Project name: R110C_4D

Status: done

Started: 2026-05-07 02:43:54
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPCGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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 minimization                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:30:51)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:46:20)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:47:53)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:49:16)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:50:36)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:52:02)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:53:31)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:55:07)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:56:43)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:58:22)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:59:58)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:01:29)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:02:58)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:04:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:07:23)
[INFO]       Main:     Simulation completed successfully.                                          (19:08:51)
Show buried residues

Minimal score value
-3.8524
Maximal score value
5.2513
Average score
-0.563
Total score value
-1306.8283

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 0.0000
2 G A 0.0000
3 P A -0.6283
4 G A -0.3492
5 A A -0.6659
6 R A -1.9255
7 G A -2.2003
8 R A -2.6318
9 R A -3.5300
10 R A -3.3629
11 R A -3.7405
12 R A -3.4000
13 R A -2.2883
14 P A -1.4929
15 M A -0.5660
16 S A -0.3645
17 P A -0.4626
18 P A -0.5006
19 P A -0.2791
20 P A -0.2688
21 P A -0.0311
22 P A 0.1523
23 P A 0.1889
24 V A 0.4993
25 R A -0.6163
26 A A 0.4304
27 L A 1.3509
28 P A 0.9444
29 L A 1.3972
30 L A 2.8887
31 L A 2.9295
32 L A 3.4211
33 L A 2.5112
34 A A 1.3010
35 G A 0.0483
36 P A -0.3018
37 G A -0.6637
38 A A -0.4558
39 A A -0.3463
40 A A -0.3415
41 P A -0.6255
42 P A -0.4367
43 C A -0.2842
44 L A -0.7087
45 D A -1.7775
46 G A -1.2017
47 S A -0.5707
48 P A -0.4859
49 C A 0.0934
50 A A -0.4592
51 N A -1.5520
52 G A -1.1790
53 G A -0.9188
54 R A -1.4178
55 C A 0.0000
56 T A -0.8702
57 Q A -1.2644
58 L A -0.2184
59 P A -0.9579
60 S A -1.3754
61 R A -2.6081
62 E A -2.6825
63 A A -1.2176
64 A A -0.8503
65 C A -0.6762
66 L A -0.1375
67 C A -0.5158
68 P A -1.1818
69 P A 0.0000
70 G A -0.8324
71 W A -0.8029
72 V A 0.0000
73 G A -2.3291
74 E A -2.8467
75 R A -2.5182
76 C A 0.0000
77 Q A -1.5081
78 L A -1.2737
79 E A -1.8267
80 D A -1.8172
81 P A -1.3202
82 C A 0.0000
83 H A -2.1059
84 S A -0.9296
85 G A -0.8945
86 P A -1.1615
87 C A 0.0000
88 A A -0.8883
89 G A -1.4326
90 R A -2.4729
91 G A 0.0000
92 V A -1.7972
93 C A 0.0000
94 Q A -1.8821
95 S A 0.0000
96 S A -1.8929
97 V A 0.0000
98 V A -0.9042
99 A A -0.6985
100 G A -0.4654
101 T A -0.5625
102 A A -1.1380
103 R A -1.5544
104 F A -0.5322
105 S A -0.7654
106 C A -1.3885
107 R A -2.1759
108 C A 0.0000
109 P A -0.9887
110 C A -0.5508
111 G A 0.1733
112 F A 0.3359
113 R A 0.0000
114 G A -0.6032
115 P A -0.9884
116 D A -1.7002
117 C A -0.7250
118 S A -0.3194
119 L A 0.9312
120 P A 0.0668
121 D A -0.0198
122 P A 0.0000
123 C A 0.5348
124 L A 1.1667
125 S A 0.3348
126 S A 0.2072
