Project name: G1058C_4D

Status: done

Started: 2026-05-10 08:15:31
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQACGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode Yes
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 minimization                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:21:06)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:32:52)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:33:38)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:34:23)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:35:11)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:35:56)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:36:41)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:37:25)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:38:10)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:38:55)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:39:42)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:40:27)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:41:10)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:41:54)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:43:23)
[INFO]       Main:     Simulation completed successfully.                                          (12:44:05)
Show buried residues

Minimal score value
-4.2414
Maximal score value
5.9941
Average score
-0.5812
Total score value
-1348.8786

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 0.6639
2 G A -0.5827
3 P A -0.9694
4 G A -0.9109
5 A A -0.6850
6 R A -1.8363
7 G A -1.8175
8 R A -2.4181
9 R A -3.4335
10 R A -3.9976
11 R A -3.9898
12 R A -3.3745
13 R A -2.8646
14 P A -1.1161
15 M A -0.2895
16 S A -0.7019
17 P A -0.9385
18 P A -0.7469
19 P A -0.6029
20 P A -0.6226
21 P A -0.6313
22 P A -0.6601
23 P A -0.0325
24 V A 0.9397
25 R A -0.6876
26 A A -0.2785
27 L A 0.1865
28 P A 0.5203
29 L A 1.9187
30 L A 2.2420
31 L A 2.1936
32 L A 2.2429
33 L A 1.3445
34 A A 1.0222
35 G A 0.9377
36 P A 0.2002
37 G A -0.3577
38 A A -0.1584
39 A A 0.0693
40 A A 0.0000
41 P A -0.5663
42 P A -1.1249
43 C A -0.7900
44 L A -1.6057
45 D A -2.3329
46 G A -1.7112
47 S A -1.2218
48 P A -1.6732
49 C A 0.0000
50 A A -1.3649
51 N A -2.0102
52 G A -1.7524
53 G A -1.7253
54 R A -2.0125
55 C A -0.6390
56 T A -0.7887
57 Q A -0.7315
58 L A 0.1135
59 P A -0.7930
60 S A -1.4321
61 R A -2.6036
62 E A -2.5103
63 A A -1.2001
64 A A 0.0000
65 C A -0.4511
66 L A -0.1756
67 C A 0.0000
68 P A -1.0577
69 P A -0.9650
70 G A -1.1353
71 W A -1.1804
72 V A 0.0000
73 G A 0.0000
74 E A -0.9672
75 R A -2.5666
76 C A 0.0000
77 Q A -2.4456
78 L A 0.0000
79 E A -2.2578
80 D A -2.1442
81 P A -1.4598
82 C A 0.0000
83 H A -1.4222
84 S A -0.8824
85 G A -0.7833
86 P A -0.7024
87 C A -1.1961
88 A A -1.0763
89 G A -1.5141
90 R A -2.3720
91 G A -1.6235
92 V A -1.2452
93 C A -1.3961
94 Q A -1.5862
95 S A -1.0726
96 S A -0.3229
97 V A 0.9588
98 V A 1.1248
99 A A 0.0805
100 G A -0.5249
101 T A -0.3577
102 A A -0.9543
103 R A -1.7509
104 F A -1.3096
105 S A -1.6504
106 C A 0.0000
107 R A -2.5111
108 C A -1.5764
109 P A -1.3334
110 R A -1.5576
111 G A -0.3451
112 F A 0.0785
113 R A 0.0000
114 G A -1.7549
115 P A -1.7041
116 D A -2.4571
117 C A -1.2562
118 S A -0.5388
119 L A -0.1364
120 P A -0.2503
121 D A -0.7918
122 P A -0.6058
123 C A 0.3492
124 L A 1.0836
125 S A 0.4642
126 S A 0.3329
127 P A -0.1737
128 C A -0.4009
129 A A -0.7946
130 H A -1.1322
131 G A -1.0261
