Project name: 71f3355f4d977eb

Status: done

Started: 2025-12-10 01:44:32
Settings
Chain sequence(s) A: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:23)
Show buried residues

Minimal score value
-3.6778
Maximal score value
1.5645
Average score
-1.0442
Total score value
-217.1895

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
237 G A -0.8281
238 P A 0.0000
239 S A -0.3118
240 V A 0.0000
241 F A 1.3642
242 L A 1.0378
243 F A 1.3188
244 P A -0.0669
245 P A 0.0000
246 K A -2.1779
247 P A -1.4464
248 K A -1.1288
249 D A -1.1311
250 T A 0.0000
251 L A 0.0000
252 M A 0.4762
253 I A 1.5645
254 S A 0.2657
255 R A -0.9291
256 T A -0.6123
257 P A 0.0000
258 E A -1.0169
259 V A 0.0000
260 T A 0.3255
261 C A 0.0000
262 V A 0.0000
263 V A 0.0000
264 V A -1.3372
265 D A -2.4282
266 V A 0.0000
267 S A -2.3325
268 H A -2.7356
269 E A -2.9885
270 D A -2.6417
271 P A -2.7955
272 E A -3.0618
273 V A -1.9779
274 K A -2.1805
275 F A -1.2485
276 N A -1.3437
277 W A 0.0000
278 Y A -0.9873
279 V A -1.0172
280 D A -2.0190
281 G A -0.9922
282 V A 0.2990
283 E A -1.3381
284 V A -1.0743
285 H A -2.0452
286 N A -2.2715
287 A A -1.9153
288 K A -2.4197
289 T A -1.9272
290 K A -2.2613
291 P A -2.3006
292 R A -3.4128
293 E A -3.6778
294 E A -3.5618
295 Q A -1.9124
296 Y A -0.0720
297 N A -1.3139
298 S A -1.6112
299 T A -2.0276
300 Y A -2.9178
301 R A -2.6531
302 V A 0.0000
303 V A -0.8541
304 S A 0.0000
305 V A 0.0000
306 L A 0.0000
307 T A -0.6760
308 V A 0.0000
309 L A 0.4177
310 H A -0.2234
311 Q A -1.1855
312 D A -1.3842
313 W A 0.0000
314 L A -1.0541
315 N A -1.9604
316 G A -2.1938
317 K A -2.1992
318 E A -1.9548
319 Y A 0.0000
320 K A -1.6578
321 C A 0.0000
322 K A -1.6574
323 V A 0.0000
324 S A -1.4581
325 N A 0.0000
326 K A -2.5303
327 A A -1.4215
328 L A -0.4836
329 P A -0.3778
330 A A -0.4175
331 P A -0.9254
332 I A -0.8668
333 E A -2.1814
334 K A -1.3441
335 T A -1.0586
336 I A -0.1559
337 S A -1.0869
338 K A -1.3294
339 A A -1.2655
340 K A -2.2407
341 G A -2.0517
342 Q A -2.0098
343 P A -1.8783
344 R A -2.3283
345 E A -2.6782
346 P A 0.0000
347 Q A -1.1739
348 V A 0.0000
349 Y A 0.5083
350 T A 0.4385
351 L A 0.6249
352 P A -0.1063
353 P A 0.0000
354 S A -1.6826
355 R A -2.8455
356 D A -3.0524
357 E A -2.5674
358 L A -2.2571
359 T A -1.9837
360 K A -3.1064
361 N A -2.9129
362 Q A -2.8177
363 V A 0.0000
364 S A -0.9160
365 L A 0.0000
366 T A -0.0078
367 C A 0.0000
368 L A 0.4125
369 V A 0.0000
370 K A -0.7267
371 G A -1.3230
372 F A 0.0000
373 Y A -1.1878
374 P A 0.0000
375 S A -0.1490
376 D A -1.3775
377 I A -0.7407
378 A A -0.6016
379 V A 0.0000
380 E A -1.8771
381 W A 0.0000
382 E A -1.8830
383 S A -1.2566
384 N A -1.8560
385 G A -1.8888
386 Q A -2.2844
387 P A -2.1114
388 E A -2.1223
389 N A -2.5946
390 N A -2.4528
391 Y A -2.2970
392 K A -2.5995
393 T A -1.2608
394 T A -0.4545
395 P A -0.0401
396 P A 0.4811
397 V A 1.3712
398 L A 1.1788
399 D A -0.6087
400 S A -1.1122
401 D A -2.0284
402 G A -0.9187
403 S A 0.0000
404 F A 0.1954
405 F A 0.5593
406 L A 0.0000
407 Y A 0.1285
408 S A 0.0000
409 K A -2.0051
410 L A 0.0000
411 T A -1.5936
412 V A 0.0000
413 D A -3.0114
414 K A -3.1437
415 S A -2.7106
416 R A -2.9532
417 W A 0.0000
418 Q A -2.7026
419 Q A -2.6321
420 G A -1.4099
421 N A -1.0716
422 V A 0.2643
423 F A 0.0000
424 S A -1.1544
425 C A 0.0000
426 S A 0.0000
427 V A 0.0000
428 M A 0.0000
429 H A 0.0000
430 E A -1.0941
431 A A -1.5022
432 L A -1.2873
433 H A -1.6685
434 N A -1.5680
435 H A -0.9960
436 Y A -0.2799
437 T A -0.8606
438 Q A -1.5450
439 K A -1.3398
440 S A -0.5242
441 L A 0.0000
442 S A -0.0593
443 L A -0.3275
444 S A -0.2575
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Laboratory of Theory of Biopolymers 2018