Project name: 5VGP aggregation

Status: done

Started: 2026-07-21 06:55:26
Settings
Chain sequence(s) A: GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
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                                          (00:03:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)
Show buried residues

Minimal score value
-3.6318
Maximal score value
1.5291
Average score
-0.9766
Total score value
-204.1123

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
239 G A -0.8044
240 G A -1.1009
241 P A 0.0000
242 S A -0.2689
243 V A 0.0000
244 F A 1.0739
245 L A 0.8316
246 F A 1.0660
247 P A -0.1637
248 P A 0.0000
249 K A -2.2098
250 P A -1.3254
251 K A -1.1352
252 D A -1.2717
253 T A 0.0000
254 L A 0.0000
255 M A 0.3541
256 I A 1.4585
257 S A 0.0425
258 R A -1.3573
259 T A -0.7925
260 P A 0.0000
261 E A -1.0553
262 V A 0.0000
263 T A 0.2194
264 C A 0.0000
265 V A 0.0000
266 V A 0.0000
267 V A -1.1633
268 D A -2.2642
269 V A 0.0000
270 S A -2.4470
271 H A -2.7318
272 E A -2.9974
273 D A -2.6820
274 P A -2.6102
275 E A -3.0650
276 V A -1.9809
277 K A -2.1778
278 F A -1.2404
279 N A -1.3211
280 W A 0.0000
281 Y A -0.9622
282 V A -1.0945
283 D A -2.2089
284 G A -1.0866
285 V A 0.2078
286 E A -1.4241
287 V A -0.8414
288 H A -1.9897
289 N A -2.2096
290 A A -1.7726
291 K A -2.2837
292 T A -1.7767
293 K A -2.0147
294 P A -1.9132
295 R A -3.1946
296 E A -3.6318
297 E A -3.6037
298 Q A -2.0881
299 Y A -0.1674
300 N A -1.2710
301 S A -1.6584
302 T A -2.1748
303 Y A 0.0000
304 R A -2.5727
305 V A 0.0000
306 V A 0.0000
307 S A 0.0000
308 V A -0.7838
309 L A 0.0000
310 T A -0.5874
311 V A 0.0000
312 L A 0.7691
313 H A -0.1051
314 Q A -1.0343
315 D A -1.1860
316 W A 0.0000
317 L A -0.8841
318 N A -1.9786
319 G A -1.9733
320 K A -2.1058
321 E A -2.1724
322 Y A 0.0000
323 K A -1.6938
324 C A 0.0000
325 K A -1.6197
326 V A 0.0000
327 S A -1.4723
328 N A 0.0000
329 K A -2.5850
330 A A -1.5073
331 L A -0.6349
332 P A -0.4468
333 A A -0.4263
334 P A -0.9173
335 I A -0.7963
336 E A -2.1454
337 K A -1.3267
338 T A -1.1456
339 I A -0.2014
340 S A -1.0460
341 K A 0.0000
342 A A -1.0623
343 K A -2.2484
344 G A -1.8620
345 Q A -1.8668
346 P A -1.5858
347 R A -1.8740
348 E A -2.4161
349 P A 0.0000
350 Q A -1.2456
351 V A 0.0000
352 Y A 0.6431
353 T A 0.5558
354 L A 0.7311
355 P A -0.1480
356 P A -0.9335
357 S A -1.7393
358 R A -3.0928
359 E A -3.1805
360 E A -2.7802
361 M A -2.5555
362 T A -2.2261
363 K A -3.4126
364 N A -3.0818
365 Q A -2.7885
366 V A 0.0000
367 S A -0.8921
368 L A 0.0000
369 T A 0.0000
370 C A 0.0000
371 L A 0.4376
372 V A 0.0000
373 K A -0.6971
374 G A -1.2427
375 F A 0.0000
376 Y A -0.9690
377 P A 0.0000
378 S A 0.0385
379 D A -1.0051
380 I A -0.5380
381 A A -0.4275
382 V A 0.0000
383 E A -1.4042
384 W A 0.0000
385 E A -1.8362
386 S A 0.0000
387 N A -1.9020
388 G A -1.8869
389 Q A -2.3304
390 P A -2.0496
391 E A -1.9991
392 N A -2.4290
393 N A -2.1561
394 Y A -1.9424
395 K A -2.3355
396 T A -1.1003
397 T A -0.3715
398 P A 0.0707
399 P A 0.5715
400 V A 1.5291
401 L A 1.3525
402 D A -0.3540
403 S A -0.9795
404 D A -1.9212
405 G A -0.7646
406 S A 0.0000
407 F A 0.4108
408 F A 0.6176
409 L A 0.0000
410 Y A 0.1919
411 S A 0.0000
412 K A -1.4584
413 L A 0.0000
414 T A -1.4812
415 V A 0.0000
416 D A -2.7964
417 K A -3.1843
418 S A -2.4529
419 R A -2.2035
420 W A 0.0000
421 Q A -2.5120
422 Q A -2.2434
423 G A -1.2785
424 N A -0.9032
425 V A 0.2372
426 F A 0.0000
427 S A -0.9791
428 C A 0.0000
429 S A 0.0000
430 V A 0.0000
431 M A -0.2736
432 H A 0.0000
433 E A -0.8968
434 A A -1.3146
435 L A -1.2772
436 H A -1.6731
437 N A -1.5732
438 H A -0.9631
439 Y A -0.1546
440 T A -0.5960
441 Q A -0.8942
442 K A -0.9477
443 S A -0.3535
444 L A 0.0000
445 S A -0.0438
446 L A -0.3004
447 S A -0.2519
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Laboratory of Theory of Biopolymers 2018