Project name: T12502070005

Status: done

Started: 2026-08-18 04:37:22
Chain sequence(s) A: MPDDIANAPAGRFRGETLPSGARVWRGIRYAEPPTGDARWRDPRPAAPADDVIDAVRFGAAAPQNTNPAIDLGPDAVFAEDCLFLNVWSPADADPAGLPVMVWVHGGAYTFGSGSQPLYDGEALAARGTVVVTINYRIGALGFLDLSAKSTDAHPFDGNLALKDVLCALEWVRENIASFGGDPERVTVFGESAGAGLVTTLLAVPRAEGLFSRAIAESSPVSSVYGAARAASVTDLFLELVGESDPAALRDVAVDRIVQAGTRVFAEIPARHPGTIAFGPVIDGDLLPEAPDAVLAAGRGLPVPLLIGTNHDESSLFRMMKSPLLPIHEDDIDRMMADLAAERPDVPIPPKQQILEAYEGVRHREIGLGIARDIGFRMPTLWAVEGHARRAPVWLYRFDHATPMLHALRIGATHATELPYVWGTFGRRAHDLTFRLGGRRAAEAISDRMQQRWVSFAAGEEPNTDDAPAWPAFDAEERATLVIDTHDRVVPDLDGALRAGWGKTPLAFP
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                                          (00:12:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:22)
Show buried residues

Minimal score value
-3.7941
Maximal score value
1.7564
Average score
-0.744
Total score value
-378.7093

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 0.4048
2 P A -0.6264
3 D A -2.0482
4 D A -1.7925
5 I A -1.7426
6 A A 0.0000
7 N A -1.7094
8 A A -1.2633
9 P A -1.1022
10 A A -1.1919
11 G A 0.0000
12 R A -2.1850
13 F A 0.0000
14 R A -2.3587
15 G A 0.0000
16 E A -2.1427
17 T A -0.8712
18 L A -0.5024
19 P A -0.4555
20 S A -0.4380
21 G A -0.7556
22 A A 0.0000
23 R A -1.0836
24 V A 0.0000
25 W A 0.0000
26 R A -1.0725
27 G A -0.5536
28 I A 0.0000
29 R A -0.8409
30 Y A 0.0000
31 A A 0.0000
32 E A -2.6234
33 P A -1.5579
34 P A 0.0000
35 T A -1.2082
36 G A -1.8401
37 D A -2.4673
38 A A -1.9293
39 R A 0.0000
40 W A 0.0000
41 R A -1.7558
42 D A -1.4173
43 P A 0.0000
44 R A -2.7576
45 P A -1.9970
46 A A -1.4105
47 A A -0.9999
48 P A -1.1181
49 A A -1.5056
50 D A -2.6184
51 D A -2.5744
52 V A -1.4270
53 I A -0.9570
54 D A -2.2687
55 A A 0.0000
56 V A -1.1260
57 R A -1.9079
58 F A -0.1977
59 G A 0.1447
60 A A 0.5391
61 A A 0.0000
62 A A 0.0000
63 P A 0.0000
64 Q A 0.0000
65 N A -1.1327
66 T A -0.5929
67 N A -0.5953
68 P A -0.4880
69 A A -0.1175
70 I A -0.1363
71 D A -0.7952
72 L A -0.3209
73 G A -0.9168
74 P A -0.9925
75 D A -1.4915
76 A A 0.1595
77 V A 1.7564
78 F A 1.2533
79 A A 0.6075
80 E A -0.2338
81 D A -0.7768
82 C A 0.0000
83 L A 0.0000
84 F A -0.2454
85 L A 0.0000
86 N A 0.0000
87 V A 0.0000
88 W A 0.0000
89 S A 0.0000
90 P A -1.0714
91 A A -1.1799
92 D A -2.2737
93 A A -1.6795
94 D A -2.0579
95 P A -1.1900
96 A A -0.6001
97 G A -0.9272
98 L A -0.6557
99 P A 0.0000
100 V A 0.0000
101 M A 0.0000
102 V A 0.0000
103 W A 0.0000
104 V A 0.0000
105 H A 0.0000
106 G A 0.0000
107 G A 0.0621
108 A A 0.1175
109 Y A 0.0000
110 T A 0.0000
111 F A 0.0739
112 G A 0.0000
113 S A 0.0000
114 G A 0.0000
115 S A -0.1587
116 Q A 0.0000
117 P A -0.6927
118 L A -0.5406
119 Y A 0.0000
120 D A -0.6221
121 G A 0.0000
122 E A -0.8115
123 A A -0.6842
124 L A 0.0000
125 A A 0.0000
126 A A -0.6767
127 R A -0.7755
128 G A -0.7785
129 T A 0.0000
130 V A 0.0000
131 V A 0.0000
132 V A 0.0000
133 T A 0.0000
134 I A 0.0000
135 N A 0.0000
