Project name: H435A

Status: done

Started: 2025-03-05 11:06:47
Settings
Chain sequence(s) A: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNAYTQKSLSLS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)
Show buried residues

Minimal score value
-3.8809
Maximal score value
1.9955
Average score
-0.9142
Total score value
-190.1435

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 -0.9680
238 P A 0.0000
239 S A -0.0359
240 V A 0.0000
241 F A 1.9955
242 L A 1.4088
243 F A 1.6828
244 P A 0.0682
245 P A 0.0000
246 K A -1.9998
247 P A -1.3495
248 K A -0.8487
249 D A -0.9857
250 T A 0.0000
251 L A -0.0006
252 M A 0.7553
253 I A 1.6248
254 S A 0.4064
255 R A -0.4489
256 T A -0.3515
257 P A 0.0000
258 E A -0.8439
259 V A 0.0000
260 T A 0.5393
261 C A 0.0000
262 V A 0.0000
263 V A 0.0000
264 V A -1.0050
265 D A -1.8451
266 V A 0.0000
267 S A -2.2000
268 H A -2.1916
269 E A -2.6722
270 D A -2.3352
271 P A -2.4234
272 E A -3.0143
273 V A -1.9327
274 K A -2.1925
275 F A -1.2073
276 N A -1.1114
277 W A 0.0000
278 Y A -0.5284
279 V A -0.9675
280 D A -2.2813
281 G A -0.8802
282 V A 0.6977
283 E A -0.4009
284 V A -0.4005
285 H A -1.8147
286 N A -2.0726
287 A A -1.8792
288 K A -2.5158
289 T A -2.0880
290 K A -2.9562
291 P A -2.5205
292 R A -3.7235
293 E A -3.8809
294 E A -3.3905
295 Q A -2.0316
296 Y A -0.1309
297 N A -1.3313
298 S A -1.5894
299 T A -2.1914
300 Y A -2.6087
301 R A -2.7279
302 V A 0.0000
303 V A 0.0000
304 S A 0.0000
305 V A -0.8118
306 L A 0.0000
307 T A -0.5152
308 V A 0.0000
309 L A 0.9419
310 H A 0.0510
311 Q A -1.0633
312 D A -1.3878
313 W A 0.0000
314 L A -0.8992
315 N A -1.9198
316 G A -2.2020
317 K A -2.3115
318 E A -2.5048
319 Y A 0.0000
320 K A -1.5905
321 C A 0.0000
322 K A -1.5258
323 V A 0.0000
324 S A -1.4214
325 N A 0.0000
326 K A -2.5703
327 A A -1.4562
328 L A -0.5817
329 P A -0.5381
330 A A -0.4724
331 P A -0.9430
332 I A -0.7267
333 E A -1.9172
334 K A -1.1770
335 T A -1.0881
336 I A -0.2899
337 S A -1.2572
338 K A -1.3852
339 A A -1.2954
340 K A -2.2530
341 G A -1.9741
342 Q A -2.0258
343 P A -1.9866
344 R A -2.2638
345 E A -2.6891
346 P A 0.0000
347 Q A -1.1980
348 V A 0.0000
349 Y A 0.5867
350 T A 0.5029
351 L A 0.6474
352 P A -0.0598
353 P A -0.8887
354 S A -1.7353
355 R A -2.8734
356 D A -3.0896
357 E A -2.6109
358 L A -2.0972
359 T A -1.9765
360 K A -3.0442
361 N A -2.9316
362 Q A -2.6492
363 V A 0.0000
364 S A -1.0346
365 L A 0.0000
366 T A 0.0134
367 C A 0.0000
368 L A 0.4993
369 V A 0.0000
370 K A -0.4654
371 G A 0.0000
372 F A 0.0000
373 Y A -1.1467
374 P A 0.0000
375 S A -0.1024
376 D A -1.3020
377 I A -0.6046
378 A A -0.4018
379 V A -0.1960
380 E A -0.9097
381 W A 0.0000
382 E A -1.6293
383 S A 0.0000
384 N A -1.8293
385 G A -1.8633
386 Q A -2.2739
387 P A -1.9099
388 E A -1.9191
389 N A -2.3483
390 N A -2.3611
391 Y A -2.0676
392 K A -2.3994
393 T A -1.0971
394 T A -0.4032
395 P A 0.1125
396 P A 0.6170
397 V A 1.6353
398 L A 1.4778
399 D A -0.1865
400 S A -0.9303
401 D A -1.8805
402 G A -0.6540
403 S A 0.0000
404 F A 0.5203
405 F A 0.8100
406 L A 0.0000
407 Y A 0.2797
408 S A 0.0000
409 K A -1.7566
410 L A 0.0000
411 T A -1.6111
412 V A 0.0000
413 D A -2.7655
414 K A -2.7520
415 S A -2.2422
416 R A -1.9542
417 W A 0.0000
418 Q A -2.0388
419 Q A -1.9510
420 G A -0.9655
421 N A -0.6602
422 V A 0.4484
423 F A 0.0000
424 S A 0.0000
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 -1.0565
431 A A -1.5709
432 L A 0.0000
433 H A -1.7236
434 N A -1.2932
435 A A -0.6211
436 Y A -0.0496
437 T A -0.6266
438 Q A -1.0101
439 K A -1.0538
440 S A -0.3388
441 L A 0.0000
442 S A 0.2312
443 L A 0.3059
444 S A 0.0277
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Laboratory of Theory of Biopolymers 2018