127 P A 0.0193
128 C A 0.0946
129 A A -0.1239
130 H A -0.8559
131 G A -1.1268
132 A A -1.0055
133 R A -1.6268
134 C A 0.0995
135 S A 0.5179
136 V A 0.5674
137 G A 0.0000
138 P A -1.5824
139 D A -2.2817
140 G A -1.9754
141 R A -1.9079
142 F A 0.3472
143 L A 1.3651
144 C A 0.0000
145 S A -0.5522
146 C A 0.0000
147 P A -0.9695
148 P A -0.8249
149 G A -0.6235
150 Y A -0.4144
151 Q A -1.3974
152 G A -1.2142
153 R A -1.0643
154 S A -0.3846
155 C A -0.0759
156 R A -0.8718
157 S A -1.1751
158 D A -1.4562
159 V A -1.0926
160 D A -1.7831
161 E A 0.0000
162 C A -0.8537
163 R A -1.7157
164 V A 0.1148
165 G A -0.5975
166 E A -1.7512
167 P A -1.2402
168 C A -1.6074
169 R A -2.1154
170 H A -2.0228
171 G A -1.2633
172 G A -0.8855
173 T A -0.8491
174 C A -0.4822
175 L A 0.0276
176 N A -1.0681
177 T A -0.8131
178 P A -1.1316
179 G A -1.1630
180 S A -0.9631
181 F A -0.8206
182 R A -1.4115
183 C A 0.0000
184 Q A -1.3100
185 C A -1.1201
186 P A -0.7910
187 A A -0.0378
188 G A -0.3652
189 Y A 0.0000
190 T A -1.1915
191 G A -0.7755
192 P A -0.4954
193 L A -0.5733
194 C A 0.0000
195 E A -2.6921
196 N A -2.2536
197 P A -1.0837
198 A A -0.8118
199 V A -0.2520
200 P A -0.3893
201 C A -0.2105
202 A A 0.0523
203 P A -0.2773
204 S A -0.7763
205 P A -1.0147
206 C A -1.4098
207 R A -2.2895
208 N A -1.9001
209 G A -1.1632
210 G A -1.2796
211 T A -0.8966
212 C A -1.1380
213 R A -2.0083
214 Q A -1.2075
215 S A -1.0302
216 G A -1.0669
217 D A -1.2769
218 L A 0.5702
219 T A -0.1779
220 Y A -0.4574
221 D A -1.3875
222 C A -1.1080
223 A A -0.7980
224 C A 0.0000
225 L A 0.6014
226 P A -0.2825
227 G A -0.1065
228 F A 0.1564
229 E A -1.4718
230 G A -1.8823
231 Q A -2.0966
232 N A -1.9860
233 C A 0.0000
234 E A -1.7575
235 V A -0.4379
236 N A -0.6396
237 V A 0.0275
238 D A -0.7317
239 D A -1.7515
240 C A -0.6656
241 P A -1.0120
242 G A -1.3326
243 H A -1.0896
244 R A -0.8675
245 C A 0.0000
246 L A 0.5516
247 N A -0.8119
248 G A -0.9609
249 G A -0.8827
250 T A 0.0000
251 C A 0.0524
252 V A 0.5592
253 D A -0.5000
254 G A -0.3545
255 V A -0.2405
256 N A -1.1331
257 T A -0.7811
258 Y A -0.3647
259 N A -0.7991
260 C A 0.0000
261 Q A -1.0358
262 C A 0.0000
263 P A -0.6245
264 P A -0.6588
265 E A -1.1538
266 W A -0.5287
267 T A 0.0000
268 G A 0.0000
269 Q A -0.7785
270 F A 1.1611
271 C A 0.7593
272 T A 0.4872
273 E A -0.3922
274 D A -0.3771
275 V A -0.5673
276 D A -1.2328
277 E A 0.0000
278 C A -0.2119
279 Q A -1.2177
280 L A -0.9745
281 Q A -0.8104
282 P A -0.7534
283 N A -1.1229
284 A A -1.0262
285 C A -1.1343
286 H A -1.0927
287 N A -0.6509
288 G A -0.7462
289 G A -0.4442
290 T A 0.2832
291 C A 0.5745
292 F A 1.6609
293 N A 0.5553
294 T A 0.9146
295 L A 1.3514
296 G A 0.1541
297 G A 0.2471
298 H A 0.1653
299 S A -0.1290
300 C A 0.0000
301 V A 0.1553
302 C A 0.0000
303 V A 1.0811
304 N A 0.1192
305 G A 0.0118
306 W A -0.1224
307 T A 0.0000
308 G A -1.1804
309 E A -1.5016
310 S A -1.2578
311 C A 0.0000
312 S A -1.1395
313 Q A -1.3371
314 N A -0.6259
315 I A -0.3024
316 D A -1.4670
317 D A -0.8995
318 C A -0.2016
319 A A -0.3458
320 T A 0.4672
321 A A 1.1414
322 V A 1.7895
323 C A 1.8108
324 F A 1.7487
325 H A -0.0687
326 G A -0.5274
327 A A -0.1434
328 T A 0.0975
329 C A 0.4726
330 H A -0.5885
331 D A -1.2668
332 R A -1.5537
333 V A 0.1909
334 A A -0.3609
335 S A -0.5097
336 F A 0.0000
337 Y A 0.9490
