Project name: C212Y

Status: done

Started: 2026-05-06 05:36:50
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTYRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:20:07)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:16:32)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:17:11)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:17:49)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:18:27)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:19:06)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:19:44)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:20:22)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:21:00)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:21:39)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:22:17)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:22:55)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:23:33)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:24:11)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:25:25)
[INFO]       Main:     Simulation completed successfully.                                          (12:26:03)
Show buried residues

Minimal score value
-4.1943
Maximal score value
4.4812
Average score
-0.5625
Total score value
-1305.6612

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 0.5477
2 G A -1.6038
3 P A -0.8563
4 G A -1.1830
5 A A -1.4612
6 R A -2.1614
7 G A -2.6932
8 R A -4.0606
9 R A -3.9245
10 R A -4.0400
11 R A -4.1898
12 R A -4.1943
13 R A -2.9748
14 P A -1.2875
15 M A 0.1914
16 S A -0.1392
17 P A -0.3822
18 P A -0.6225
19 P A -0.9780
20 P A -0.8457
21 P A -0.3818
22 P A 0.0180
23 P A 0.1278
24 V A 0.9163
25 R A -0.6310
26 A A 0.2955
27 L A 1.8254
28 P A 1.7436
29 L A 2.6884
30 L A 3.1844
31 L A 2.0630
32 L A 1.8253
33 L A 1.9332
34 A A 0.6609
35 G A -0.3764
36 P A -0.5193
37 G A -1.3160
38 A A -0.9449
39 A A -0.7724
40 A A -0.4063
41 P A 0.0000
42 P A -0.2478
43 C A 0.4568
44 L A 0.8656
45 D A -0.3185
46 G A -0.4906
47 S A -0.7488
48 P A -0.8407
49 C A 0.0000
50 A A -0.9938
51 N A -2.0186
52 G A -1.0785
53 G A -0.8647
54 R A -1.5711
55 C A -0.4068
56 T A -1.0210
57 Q A -1.6279
58 L A -1.3363
59 P A -1.1600
60 S A -1.7429
61 R A -2.9574
62 E A -2.7150
63 A A -0.8923
64 A A -0.1782
65 C A 0.4587
66 L A 1.1099
67 C A -0.0807
68 P A -0.6925
69 P A -0.9660
70 G A -0.6280
71 W A -0.4121
72 V A -0.6711
73 G A -1.0585
74 E A -1.7674
75 R A -1.3250
76 C A -0.3596
77 Q A 0.0000
78 L A 0.0000
79 E A -1.3196
80 D A -1.3723
81 P A -1.0331
82 C A -0.9362
83 H A -1.2931
84 S A -0.8657
85 G A -0.7347
86 P A -0.6346
87 C A -1.0932
88 A A -1.1196
89 G A -1.3033
90 R A -2.1801
91 G A -1.3455
92 V A -0.8522
93 C A -0.6297
94 Q A -0.9690
95 S A -0.6222
96 S A -1.0263
97 V A -0.7908
98 V A 0.0000
99 A A -0.9181
100 G A 0.0000
101 T A -1.0410
102 A A 0.0000
103 R A -0.9505
104 F A -0.8094
105 S A 0.0000
106 C A 0.0000
107 R A -1.3995
108 C A 0.0000
109 P A -1.1659
110 R A -2.2585
111 G A -1.2399
112 F A -0.3338
113 R A -0.9670
114 G A 0.0000
115 P A 0.0000
116 D A -2.0826
117 C A -1.3821
118 S A -0.4719
119 L A -0.2364
120 P A 0.0000
121 D A -1.6972
122 P A -0.5821
123 C A -0.2621
124 L A 0.0000
125 S A 0.0000
126 S A 0.0000
127 P A -0.4349
128 C A 0.0000