132 A A -1.0044
133 R A -1.1250
134 C A 0.7414
135 S A 1.0168
136 V A 1.1848
137 G A -0.2179
138 P A -0.9351
139 D A -2.4151
140 G A -1.9604
141 R A -1.5298
142 F A 0.8536
143 L A 1.7648
144 C A 1.3684
145 S A 0.3280
146 C A -0.1327
147 P A -0.6346
148 P A -0.4680
149 G A -0.6777
150 Y A -0.1439
151 Q A -1.2632
152 G A -1.4782
153 R A -2.1502
154 S A -1.1296
155 C A -0.5413
156 R A -1.2457
157 S A 0.0000
158 D A -2.0367
159 V A -1.3386
160 D A -1.7657
161 E A -2.1139
162 C A 0.0000
163 R A -1.9376
164 V A -0.3574
165 G A -1.5334
166 E A -2.5793
167 P A -2.1037
168 C A -2.4573
169 R A -3.1934
170 H A -2.6604
171 G A -1.5375
172 G A -1.2523
173 T A 0.0000
174 C A -1.3125
175 L A -0.7230
176 N A -1.1637
177 T A -0.8594
178 P A -1.3565
179 G A -1.3516
180 S A -0.9694
181 F A -1.2250
182 R A -1.2896
183 C A -0.7495
184 Q A -1.2323
185 C A -0.6009
186 P A -0.3097
187 A A -0.4699
188 G A -0.4090
189 Y A -0.5455
190 T A -0.8254
191 G A -0.7938
192 P A -0.9553
193 L A -1.2010
194 C A 0.0000
195 E A -2.6687
196 N A -2.0652
197 P A -0.8360
198 A A -0.5336
199 V A -0.5644
200 P A -0.6899
201 C A -1.2505
202 A A -0.8108
203 P A -0.8174
204 S A -1.0225
205 P A -1.0270
206 C A -1.4511
207 R A -2.5239
208 N A -2.2603
209 G A -1.5715
210 G A -1.4995
211 T A 0.0000
212 C A 0.0000
213 R A -2.9158
214 Q A -2.2324
215 S A -1.0642
216 G A -1.4387
217 D A -1.7993
218 L A -0.1740
219 T A -0.7602
220 Y A -1.3402
221 D A -2.5469
222 C A 0.0000
223 A A -0.8951
224 C A -0.6813
225 L A -0.0678
226 P A -0.1595
227 G A 0.2564
228 F A 1.2198
229 E A -0.7967
230 G A -1.7399
231 Q A -2.0193
232 N A -2.2737
233 C A 0.0000
234 E A -1.0041
235 V A -0.3254
236 N A -0.1891
237 V A 0.0846
238 D A -1.6036
239 D A -1.3206
240 C A 0.0000
241 P A -1.0602
242 G A -1.2417
243 H A -2.0369
244 R A -2.2237
245 C A -1.1825
246 L A -0.2709
247 N A -0.2495
248 G A -0.8777
249 G A -1.0449
250 T A -0.1135
251 C A 0.5177
252 V A 1.0502
253 D A 0.1579
254 G A -0.3611
255 V A 0.0000
256 N A -1.1444
257 T A -0.4659
258 Y A 0.4363
259 N A 0.0845
260 C A 0.0000
261 Q A -1.1613
262 C A 0.0000
263 P A -1.5572
264 P A -1.7858
265 E A -2.5808
266 W A -1.8503
267 T A -1.5722
268 G A -1.3785
269 Q A -0.8430
270 F A 0.3099
271 C A -0.7943
272 T A -1.2787
273 E A -1.7998
274 D A -2.3050
275 V A -1.2649
276 D A -1.2344
277 E A -0.6406
278 C A -0.1757
279 Q A -1.0298
280 L A 0.2094
281 Q A -0.6215
282 P A -0.7082
283 N A -0.6311
284 A A -0.4560
285 C A -0.3568
286 H A -0.6721
287 N A -1.1898
288 G A -0.8707
289 G A -0.7417
290 T A 0.2110
291 C A 0.7687
292 F A 1.8470
293 N A 0.6746
294 T A 0.8622
295 L A 1.4893
296 G A 0.4335
297 G A -0.0510
298 H A -0.0551
299 S A 0.0723
300 C A 0.0000
301 V A -0.0685
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A 0.0000
306 W A 0.0000
307 T A -0.9256
308 G A -1.1586
309 E A -1.3566
310 S A -0.8991
311 C A -0.7347
312 S A -0.6210
313 Q A -0.5485
314 N A 0.0000
315 I A 0.8838
316 D A -1.1464
317 D A 0.0000
318 C A -0.7379
319 A A -0.4065
320 T A 0.1138
321 A A 0.0610
322 V A 0.0000
323 C A 0.0000
324 F A 0.0000
325 H A -1.2215
326 G A -0.9981
327 A A -0.8539
328 T A -1.0167
329 C A 0.0000
330 H A -1.4879
331 D A -1.1539
332 R A -1.3661
333 V A 0.8786
334 A A -0.0043
335 S A -0.5872
336 F A 0.0000
337 Y A -0.9124
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A -0.4340
342 M A 0.2481
343 G A -0.2442
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.4299