136 Y A 0.0000
137 R A 0.0000
138 I A 0.0000
139 G A 0.0000
140 A A 0.0000
141 L A 0.0000
142 G A 0.0000
143 F A 0.0000
144 L A 0.0000
145 D A -0.7381
146 L A 0.0000
147 S A -0.6800
148 A A -0.3518
149 K A -0.9524
150 S A -1.1175
151 T A -1.2030
152 D A -1.9268
153 A A -1.0179
154 H A -1.4761
155 P A -1.3279
156 F A 0.0000
157 D A -0.8822
158 G A -0.7203
159 N A 0.0000
160 L A 0.0000
161 A A 0.0000
162 L A 0.0000
163 K A -0.8144
164 D A 0.0000
165 V A 0.0000
166 L A 0.0000
167 C A -1.1327
168 A A 0.0000
169 L A 0.0000
170 E A -2.5364
171 W A 0.0000
172 V A 0.0000
173 R A -2.5452
174 E A -2.6047
175 N A 0.0000
176 I A 0.0000
177 A A -0.8842
178 S A -0.8096
179 F A 0.0000
180 G A -0.7310
181 G A 0.0000
182 D A -1.2817
183 P A -2.0090
184 E A -2.3678
185 R A -1.6586
186 V A 0.0000
187 T A 0.0000
188 V A 0.0000
189 F A 0.0000
190 G A 0.0000
191 E A 0.0000
192 S A -0.0345
193 A A 0.0000
194 G A 0.0000
195 A A 0.0000
196 G A 0.0000
197 L A 0.0000
198 V A 0.0000
199 T A 0.0000
200 T A 0.0000
201 L A 0.0000
202 L A 0.0000
203 A A 0.0000
204 V A 0.0000
205 P A -1.7722
206 R A -2.5351
207 A A 0.0000
208 E A -2.6110
209 G A -2.1765
210 L A 0.0000
211 F A 0.0000
212 S A -1.1686
213 R A -0.6095
214 A A 0.0000
215 I A 0.0000
216 A A 0.0000
217 E A 0.0000
218 S A 0.0000
219 S A 0.0000
220 P A -0.0683
221 V A 0.0000
222 S A -0.0741
223 S A -0.0393
224 V A 0.0000
225 Y A 0.0000
226 G A -0.3548
227 A A -0.2701
228 A A 0.0632
229 R A 0.0000
230 A A 0.0000
231 A A -0.5783
232 S A -0.6891
233 V A 0.0000
234 T A 0.0000
235 D A -2.2118
236 L A -1.5584
237 F A 0.0000
238 L A 0.0000
239 E A -2.3379
240 L A -1.6130
241 V A 0.0000
242 G A -1.5348
243 E A -1.6977
244 S A -1.8698
245 D A -2.0272
246 P A -1.3850
247 A A -1.0352
248 A A -1.3192
249 L A 0.0000
250 R A -1.7571
251 D A -2.1291
252 V A 0.0000
253 A A -1.1337
254 V A -1.1385
255 D A -2.4884
256 R A -2.3705
257 I A 0.0000
258 V A -1.6515
259 Q A -2.4622
260 A A 0.0000
261 G A 0.0000
262 T A -1.3898
263 R A -1.8841
264 V A 0.0000
265 F A -0.4808
266 A A -0.7727
267 E A -1.1559
268 I A 0.0000
269 P A 0.0000
270 A A -1.1046
271 R A -2.2945
272 H A -1.6812
273 P A 0.0000
274 G A -0.6026
275 T A 0.0000
276 I A 0.1726
277 A A 0.0000
278 F A 0.0000
279 G A 0.0000
280 P A 0.0000
281 V A 0.0000
282 I A -0.9466
283 D A -2.0152
284 G A -2.0392
285 D A -2.6716
286 L A 0.0000
287 L A 0.0000
288 P A -1.6218
289 E A -1.3147
290 A A -0.5247
291 P A 0.0000
292 D A 0.0000
293 A A -0.3324
294 V A 0.0000
295 L A 0.0000
296 A A -0.6508
297 A A -0.8093
298 G A 0.0000
299 R A -1.9270
300 G A 0.0000
301 L A -1.0702
302 P A -1.3442
303 V A 0.0000
304 P A -0.4625
305 L A 0.0000
306 L A 0.0000
307 I A 0.0000
308 G A 0.0000
309 T A 0.0000
310 N A 0.0000
311 H A -0.7975
312 D A -0.8420
313 E A 0.0000
314 S A 0.0000
315 S A -0.8148
316 L A -0.3402
317 F A 0.0000
318 R A -1.6009
319 M A -0.1141
320 M A -0.3714
321 K A -1.7359
322 S A -0.8648
323 P A -0.8988
324 L A -0.2773
325 L A 0.0000