129 A A -1.2757
130 H A -1.3153
131 G A -1.0687
132 A A -0.9613
133 R A -0.8308
134 C A 0.0000
135 S A 0.3500
136 V A 0.0000
137 G A -0.1577
138 P A -1.1102
139 D A -1.6764
140 G A -0.8371
141 R A 0.0000
142 F A 1.3867
143 L A 1.1245
144 C A 0.0000
145 S A -0.5292
146 C A 0.0000
147 P A -0.2900
148 P A 0.0000
149 G A 0.2500
150 Y A 0.4278
151 Q A -0.7489
152 G A -0.8784
153 R A -1.4141
154 S A -0.5832
155 C A -0.8884
156 R A -2.0558
157 S A -1.3593
158 D A -0.5298
159 V A 0.0506
160 D A -0.6494
161 E A -0.6852
162 C A -0.3518
163 R A -1.4147
164 V A -0.3052
165 G A -0.7718
166 E A -1.1670
167 P A -0.9312
168 C A -1.2299
169 R A -2.2364
170 H A -1.8911
171 G A -1.2601
172 G A -0.9384
173 T A 0.0000
174 C A -0.3283
175 L A 0.6467
176 N A -0.1035
177 T A -0.1611
178 P A -0.4702
179 G A -0.5361
180 S A -0.1309
181 F A 0.0000
182 R A -0.5327
183 C A 0.0000
184 Q A -0.7716
185 C A -0.6483
186 P A -0.2758
187 A A -0.2781
188 G A 0.0000
189 Y A -0.1900
190 T A -0.3874
191 G A 0.0000
192 P A 0.0176
193 L A 1.0314
194 C A 0.4584
195 E A -1.1625
196 N A -0.5276
197 P A -0.2830
198 A A 0.4692
199 V A 1.6428
200 P A 0.3883
201 C A 0.0655
202 A A -0.0516
203 P A -0.4807
204 S A -0.5292
205 P A -1.0009
206 C A -1.3377
207 R A -2.6412
208 N A -2.3861
209 G A -1.6451
210 G A -1.3687
211 T A -0.9578
212 Y A -1.2119
213 R A -2.5061
214 Q A -2.3678
215 S A -1.7023
216 G A -1.6504
217 D A -1.8447
218 L A -0.4037
219 T A -0.2679
220 Y A -0.8756
221 D A -1.3425
222 C A 0.0000
223 A A -1.4952
224 C A -1.3905
225 L A -1.4053
226 P A -1.2882
227 G A -0.8607
228 F A -0.7411
229 E A -2.0590
230 G A -1.9230
231 Q A -2.1732
232 N A -2.2556
233 C A 0.0000
234 E A -2.0682
235 V A -0.3259
236 N A -0.2863
237 V A 0.8876
238 D A -0.4008
239 D A -1.3458
240 C A -0.4307
241 P A -0.7930
242 G A -1.4589
243 H A -1.5572
244 R A -2.0469
245 C A 0.0000
246 L A 0.3668
247 N A -0.4163
248 G A -0.3461
249 G A -0.1392
250 T A 0.1875
251 C A 0.3666
252 V A 0.4186
253 D A -0.2806
254 G A 0.2957
255 V A 0.4221
256 N A -0.7255
257 T A 0.1124
258 Y A 0.4808
259 N A 0.0998
260 C A 0.3624
261 Q A -0.5236
262 C A -0.2661
263 P A -0.6423
264 P A -0.6407
265 E A -0.5852
266 W A 0.0000
267 T A -0.6070
268 G A -0.5325
269 Q A -0.4595
270 F A 0.7434
271 C A 0.0000
272 T A -0.9734
273 E A -1.1383
274 D A -1.1582
275 V A -0.5166
276 D A -0.9831
277 E A -0.6750
278 C A 0.0000
279 Q A -1.1872
280 L A -0.3687
281 Q A -0.8899
282 P A -0.8215
283 N A -0.9487
284 A A -0.9951
285 C A 0.0000
286 H A -1.8525
287 N A -1.7394
288 G A -1.3221
289 G A -1.1947
290 T A -0.3198
291 C A 0.3203
292 F A 1.3267
293 N A -0.1904
294 T A 0.2239
295 L A 0.7984
296 G A -0.4398
297 G A -0.2789
298 H A -0.2694
299 S A 0.0000
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A 0.0000
306 W A -0.3041
307 T A 0.0000
308 G A -1.3036
309 E A -1.3830
310 S A -0.9599
311 C A 0.0000
312 S A -1.3068
313 Q A -1.9936
314 N A -2.0344
315 I A -1.3857
316 D A -2.0238
317 D A 0.0000
318 C A -0.1962
319 A A 0.1389
320 T A 0.2712
321 A A 0.7967
322 V A 1.5151
323 C A 0.0000
324 F A 1.3899
325 H A -0.3967
326 G A -0.2249
327 A A 0.5270
328 T A 0.2934
329 C A 0.4156
330 H A -0.6417
331 D A -1.5327
332 R A -1.3826
333 V A -0.8095
334 A A 0.0000
335 S A 0.0000