338 C A 0.0000
339 A A 1.0430
340 C A 0.5539
341 P A 0.0726
342 M A 0.2582
343 G A -0.9882
344 K A -1.8630
345 T A 0.0000
346 G A 0.6018
347 L A 1.9348
348 L A 1.7661
349 C A 1.2771
350 H A 0.6330
351 L A 0.3971
352 D A -1.5332
353 D A 0.0000
354 A A -0.8538
355 C A 0.0000
356 V A -0.6703
357 S A -0.4698
358 N A 0.0000
359 P A 0.0000
360 C A 0.0000
361 H A 0.0000
362 E A -3.5502
363 D A -2.6891
364 A A -0.7194
365 I A 1.3291
366 C A 0.4608
367 D A -0.5862
368 T A 0.0000
369 N A -1.2171
370 P A -0.6044
371 V A 0.6728
372 N A -1.2372
373 G A -1.2456
374 R A -2.1453
375 A A -1.0542
376 I A 0.1182
377 C A 0.3735
378 T A 0.4137
379 C A -0.2589
380 P A -0.6391
381 P A -1.4191
382 G A -2.0249
383 F A -1.9516
384 T A 0.0000
385 G A -1.0649
386 G A -0.8975
387 A A 0.0000
388 C A -0.7597
389 D A -1.6486
390 Q A -1.5776
391 D A -2.8589
392 V A 0.0000
393 D A -2.0765
394 E A -2.1653
395 C A -0.3374
396 S A 0.4693
397 I A 1.3459
398 G A 0.5232
399 A A -0.0699
400 N A -1.0765
401 P A -1.0736
402 C A -1.6366
403 E A -2.2171
404 H A -1.3233
405 L A -0.8742
406 G A -1.5668
407 R A -1.8593
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A -0.7087
412 Q A -1.9928
413 G A -1.6145
414 S A -0.7163
415 F A -0.2997
416 L A -0.6765
417 C A 0.0000
418 Q A 0.0000
419 C A -1.5842
420 G A -1.2904
421 R A -0.8716
422 G A -0.4792
423 Y A -0.6266
424 T A -0.9403
425 G A 0.0000
426 P A -1.2328
427 R A -2.1183
428 C A -1.4466
429 E A -2.4756
430 T A -1.7690
431 D A -1.2546
432 V A -0.2600
433 N A -0.2405
434 E A -0.3888
435 C A 0.0127
436 L A 0.0000
437 S A -0.5579
438 G A -0.3758
439 P A -0.5474
440 C A -0.5301
441 R A -1.3443
442 N A -1.3782
443 Q A -1.6546
444 A A 0.0000
445 T A 0.0083
446 C A 0.5928
447 L A 0.6022
448 D A -0.3008
449 R A -0.5254
450 I A 0.6040
451 G A -0.4691
452 Q A -0.0045
453 F A 1.8670
454 T A 0.0000
455 C A 1.1339
456 I A 1.5830
457 C A 0.5746
458 M A 0.5378
459 A A 0.4643
460 G A 0.2197
461 F A 0.8702
462 T A 0.4933
463 G A -0.0963
464 T A 0.2830
465 Y A 1.4140
466 C A 0.0000
467 E A 0.2365
468 V A 1.6180
469 D A 0.7914
470 I A 0.9964
471 D A -1.0662
472 E A -2.5559
473 C A 0.0000
474 Q A -2.0131
475 S A -1.5276
476 S A -0.8045
477 P A -0.2836
478 C A -0.1693
479 V A 0.6601
480 N A -0.9883
481 G A -0.8684
482 G A -0.9529
483 V A -0.7427
484 C A -1.4157
485 K A -2.5593
486 D A -2.6522
487 R A -2.2851
488 V A -0.2104
489 N A -1.2570
490 G A -1.4606
491 F A -1.6592
492 S A -1.1505
493 C A 0.0000
494 T A 0.1227
495 C A 0.0000
496 P A -0.0151
497 S A -0.7112
498 G A -0.3436
499 F A 1.3733
500 S A 0.2912
501 G A -0.2715
502 S A -0.8409
503 T A -0.3119
504 C A -0.0903
505 Q A -0.9150
506 L A -0.1944
507 D A -1.4642
508 V A -1.7011
509 D A -2.6883
510 E A -2.1789
511 C A 0.0000
512 A A -0.6244
513 S A -0.8191
514 T A -0.5094
515 P A -0.8581
516 C A -1.6722
517 R A -2.7790
518 N A -2.9541
519 G A -2.2913
520 A A -2.4320
521 K A -2.5280
522 C A -0.7827
523 V A -0.5377
524 D A -1.8650
525 Q A -2.1676
526 P A -2.0751
527 D A -2.6321
528 G A -1.7252
529 Y A -1.5311
530 E A -2.4357
531 C A -1.9264
532 R A -2.5675
533 C A -2.3539
534 A A -1.7396
535 E A -2.0709
536 G A -1.1222
537 F A -1.0515
538 E A -1.8644
539 G A -1.2326
540 T A -0.7097
541 L A 0.0788
542 C A 0.0000
543 D A -2.3420
544 R A -2.6032
545 N A -1.4416
546 V A 0.0461
547 D A -0.5694
548 D A -1.4686
549 C A 0.0000