349 C A 0.0000
350 H A 0.0000
351 L A -0.4079
352 D A -1.5892
353 D A -1.8865
354 A A 0.0000
355 C A 0.0000
356 V A 0.3763
357 S A -0.4922
358 N A 0.0000
359 P A -0.2814
360 C A 0.0000
361 H A -2.8478
362 E A -3.4782
363 D A -2.9098
364 A A -1.9589
365 I A -0.4742
366 C A 0.0000
367 D A -0.5449
368 T A 0.0000
369 N A -0.8126
370 P A 0.0000
371 V A 0.0000
372 N A -0.8676
373 G A -1.2187
374 R A -0.8808
375 A A -0.4353
376 I A 0.1048
377 C A 0.4201
378 T A 0.2345
379 C A 0.0000
380 P A -0.4947
381 P A -0.7103
382 G A -0.1861
383 F A 1.0839
384 T A 0.2466
385 G A -0.6094
386 G A -0.2800
387 A A 0.3702
388 C A 0.0000
389 D A -0.1477
390 Q A -0.7295
391 D A -1.1044
392 V A -1.2940
393 D A -2.3204
394 E A -1.5586
395 C A -0.1432
396 S A 0.4403
397 I A 1.7958
398 G A 0.4822
399 A A 0.5282
400 N A 0.0000
401 P A 0.0469
402 C A -0.0659
403 E A -0.9262
404 H A -1.7025
405 L A -1.4288
406 G A -2.5464
407 R A -2.6432
408 C A -1.0017
409 V A 0.0564
410 N A -0.5482
411 T A -1.0126
412 Q A -1.5156
413 G A -1.4834
414 S A 0.0000
415 F A 0.7456
416 L A 0.5170
417 C A -0.1623
418 Q A -1.1156
419 C A 0.0000
420 G A -1.6075
421 R A -1.9781
422 G A -0.9147
423 Y A 0.1606
424 T A 0.0000
425 G A -0.1303
426 P A 0.0000
427 R A -0.4231
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.3282
432 V A -0.5777
433 N A -0.7003
434 E A -0.8516
435 C A -0.3172
436 L A -0.2116
437 S A -0.2884
438 G A -0.2612
439 P A -0.6488
440 C A 0.0000
441 R A 0.0000
442 N A -1.2263
443 Q A 0.0000
444 A A 0.0000
445 T A 0.0000
446 C A 0.0000
447 L A 0.0000
448 D A 0.0000
449 R A -0.3074
450 I A 1.1400
451 G A -0.1273
452 Q A -0.0064
453 F A 0.8003
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A -0.2848
459 A A 0.0000
460 G A 0.0000
461 F A 0.0000
462 T A -1.1472
463 G A -0.8278
464 T A -0.0247
465 Y A 0.8010
466 C A -0.3779
467 E A -1.6395
468 V A -1.2045
469 D A -2.2080
470 I A 0.0000
471 D A -1.2893
472 E A -0.8854
473 C A 0.0000
474 Q A -0.9667
475 S A 0.0000
476 S A 0.0000
477 P A 0.3255
478 C A 0.0000
479 V A 0.2946
480 N A -1.0065
481 G A -0.5720
482 G A -0.2265
483 V A 0.0076
484 C A 0.0000
485 K A -0.3728
486 D A 0.0000
487 R A -0.8111
488 V A 0.0000
489 N A -1.1734
490 G A -0.7222
491 F A 0.1533
492 S A 0.1163
493 C A 0.0000
494 T A 0.3036
495 C A 0.0000
496 P A 0.0152
497 S A -0.4605
498 G A -0.4484
499 F A 1.2527
500 S A 0.1758
501 G A -0.0484
502 S A -0.0332
503 T A 0.0388
504 C A 0.1008
505 Q A -0.5675
506 L A -0.4005
507 D A -1.8999
508 V A -2.4288
509 D A -3.5392
510 E A -3.4717
511 C A -2.1902
512 A A -0.8682
513 S A -0.7378
514 T A -0.2353
515 P A -0.9116
516 C A -1.6139
517 R A -2.4914
518 N A -2.3301
519 G A -1.7889
520 A A -2.0533
521 K A -2.7486
522 C A -1.9540
523 V A -2.0865
524 D A -2.9702
525 Q A -2.7696
526 P A -2.6249
527 D A -3.1768
528 G A -2.2243
529 Y A -1.8591
530 E A -2.5343
531 C A -1.5501
532 R A -2.4084
533 C A 0.0000
534 A A -1.7550
535 E A 0.0000
536 G A -1.2209
537 F A -0.2835
538 E A -1.0854
539 G A -1.2856
540 T A -0.5934
541 L A 0.0120
542 C A -0.5368
543 D A -1.7794
544 R A -2.9290
545 N A -2.1558
546 V A -1.5988
547 D A -2.8746
548 D A -2.5624
549 C A -1.3915
550 S A -1.6961
551 P A -1.5963
552 D A -2.4246
553 P A -1.7660
554 C A -1.4883
555 H A -2.5141
556 H A -2.1295
557 G A 0.0000
558 R A -2.7035
559 C A -1.1565
560 V A 0.0708
561 D A -1.4485
562 G A -0.4959
563 I A -0.4964
564 A A -0.3225
565 S A 0.3447
566 F A 1.0829
567 S A 0.6000
