Project name: 5jii_hIgG1Fc_WT

Status: done

Started: 2025-03-05 10:02:37
Settings
Chain sequence(s) A: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL
B: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
input PDB
Selected Chain(s) A,B
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 all 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.                                          (00:00:06)
Show buried residues

Minimal score value
-3.8537
Maximal score value
1.8745
Average score
-0.8727
Total score value
-362.1888

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 -0.9776
238 P A 0.0000
239 S A -0.0626
240 V A 0.0000
241 F A 1.8745
242 L A 1.3719
243 F A 1.5738
244 P A -0.0192
245 P A 0.0000
246 K A -2.0395
247 P A -1.4116
248 K A -1.0706
249 D A -1.1745
250 T A 0.0000
251 L A 0.0000
252 M A 0.4332
253 I A 1.5880
254 S A 0.2802
255 R A -0.7628
256 T A -0.5724
257 P A 0.0000
258 E A -0.9821
259 V A 0.0000
260 T A 0.5060
261 C A 0.0000
262 V A 0.0000
263 V A 0.0000
264 V A -0.7311
265 D A -2.0199
266 V A 0.0000
267 S A -2.2821
268 H A -2.4218
269 E A -2.8814
270 D A -2.6408
271 P A -2.5496
272 E A -3.0671
273 V A -2.0040
274 K A -2.1587
275 F A -1.1005
276 N A -1.0918
277 W A 0.0000
278 Y A -0.6137
279 V A -1.0112
280 D A -2.2742
281 G A -0.9131
282 V A 0.5938
283 E A -0.5335
284 V A -0.3840
285 H A -1.8200
286 N A -2.1461
287 A A -1.8755
288 K A -2.4568
289 T A -2.1566
290 K A -2.8567
291 P A -2.4627
292 R A -3.6786
293 E A -3.8537
294 E A -3.5129
295 Q A -1.9563
296 Y A -0.1095
297 N A -1.3134
298 S A -1.5660
299 T A -2.0305
300 Y A -2.7658
301 R A -2.5679
302 V A 0.0000
303 V A -0.9029
304 S A 0.0000
305 V A -0.7861
306 L A 0.0000
307 T A -0.5490
308 V A 0.0000
309 L A 0.8750
310 H A -0.1404
311 Q A -1.1498
312 D A -1.4514
313 W A 0.0000
314 L A -1.0986
315 N A -1.9883
316 G A -2.2268
317 K A -2.3898
318 E A -2.5558
319 Y A 0.0000
320 K A -1.7599
321 C A 0.0000
322 K A -1.4950
323 V A 0.0000
324 S A -1.4004
325 N A 0.0000
326 K A -2.6002
327 A A -1.5194
328 L A -0.5999
329 P A -0.4754
330 A A -0.3916
331 P A -0.8085
332 I A -0.7183
333 E A -1.8626
334 K A -1.1591
335 T A -1.0558
336 I A -0.3260
337 S A -1.0833
338 K A -1.4036
339 A A -1.2587
340 K A -2.2311
341 G A -1.9431
342 Q A -1.9783
343 P A -1.8340
344 R A -1.9993
345 E A -2.2857
346 P A 0.0000
347 Q A -1.0860
348 V A 0.0000
349 Y A 0.0000
350 T A -0.7149
351 L A 0.0000
352 P A -0.2290
353 P A -0.6938
354 S A -1.4309
355 R A -2.5107
356 D A -2.4858
357 E A 0.0000
358 L A -1.4666
359 T A -1.3480
360 K A -1.9668
361 N A -2.3889
362 Q A -2.2046
363 V A 0.0000
364 S A 0.0000
365 L A 0.0000
366 T A 0.0000
367 C A 0.0000
368 L A 0.0000
369 V A 0.0000
370 K A -0.4943
371 G A -0.9031
372 F A 0.0000
373 Y A -1.0118
374 P A 0.0000
375 S A -0.2413
376 D A -1.2379
377 I A -0.5410
378 A A -0.3554
379 V A -0.1518
380 E A -0.9831
381 W A 0.0000
382 E A -1.7487
383 S A 0.0000
384 N A -1.8570
385 G A -1.8956
386 Q A -2.3372
387 P A -1.9857
388 E A -1.8392
389 N A -1.9362
390 N A -1.1932
391 Y A -0.7632
392 K A -0.5967
393 T A -0.1764
394 T A 0.0000
395 P A -0.0609
396 P A 0.1401
397 V A 0.6688
398 L A 1.0831
399 D A -0.3725
400 S A -1.1096
401 D A -1.7961
402 G A -0.7042
403 S A 0.0000
404 F A 0.2714
405 F A 0.0000
406 L A 0.0000
407 Y A 0.0000
408 S A 0.0000
409 K A 0.0000
410 L A 0.0000
411 T A -0.8332
412 V A 0.0000
413 D A -2.4784
414 K A -2.4374
415 S A -2.1417
416 R A -1.8029
417 W A 0.0000
418 Q A -1.8668
419 Q A -1.8531
420 G A -0.7635
421 N A -0.5528
422 V A 0.8170
423 F A 0.0000
424 S A -0.6332
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 -1.1177