326 P A 0.0000
327 I A -1.4441
328 H A -2.8006
329 E A -3.7488
330 D A -3.7941
331 D A -3.1309
332 I A 0.0000
333 D A -3.4260
334 R A -3.0295
335 M A 0.0000
336 M A -1.2886
337 A A -0.9968
338 D A -1.2893
339 L A 0.0000
340 A A -0.7963
341 A A -0.8658
342 E A -1.4370
343 R A -1.5079
344 P A -1.4301
345 D A -2.0677
346 V A -0.9917
347 P A -0.7025
348 I A -0.1976
349 P A -0.7621
350 P A -1.2355
351 K A -2.4749
352 Q A -2.4378
353 Q A -1.9254
354 I A 0.0000
355 L A -1.6638
356 E A -2.7529
357 A A -1.3745
358 Y A 0.0000
359 E A -2.6023
360 G A -1.6780
361 V A -1.4920
362 R A -2.9572
363 H A -2.8939
364 R A -3.1757
365 E A -2.0183
366 I A -1.5678
367 G A -1.5183
368 L A -0.9234
369 G A 0.0000
370 I A 0.0000
371 A A 0.0000
372 R A -0.3261
373 D A 0.0000
374 I A 0.0000
375 G A -0.1993
376 F A 0.0000
377 R A 0.0000
378 M A 0.0000
379 P A 0.0000
380 T A 0.0000
381 L A 0.0000
382 W A 0.0000
383 A A 0.0000
384 V A 0.0000
385 E A 0.0000
386 G A 0.0000
387 H A 0.0000
388 A A -1.8055
389 R A -2.9939
390 R A -2.6222
391 A A -1.3151
392 P A -1.2432
393 V A 0.0000
394 W A 0.0000
395 L A 0.0000
396 Y A 0.0000
397 R A -0.4125
398 F A 0.0000
399 D A -0.7917
400 H A 0.0000
401 A A 0.0000
402 T A 0.0000
403 P A -0.2055
404 M A 0.1612
405 L A -0.0044
406 H A -0.6214
407 A A 0.0114
408 L A 0.3231
409 R A -1.2720
410 I A -0.4959
411 G A -0.6596
412 A A 0.0000
413 T A 0.0000
414 H A 0.0000
415 A A 0.0253
416 T A -0.0339
417 E A 0.0000
418 L A 0.0000
419 P A -0.3918
420 Y A 0.0000
421 V A 0.0000
422 W A 0.0000
423 G A -0.9434
424 T A -0.8866
425 F A -0.8729
426 G A -1.5170
427 R A -2.4296
428 R A -2.0909
429 A A -1.4390
430 H A -1.5081
431 D A -1.3353
432 L A -0.1782
433 T A -0.1648
434 F A -0.5378
435 R A -0.9890
436 L A 0.5205
437 G A -0.4844
438 G A -1.1370
439 R A -1.8632
440 R A -2.5076
441 A A -1.7896
442 A A 0.0000
443 E A -2.2047
444 A A -1.7258
445 I A 0.0000
446 S A 0.0000
447 D A -2.0908
448 R A -1.8867
449 M A 0.0000
450 Q A 0.0000
451 Q A -1.5512
452 R A 0.0000
453 W A 0.0000
454 V A 0.0000
455 S A -1.6013
456 F A 0.0000
457 A A 0.0000
458 A A -1.1311
459 G A -1.8911
460 E A -2.9994
461 E A -2.9523
462 P A 0.0000
463 N A -2.0340
464 T A -2.2249
465 D A -2.8449
466 D A -2.8771
467 A A -2.0445
468 P A -1.3855
469 A A -1.0931
470 W A 0.0000
471 P A -0.8748
472 A A -0.9689
473 F A 0.0000
474 D A -3.2432
475 A A -2.5412
476 E A -3.3015
477 E A -3.2177
478 R A -2.3181
479 A A 0.0000
480 T A 0.0000
481 L A 0.0000
482 V A -0.8390
483 I A 0.0000
484 D A -1.3759
485 T A -1.3554
486 H A -1.9237
487 D A -1.9059
488 R A -2.0556
489 V A -0.6678
490 V A -0.4725
491 P A -1.4473
492 D A -1.5406
493 L A -0.1835
494 D A 0.0000
495 G A -0.2977
496 A A -0.5955
497 L A -0.2062
498 R A -0.6964
499 A A -0.6880
500 G A 0.0000
501 W A 0.0000
502 G A -1.0268
503 K A -1.8674
504 T A -0.8856
505 P A -0.4225
506 L A 0.0000
507 A A 0.0000
508 F A 0.0000
509 P A -0.3422
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