568 C A -0.0409
569 A A 0.0987
570 C A -0.0039
571 A A 0.3535
572 P A 0.0163
573 G A -0.4088
574 Y A 0.3504
575 T A -1.0890
576 G A 0.0000
577 T A -1.3762
578 R A -2.1738
579 C A -1.3129
580 E A -2.1134
581 S A -1.0156
582 Q A -0.8547
583 V A -0.4276
584 D A -1.0584
585 E A -1.4904
586 C A 0.0000
587 R A -2.6532
588 S A -2.4000
589 Q A -2.3645
590 P A -1.4539
591 C A 0.0000
592 R A -2.9839
593 H A -2.3336
594 G A -1.7464
595 G A -1.6035
596 K A -1.6766
597 C A -1.1642
598 L A 0.2977
599 D A 0.2283
600 L A 1.4677
601 V A 1.4371
602 D A -1.0074
603 K A -1.1656
604 Y A 0.1821
605 L A 1.0564
606 C A -0.1980
607 R A -1.1087
608 C A -0.2180
609 P A 0.0000
610 S A -0.6419
611 G A -0.8941
612 T A -0.7367
613 T A -0.2425
614 G A -0.0008
615 V A 0.7728
616 N A -1.0043
617 C A -0.7797
618 E A -1.1860
619 V A -0.6069
620 N A -1.7067
621 I A -1.5669
622 D A -2.7664
623 D A -2.3065
624 C A -1.1163
625 A A -0.7360
626 S A -0.6869
627 N A -1.3299
628 P A -0.7675
629 C A 0.6936
630 T A 0.9689
631 F A 2.2492
632 G A 1.5196
633 V A 1.8734
634 C A -0.0237
635 R A -1.7398
636 D A -2.2977
637 G A -1.1666
638 I A 0.0707
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2253 E A -0.4261
2254 H A 0.0000
2255 W A 0.4271
2256 A A -0.0087
2257 S A -0.4523
2258 P A -0.5720
2259 S A -0.6011
2260 P A -0.5513
2261 P A 0.0000
2262 S A -0.4349
2263 L A -0.7080
2264 S A -0.7652
2265 D A -1.7359
2266 W A -0.9779
2267 S A -0.8031
2268 E A -1.3988
2269 S A -0.5730
2270 T A -0.4622
2271 P A -0.1951
2272 S A -0.3406
2273 P A 0.0592
2274 A A 0.2086
2275 T A -0.1978
2276 A A -0.5065
2277 T A 0.0000
2278 G A -0.4477
2279 A A 0.0000
2280 M A 1.0044
2281 A A 0.4042
2282 T A 0.0839
2283 T A -0.1318
2284 T A -0.2915
2285 G A 0.0000
2286 A A 0.1696
2287 L A 0.0000
2288 P A -0.3128
2289 A A -0.7216
2290 Q A -0.7270
2291 P A -0.1477
2292 L A 1.0135
2293 P A 0.6266
2294 L A 0.7937
2295 S A 0.0809
2296 V A -0.0239
2297 P A -0.3225
2298 S A -0.2321
2299 S A -0.2440
2300 L A 0.2061
2301 A A -0.5502
2302 Q A -0.6545
2303 A A -0.9718
2304 Q A -1.2980
2305 T A -0.9119
2306 Q A -1.1614
2307 L A -0.6584
2308 G A -0.7783
2309 P A 0.0000
2310 Q A -0.7420
2311 P A -0.6120
2312 E A -0.3746
2313 V A 1.0055
2314 T A -0.0432
2315 P A -1.0680
2316 K A -2.3957
2317 R A -1.8025
2318 Q A -1.3107
2319 V A -0.0563
2320 L A 1.2672
2321 A A 0.5696
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CABS-flex predictions of flexibility of input structure

In dynamic mode, A4D analysis is performed on the set of models reflecting fluctuations of the input structure (predicted by CABS-flex method, models are numbered from 0 to 11) and the input model. Their A4D scores are provided below in the table.
The right panel presents comparison of the most aggregation prone model (with the highest A4D score, -0.5812 in this case) with the input model (the most aggregation prone model in blue, input in red) and RMSF plot which shows the extent of residue fluctuations in Angstroms (predicted by CABS-flex).

Model
Average A4D Score
model_2 -0.5812 View CSV PDB
model_5 -0.5824 View CSV PDB
model_3 -0.5989 View CSV PDB
model_8 -0.599 View CSV PDB
model_1 -0.6105 View CSV PDB
model_7 -0.6114 View CSV PDB
CABS_average -0.6159 View CSV PDB
model_9 -0.6176 View CSV PDB
model_4 -0.6177 View CSV PDB
model_0 -0.6237 View CSV PDB
model_6 -0.6452 View CSV PDB
model_10 -0.6487 View CSV PDB
model_11 -0.6544 View CSV PDB
input -0.7536 View CSV PDB