550 S A -1.0546
551 P A -1.9358
552 D A -2.5853
553 P A -2.3727
554 C A 0.0000
555 H A -2.5184
556 H A -2.1136
557 G A -1.8406
558 R A -2.2250
559 C A -1.0576
560 V A 0.2977
561 D A -0.0265
562 G A 0.4846
563 I A 2.0364
564 A A 1.3522
565 S A 0.8043
566 F A 1.5991
567 S A 0.5501
568 C A -0.7930
569 A A -0.4363
570 C A -0.4109
571 A A -0.7047
572 P A 0.1461
573 G A -0.2894
574 Y A -0.4760
575 T A -1.2114
576 G A -1.1936
577 T A -1.6306
578 R A -2.5519
579 C A -2.0269
580 E A -2.8889
581 S A -2.0546
582 Q A -1.8441
583 V A -1.2828
584 D A -2.5550
585 E A -2.4604
586 C A -1.7299
587 R A -2.7406
588 S A -1.9885
589 Q A -2.2724
590 P A -1.3545
591 C A -1.4877
592 R A -3.3243
593 H A -2.8490
594 G A -1.6591
595 G A -1.4621
596 K A -1.6137
597 C A -0.9845
598 L A -0.1458
599 D A -1.5393
600 L A -0.0359
601 V A 0.2674
602 D A -1.1336
603 K A -1.4774
604 Y A -1.0132
605 L A -0.0811
606 C A 0.0000
607 R A -1.6747
608 C A 0.0000
609 P A -1.1767
610 S A -0.7290
611 G A -0.2737
612 T A 0.1572
613 T A 0.2190
614 G A -0.1180
615 V A 0.8030
616 N A -0.4646
617 C A 0.0000
618 E A -1.2721
619 V A 1.2840
620 N A 0.5343
621 I A 1.5308
622 D A -0.3456
623 D A -1.7374
624 C A 0.0000
625 A A -0.7213
626 S A -0.9240
627 N A -1.4274
628 P A -0.6666
629 C A 0.0000
630 T A 0.7607
631 F A 2.3566
632 G A 1.9451
633 V A 2.1356
634 C A 0.6251
635 R A -1.3997
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1995 F A 0.0000
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1998 R A 0.0000
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2250 E A -3.2315
2251 S A 0.0000
2252 P A -1.7310
2253 E A -2.6750
2254 H A -2.3596
2255 W A 0.0000
2256 A A -1.1476
2257 S A -0.7457
2258 P A -0.4216
2259 S A -0.3499
2260 P A -0.5749
2261 P A -0.7079
2262 S A -0.8040
2263 L A -0.5776
2264 S A -0.8864
2265 D A -2.0094
2266 W A -1.5520
2267 S A -1.9873
2268 E A -2.6827
2269 S A -1.8608
2270 T A -1.2368
2271 P A -1.2327
2272 S A -1.1254
2273 P A -0.9709
2274 A A -1.1444
2275 T A -0.5441
2276 A A -0.4037
2277 T A -0.4255
2278 G A -0.4875
2279 A A 0.0405
2280 M A 0.8905
2281 A A 0.2772
2282 T A -0.1019
2283 T A -0.1148
2284 T A -0.2580
2285 G A -0.2784
2286 A A -0.0809
2287 L A 0.0000
2288 P A -0.5571
2289 A A 0.0000
2290 Q A -0.6760
2291 P A -0.2786
2292 L A -0.2568
2293 P A -0.0678
2294 L A 0.4763
2295 S A 0.4216
2296 V A 1.0848
2297 P A 0.3867
2298 S A 0.1386
2299 S A -0.1656
2300 L A 0.0123
2301 A A -0.6688
2302 Q A -1.5177
2303 A A 0.0000
2304 Q A -1.5583
2305 T A -0.9999
2306 Q A -1.0025
2307 L A -0.6515
2308 G A -0.7305
2309 P A -0.8622
2310 Q A -1.2859
2311 P A -1.1521
2312 E A -1.4420
2313 V A 0.1580
2314 T A -0.8041
2315 P A -1.6047
2316 K A -2.9514
2317 R A -3.2277
2318 Q A -1.5430
2319 V A 1.0698
2320 L A 1.0454
2321 A A 0.6060
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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, -0.563 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_8 -0.563 View CSV PDB
model_2 -0.5729 View CSV PDB
model_7 -0.575 View CSV PDB
model_5 -0.583 View CSV PDB
model_6 -0.5832 View CSV PDB
model_3 -0.5842 View CSV PDB
model_4 -0.5856 View CSV PDB
CABS_average -0.5889 View CSV PDB
model_1 -0.5899 View CSV PDB
model_0 -0.5949 View CSV PDB
model_10 -0.5963 View CSV PDB
model_9 -0.6078 View CSV PDB
model_11 -0.631 View CSV PDB
input -0.7564 View CSV PDB