299
86 P A -0.7178
87 P A 0.0000
88 R A -2.3703
89 S A -2.1681
90 R A -2.6844
91 E A -2.4841
92 D A -2.1249
93 L A 0.0000
94 L A -0.8574
95 A A -1.2317
96 Q A 0.0000
97 R A -1.2057
98 D A -1.6903
99 A A 0.0000
100 I A 0.0000
101 E A -1.3766
102 R A -1.3661
103 W A 0.0000
104 A A 0.0000
105 R A -0.7475
106 L A -0.3150
107 T A 0.0000
108 Y A 0.8547
109 G A 0.0000
110 W A 0.0000
111 M A 0.0000
112 G A -0.0071
113 R A 0.0000
114 T A 0.0000
115 P A 0.0000
116 D A 0.0000
117 Y A 0.0000
118 K A 0.0000
119 A A 0.0000
120 S A 0.0000
121 F A 0.0000
122 A A 0.0000
123 T A 0.0000
124 A A 0.0000
125 L A 0.0000
126 G A -1.4454
127 E A 0.0000
128 A A 0.0000
129 P A 0.0000
130 E A -2.3447
131 L A -0.4174
132 F A 0.0000
133 G A -1.8613
134 E A -2.5085
135 Y A -2.2365
136 A A -2.6251
137 D A -3.6163
138 N A 0.0000
139 A A 0.0000
140 R A -3.5583
141 R A -3.1646
142 W A 0.0000
143 F A -1.6454
144 D A -2.3094
145 L A -0.9013
146 C A 0.0000
147 Q A 0.0000
148 E A -0.9730
149 N A 0.0000
150 D A 0.0000
151 L A 0.0000
152 F A 0.0000
153 W A 0.0000
154 N A 0.0000
155 H A 0.1976
156 A A 0.0000
157 I A 0.6959
158 V A 0.8999
159 N A 0.1547
160 P A -0.0043
161 Q A -1.5191
162 V A -1.5530
163 D A -2.8994
164 R A -2.7445
165 S A -1.4012
166 V A -1.3428
167 P A -1.8913
168 P A -2.6270
169 E A -3.1393
170 E A -3.1057
171 Q A -2.4200
172 K A -2.8505
173 D A -2.6005
174 I A -1.0585
175 Y A 0.0000
176 L A 0.0000
177 R A -1.4126
178 V A 0.0000
179 V A -1.4977
180 E A -2.7668
181 E A -3.1663
182 T A -2.6607
183 D A -2.9788
184 D A -2.9587
185 G A 0.0000
186 I A 0.0000
187 V A 0.0000
188 V A 0.0000
189 R A -1.1376
190 G A 0.0000
191 A A 0.2733
192 K A 0.0000
193 V A 0.0000
194 V A 1.2824
195 A A 0.0000
196 T A 0.0000
197 L A 0.0000
198 S A 0.0000
199 P A 0.0000
200 L A 0.0000
201 T A 0.0000
202 H A 0.0000
203 E A 0.0000
204 L A 0.0000
205 L A 0.0000
206 V A 0.0000
207 G A 0.0000
208 P A 0.0000
209 S A -0.1015
210 P A -0.3686
211 G A -0.7198
212 G A -1.1819
213 R A -1.7355
214 G A 0.0000
215 G A -1.9785
216 D A -2.8203
217 D A -2.5061
218 P A -1.9069
219 D A -1.9313
220 Y A 0.0000
221 A A 0.0000
222 L A 0.0000
223 A A 0.0000
224 F A 0.0000
225 A A 0.0000
226 V A 0.0000
227 P A -0.2811
228 M A 0.0000
229 D A -1.3179
230 T A -0.6876
231 P A -0.5333
232 G A -0.1788
233 V A 0.0000
234 R A -0.0781
235 L A 0.0000
236 I A 0.8792
237 C A 0.0000
238 R A -0.4062
239 E A -1.4155
240 S A 0.0000
241 Y A -0.7729
242 E A 0.0000
243 E A -1.3662
244 V A -1.4645
245 A A 0.0000
246 H A -1.7593
247 E A -2.8892
248 R A -2.8008
249 G A -1.8349
250 S A -1.0536
251 P A -0.0445
252 F A -0.1827
253 D A 0.0000
254 Y A 0.0769
255 P A 0.3005
256 L A 0.0000
257 S A 0.0000
258 R A 0.0000
259 F A 0.4806
260 F A 0.6705
261 E A 0.0000
262 D A 0.0000
263 D A 0.0000
264 N A 0.1291
265 A A 0.0000
266 V A 1.2251
267 V A 0.0000
268 V A 0.6976
269 F A 0.0000
270 V A 0.8646
271 D A -0.7207
272 D A 0.0000
273 V A -0.3155
274 V A 0.0000
275 P A -1.0150
276 W A -1.0210
277 E A -2.1502
278 L A -0.9488
279 L A 0.0000
280 R A -0.7544
281 L A 0.0000
282 D A -1.4084
283 G A -1.4608
284 D A -1.5996
285 D A -1.8527
286 F A -0.6058
287 A A 0.0000
288 V A -0.4072
289 P A -0.2133
290 F A 0.0000
291 F A 0.0000
292 F A 0.4878
293 T A 0.1801
294 G A 0.1860
295 P A 0.3798
296 G A 0.0000
297 F A 0.0000
298 G A 0.1011
299 L A 0.0568
300 N A 0.0000
301 F A 0.0000
302 Q A 0.0000
303 Q A 0.0000
304 Q A 0.0000
305 F A 0.0000
306 L A 0.0000