336 F A -0.0411
337 Y A 0.2298
338 C A 0.7614
339 A A 0.5693
340 C A 0.3624
341 P A -0.1315
342 M A 0.3214
343 G A -0.7127
344 K A -0.9733
345 T A 0.0000
346 G A 0.4886
347 L A 1.6648
348 L A 1.1831
349 C A 0.0000
350 H A -0.2996
351 L A -0.7319
352 D A -2.1762
353 D A -1.5902
354 A A -0.8471
355 C A 0.0647
356 V A 0.4288
357 S A 0.1980
358 N A 0.0000
359 P A 0.0323
360 C A -0.1083
361 H A 0.0000
362 E A -2.2196
363 D A -2.2764
364 A A -0.8221
365 I A 0.6472
366 C A 0.0000
367 D A -0.5208
368 T A 0.0000
369 N A -0.9018
370 P A -0.3507
371 V A 0.7486
372 N A -1.3500
373 G A -1.6466
374 R A -2.2230
375 A A -1.1035
376 I A 0.4981
377 C A 0.0000
378 T A 0.5364
379 C A 0.0000
380 P A -0.6922
381 P A -0.2912
382 G A 0.2081
383 F A 0.0000
384 T A 0.0347
385 G A 0.0000
386 G A 0.0000
387 A A 0.0000
388 C A 0.0000
389 D A 0.0000
390 Q A 0.0000
391 D A 0.0000
392 V A 0.7130
393 D A 0.2379
394 E A -0.3267
395 C A 0.0000
396 S A -1.0884
397 I A -1.0579
398 G A -0.9278
399 A A -1.2304
400 N A -2.0364
401 P A -1.7061
402 C A 0.0000
403 E A -2.3145
404 H A -1.3137
405 L A 0.2831
406 G A -0.9435
407 R A -2.0053
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A 0.0000
412 Q A 0.0000
413 G A -0.1317
414 S A 0.5182
415 F A 1.3111
416 L A 1.1385
417 C A -0.8054
418 Q A -1.5063
419 C A -1.5601
420 G A -1.6310
421 R A -1.4697
422 G A -0.6118
423 Y A 0.3359
424 T A 0.0257
425 G A -0.9093
426 P A -1.1942
427 R A -2.0547
428 C A -1.8630
429 E A -1.3058
430 T A -0.3072
431 D A -0.1513
432 V A 0.3473
433 N A -0.2996
434 E A 0.0266
435 C A 0.0000
436 L A 0.3369
437 S A -0.0736
438 G A -0.2771
439 P A -0.5956
440 C A 0.0000
441 R A -0.9348
442 N A -0.7152
443 Q A -0.8674
444 A A 0.0000
445 T A 0.8418
446 C A 1.1748
447 L A 1.4594
448 D A -0.2742
449 R A -0.8098
450 I A 1.0780
451 G A -0.2009
452 Q A -0.2704
453 F A 1.0607
454 T A 0.9688
455 C A 1.7306
456 I A 2.5470
457 C A 0.7918
458 M A 0.2371
459 A A 0.0323
460 G A 0.0000
461 F A 0.0000
462 T A 0.0000
463 G A -0.5212
464 T A -0.4164
465 Y A 0.2689
466 C A 0.0000
467 E A -0.6102
468 V A 0.0000
469 D A 0.0000
470 I A 0.0000
471 D A -2.5745
472 E A 0.0000
473 C A -1.3488
474 Q A -1.7199
475 S A -1.1739
476 S A -0.1479
477 P A -0.1878
478 C A 0.2486
479 V A 0.7997
480 N A -0.9231
481 G A -0.6408
482 G A -0.1299
483 V A 0.4701
484 C A 0.2661
485 K A -1.1474
486 D A -1.7175
487 R A -1.6246
488 V A -0.0317
489 N A 0.0000
490 G A -0.0505
491 F A 0.7044
492 S A 0.1620
493 C A 0.3966
494 T A 0.5599
495 C A 0.0000
496 P A -0.0735
497 S A -0.7825
498 G A -0.2299
499 F A 1.1862
500 S A 0.0694
501 G A -0.5228
502 S A -0.5389
503 T A -0.5935
504 C A -0.1655
505 Q A -0.6996
506 L A -0.5874
507 D A -1.3826
508 V A -1.7145
509 D A -2.6073
510 E A -1.9515
511 C A 0.0000
512 A A -0.7004
513 S A -0.6341
514 T A 0.1319
515 P A -0.6900
516 C A -1.9882
517 R A -3.2619
518 N A -2.8941
519 G A -2.0870
520 A A -2.1776
521 K A -2.7361
522 C A -1.7490
523 V A -1.1786
524 D A -1.7721
525 Q A -2.2044
526 P A -2.2285
527 D A -2.7004
528 G A -1.5090
529 Y A -0.5280
530 E A -1.3273
531 C A 0.0000
532 R A -2.7397
533 C A 0.0000
534 A A -1.4423
535 E A -1.8253
536 G A -1.3776
537 F A -1.0239
538 E A -2.1626
539 G A -1.6401
540 T A -0.4844
541 L A 0.2325
542 C A 0.0000