431 A A -1.4977
432 L A 0.0000
433 H A -1.7786
434 N A -1.6632
435 H A -1.1008
436 Y A -0.2422
437 T A -0.5071
438 Q A -0.7508
439 K A -0.8584
440 S A -0.3261
441 L A 0.0000
442 S A 0.5542
443 L A 1.0322
237 G B -0.6936
238 P B 0.0000
239 S B -0.0340
240 V B 0.0000
241 F B 1.7961
242 L B 1.2861
243 F B 1.6030
244 P B -0.0012
245 P B 0.0000
246 K B -2.1004
247 P B -1.2722
248 K B -0.9167
249 D B -1.0417
250 T B 0.0000
251 L B 0.0000
252 M B 0.7854
253 I B 1.7303
254 S B 0.4037
255 R B -0.7171
256 T B -0.5184
257 P B 0.0000
258 E B -1.0638
259 V B 0.0000
260 T B 0.4376
261 C B 0.0000
262 V B 0.0000
263 V B 0.0000
264 V B -0.7512
265 D B -1.8818
266 V B 0.0000
267 S B -2.1287
268 H B -2.2943
269 E B -2.7446
270 D B -2.4637
271 P B -2.3424
272 E B -2.9749
273 V B -1.9033
274 K B -2.2148
275 F B -1.2178
276 N B -1.0817
277 W B 0.0000
278 Y B -0.5594
279 V B -0.9085
280 D B -2.2161
281 G B -0.8616
282 V B 0.8061
283 E B -0.4201
284 V B -0.3365
285 H B -1.7913
286 N B -2.1170
287 A B -1.7170
288 K B -2.4803
289 T B -2.0419
290 K B -2.6616
291 P B -2.3075
292 R B -2.9932
293 E B -3.4358
294 E B -3.3137
295 Q B -1.8889
296 Y B -0.1371
297 N B -1.2937
298 S B -1.2922
299 T B -2.0289
300 Y B -2.4704
301 R B -2.3184
302 V B 0.0000
303 V B -0.8547
304 S B 0.0000
305 V B -0.8860
306 L B 0.0000
307 T B -0.6079
308 V B 0.0000
309 L B 0.9136
310 H B 0.0070
311 Q B -1.0926
312 D B -1.3825
313 W B 0.0000
314 L B -1.2401
315 N B -1.9721
316 G B -2.2355
317 K B -2.3411
318 E B -2.4867
319 Y B 0.0000
320 K B -1.7626
321 C B 0.0000
322 K B -1.4748
323 V B 0.0000
324 S B -1.4283
325 N B 0.0000
326 K B -2.5510
327 A B -1.4319
328 L B -0.5434
329 P B -0.4925
330 A B -0.3847
331 P B -0.8895
332 I B -0.7305
333 E B -1.8194
334 K B -1.1793
335 T B -1.0023
336 I B -0.2652
337 S B -1.2088
338 K B -1.3466
339 A B -1.0539
340 K B -2.1636
341 G B -1.8569
342 Q B -1.9475
343 P B -1.9427
344 R B -2.1743
345 E B -2.5710
346 P B 0.0000
347 Q B -1.1733
348 V B 0.0000
349 Y B 0.0000
350 T B -0.7432
351 L B 0.0000
352 P B -0.3344
353 P B -0.7575
354 S B -1.4346
355 R B -2.4906
356 D B -2.4321
357 E B 0.0000
358 L B -1.4687
359 T B -1.3090
360 K B -1.9332
361 N B -2.3655
362 Q B -2.1957
363 V B 0.0000
364 S B 0.0000
365 L B 0.0000
366 T B 0.0000
367 C B 0.0000
368 L B 0.0000
369 V B 0.0000
370 K B -0.4267
371 G B 0.0000
372 F B 0.0000
373 Y B -0.9582
374 P B 0.0000
375 S B -0.2848
376 D B -0.8387
377 I B -0.4224
378 A B -0.4039
379 V B 0.0000
380 E B -1.0485
381 W B 0.0000
382 E B -1.6901
383 S B -1.2142
384 N B -1.7950
385 G B -1.7239
386 Q B -2.2929
387 P B -2.0475
388 E B -2.0371
389 N B -2.3729
390 N B -1.9674
391 Y B -1.2673
392 K B -0.9119
393 T B -0.2569
394 T B 0.0000
395 P B -0.0641
396 P B 0.2133
397 V B 0.6918
398 L B 1.1274
399 D B -0.2463
400 S B -0.9888
401 D B -1.7918
402 G B -0.7037
403 S B 0.0000
404 F B 0.3761
405 F B 0.0000
406 L B 0.0000
407 Y B 0.0000
408 S B 0.0000
409 K B 0.0000
410 L B 0.0000
411 T B -1.0410
412 V B 0.0000
413 D B -2.5114
414 K B -2.3803
415 S B -2.0665
416 R B -1.8411
417 W B 0.0000
418 Q B -2.0510
419 Q B -1.9409
420 G B -0.9181
421 N B -0.6910
422 V B 0.6531
423 F B 0.0000
424 S B 0.0000
425 C B 0.0000
426 S B 0.0000
427 V B 0.0000
428 M B 0.0000
429 H B 0.0000
430 E B -1.0867
431 A B -1.5706
432 L B 0.0000
433 H B -1.7820
434 N B -1.5860
435 H B -0.8246
436 Y B -0.0793
437 T B -0.4998
438 Q B -0.8482
439 K B -0.9701
440 S B -0.3670
441 L B 0.0000
442 S B 0.2111
443 L B 0.3048
444 S B -0.1486
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Laboratory of Theory of Biopolymers 2018