307 A A 0.0000
308 A A 0.0000
309 K A 0.0000
310 I A 0.0000
311 V A 0.0000
312 R A 0.0000
313 L A 0.0000
314 E A -0.7196
315 E A 0.0000
316 L A 0.0000
317 A A -0.8580
318 G A -0.9391
319 A A 0.0000
320 A A 0.0000
321 A A -0.9840
322 E A -1.8761
323 A A 0.0000
324 A A 0.0000
325 A A -0.8445
326 I A 0.0000
327 N A -0.6737
328 P A -0.4125
329 A A 0.0000
330 L A -0.1264
331 N A -0.7346
332 F A -0.1588
333 P A -1.3893
334 Q A -2.1477
335 V A 0.0000
336 Q A -2.5547
337 E A -3.3702
338 K A -2.7521
339 L A -1.6699
340 A A -1.9284
341 E A -2.6056
342 L A 0.0000
343 A A -1.5162
344 A A -1.6075
345 L A 0.0000
346 E A -2.3651
347 E A -3.3856
348 Q A -2.5124
349 L A 0.0000
350 D A -2.4101
351 D A -2.6774
352 A A 0.0000
353 W A 0.0000
354 I A -0.8168
355 A A -1.3702
356 A A 0.0000
357 E A 0.0000
358 E A -2.8373
359 E A -3.2757
360 A A 0.0000
361 E A -2.7938
362 P A -1.1579
363 T A -0.0327
364 V A 1.5182
365 P A 0.5454
366 G A -0.4770
367 G A 0.0000
368 Y A -1.2599
369 V A 0.0000
370 P A 0.0000
371 D A -1.7566
372 D A -0.9614
373 P A -0.4165
374 L A -0.1959
375 L A 0.0000
376 L A -0.0290
377 L A 0.1079
378 A A 0.0000
379 R A -0.3278
380 R A -0.7642
381 V A 0.1072
382 A A -0.3962
383 P A 0.0000
384 Y A -0.4320
385 R A -1.2151
386 R A 0.0000
387 R A -2.5681
388 A A -1.8189
389 I A 0.0000
390 I A 0.0000
391 D A -3.1672
392 L A 0.0000
393 L A 0.0000
394 R A -2.5177
395 R A -2.9337
396 L A 0.0000
397 L A 0.0000
398 G A -1.2766
399 G A -0.2000
400 S A 0.3494
401 L A 0.0000
402 L A 2.1335
403 L A 2.3307
404 L A 1.3554
405 S A 0.5384
406 A A -0.2619
407 S A -0.8492
408 E A -1.4777
409 N A -2.1163
410 L A -2.1277
411 L A -1.7885
412 D A -2.9946
413 D A -2.9701
414 P A -2.3027
415 E A -3.2477
416 N A -3.4520
417 R A -3.7331
418 E A -3.9864
419 E A -3.5862
420 L A 0.0000
421 R A -2.5750
422 Y A -0.2490
423 A A 0.3083
424 A A 0.0000
425 S A -1.3384
426 S A -1.2426
427 S A -0.7505
428 S A -0.8812
429 G A -1.2803
430 D A -1.7866
431 T A -1.7517
432 D A -1.8416
433 A A -1.5956
434 E A -2.5468
435 R A -1.9598
436 K A 0.0000
437 K A -1.2933
438 L A 0.0000
439 L A 0.0000
440 L A 0.0000
441 L A 0.2779
442 D A 0.0000
443 W A 0.2047
444 D A 0.0000
445 I A 0.0000
446 G A 0.0000
447 T A -0.7031
448 G A -0.8216
449 E A -1.8386
450 A A -0.9302
451 G A 0.0000
452 G A -1.1415
453 R A 0.0000
454 E A 0.0000
455 E A 0.0000
456 Q A -0.7139
457 F A 0.3351
458 E A 0.0000
459 Q A 0.0141
460 F A 1.4269
461 Y A 0.6647
462 S A -0.0231
463 G A 0.0809
464 G A -0.1322
465 P A -0.3304
466 A A -0.6895
467 A A -0.6746
468 A A -1.0564
469 R A -2.3508
470 A A -1.3834
471 A A -1.3372
472 A A -1.4714
473 A A -1.3041
474 E A -2.2876
475 E A -1.8388
476 Y A -0.5382
477 A A -0.8693
478 A A -0.8581
479 A A -0.7862
480 G A -0.8618
481 E A -1.5699
482 A A -0.5815
483 A A -0.2193
484 A A -0.3610
485 A A -0.0472
486 A A 0.3156
487 A A 0.3748
488 A A 0.7061
489 L A 1.2175
490 A A 0.5948
491 A A 0.4146
492 A A 0.2983
493 G A -0.0908
494 P A -0.2642
495 P A -0.3447
496 Y A -0.3989
497 D A -1.8804
498 P A -1.4820
499 G A -1.2747
500 G A -1.1947
501 P A -1.0179
502 G A -1.0595
503 S A -1.3497
504 G A -1.3799
505 G A -1.2585
506 D A -1.5815
507 P A -0.1581
508 G A 0.9176
509 L A 2.1962
510 L A 2.1463
511 L A 2.7736
512 L A 3.0365
513 L A 2.2561
514 G A 1.4014
515 A A 1.1001
516 A A 0.7725
517 A A 0.4928
518 A A 0.1004
519 A A 0.1025
520 A A 0.1529
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