543 D A -1.9841
544 R A -2.9395
545 N A -2.1534
546 V A -0.3098
547 D A -2.1181
548 D A -2.3233
549 C A -1.6639
550 S A -1.8317
551 P A -1.8598
552 D A -2.5205
553 P A -1.9490
554 C A -1.5835
555 H A -2.0032
556 H A -1.8379
557 G A -1.6092
558 R A -1.9722
559 C A -0.8947
560 V A -0.2218
561 D A -1.3875
562 G A -0.0929
563 I A 1.3500
564 A A 0.6772
565 S A 0.3160
566 F A 0.0396
567 S A -0.0933
568 C A -1.0020
569 A A -0.4609
570 C A -0.5039
571 A A -0.2495
572 P A -0.4498
573 G A -0.4571
574 Y A 0.0792
575 T A -0.7258
576 G A -0.8710
577 T A -1.0384
578 R A -2.0762
579 C A -1.2937
580 E A -1.6919
581 S A -0.9986
582 Q A -1.2219
583 V A -0.5135
584 D A -1.6041
585 E A -1.9120
586 C A -1.1602
587 R A -2.7672
588 S A -2.7268
589 Q A -2.3991
590 P A -1.8333
591 C A 0.0000
592 R A -2.9821
593 H A -2.0894
594 G A -2.4149
595 G A -1.9671
596 K A -2.1482
597 C A -1.2785
598 L A 0.1788
599 D A -0.9564
600 L A 0.8945
601 V A 0.7742
602 D A -0.8897
603 K A -1.0409
604 Y A 0.0000
605 L A -0.3131
606 C A -1.6061
607 R A -2.0284
608 C A -1.7301
609 P A -1.0498
610 S A -0.8350
611 G A -0.9521
612 T A -0.6308
613 T A -0.7389
614 G A -0.5047
615 V A 0.3318
616 N A -1.3614
617 C A -1.2885
618 E A -1.6756
619 V A -1.1103
620 N A -1.9378
621 I A -1.6384
622 D A -2.5534
623 D A -2.0811
624 C A -1.1014
625 A A -0.1012
626 S A 0.7220
627 N A 0.4934
628 P A 0.0196
629 C A 0.5902
630 T A 0.8411
631 F A 1.9825
632 G A 1.3167
633 V A 1.5701
634 C A 0.0821
635 R A -2.4389
636 D A -3.0688
637 G A -1.7320
638 I A -0.0789
639 N A -1.6432
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2258 P A -1.2647
2259 S A 0.0000
2260 P A -1.1672
2261 P A -0.6774
2262 S A 0.2442
2263 L A 1.0462
2264 S A -0.1175
2265 D A -1.3613
2266 W A -0.6923
2267 S A -0.7629
2268 E A 0.0000
2269 S A -0.3373
2270 T A -0.2401
2271 P A -0.2979
2272 S A -0.1796
2273 P A -0.3515
2274 A A -0.1332
2275 T A -0.1513
2276 A A -0.1945
2277 T A -0.1287
2278 G A -0.3614
2279 A A 0.1817
2280 M A 0.5275
2281 A A 0.2229
2282 T A 0.0000
2283 T A 0.0857
2284 T A 0.0000
2285 G A -0.6011
2286 A A 0.2869
2287 L A 1.2171
2288 P A 0.5381
2289 A A 0.1865
2290 Q A -0.4113
2291 P A -0.3399
2292 L A 0.4489
2293 P A 0.1390
2294 L A -0.0826
2295 S A -0.4148
2296 V A 0.0000
2297 P A -0.5579
2298 S A -0.2984
2299 S A 0.0000
2300 L A 0.3865
2301 A A -0.6160
2302 Q A 0.0000
2303 A A -0.9988
2304 Q A -2.2456
2305 T A 0.0000
2306 Q A -1.8724
2307 L A 0.0000
2308 G A -1.2247
2309 P A -1.0664
2310 Q A -1.2735
2311 P A -1.3667
2312 E A -2.0765
2313 V A -0.1832
2314 T A -1.1036
2315 P A -1.6285
2316 K A -2.4830
2317 R A -2.3024
2318 Q A -0.7894
2319 V A 0.4286
2320 L A 1.2446
2321 A A 0.6642
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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, -0.5625 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_6 -0.5625 View CSV PDB
model_4 -0.5863 View CSV PDB
model_8 -0.5951 View CSV PDB
model_7 -0.5969 View CSV PDB
model_0 -0.6004 View CSV PDB
CABS_average -0.6124 View CSV PDB
model_10 -0.6183 View CSV PDB
model_5 -0.6208 View CSV PDB
model_1 -0.6219 View CSV PDB
model_3 -0.6252 View CSV PDB
model_9 -0.6352 View CSV PDB
model_2 -0.639 View CSV PDB
model_11 -0.6473 View CSV PDB
input -0.746 View CSV PDB