Project name: C493S_5_4D

Status: done

Started: 2026-05-19 00:24:00
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSSTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                                (00:32:03)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (17:51:18)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (17:52:00)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (17:52:42)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (17:53:24)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (17:54:07)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (17:54:50)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (17:55:31)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (17:56:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (17:56:55)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (17:57:35)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (17:58:16)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (17:58:56)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (17:59:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (18:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (18:01:35)
Show buried residues

Minimal score value
-2.7583
Maximal score value
2.3285
Average score
-0.2344
Total score value
-544.1294

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 0.9985
2 G A -0.1641
3 P A -0.3595
4 G A -0.1410
5 A A -0.3360
6 R A -1.8933
7 G A -1.0046
8 R A -2.2597
9 R A -2.5541
10 R A -2.5549
11 R A -2.3588
12 R A -1.3647
13 R A -1.2076
14 P A -0.3168
15 M A 0.5645
16 S A -0.0918
17 P A -0.0775
18 P A -0.0552
19 P A -0.0825
20 P A -0.2983
21 P A -0.2882
22 P A -0.2389
23 P A 0.1460
24 V A 1.3897
25 R A -1.5081
26 A A -0.0095
27 L A 1.6277
28 P A 0.3166
29 L A 1.7904
30 L A 2.1091
31 L A 2.1332
32 L A 2.1410
33 L A 1.8508
34 A A 0.2397
35 G A -0.4796
36 P A -0.2784
37 G A -0.4820
38 A A -0.0693
39 A A 0.0662
40 A A -0.0302
41 P A -0.2683
42 P A -0.1230
43 C A 0.2922
44 L A 0.5741
45 D A -1.7029
46 G A -0.8199
47 S A -0.2139
48 P A -0.2098
49 C A 0.0506
50 A A -0.2087
51 N A -1.3745
52 G A -0.7398
53 G A -0.7450
54 R A -1.8763
55 C A 0.0000
56 T A 0.0000
57 Q A -1.1541
58 L A -0.0569
59 P A -0.2848
60 S A -0.3122
61 R A -0.5537
62 E A -1.1269
63 A A -0.4761
64 A A 0.0000
65 C A 0.0000
66 L A 1.4239
67 C A 0.0000
68 P A -0.1847
69 P A -0.3023
70 G A -0.1351
71 W A 0.0846
72 V A 0.2388
73 G A -0.4697
74 E A -1.9971
75 R A -1.2392
76 C A 0.0000
77 Q A -0.1875
78 L A 0.0000
79 E A -1.9670
80 D A -1.1162
81 P A -0.1944
82 C A 0.0872
83 H A -0.3843
84 S A -0.3452
85 G A -0.4224
86 P A -0.2678
87 C A 0.2042
88 A A -0.0384
89 G A -0.5294
90 R A -0.4924
91 G A 0.0824
92 V A 1.5443
93 C A 0.0000
94 Q A -0.8361
95 S A -0.1647
96 S A -0.1865
97 V A 0.8252
98 V A 1.5114
99 A A 0.2158
100 G A -0.4006
101 T A -0.1422
102 A A -0.2903
103 R A -1.7590
104 F A 0.1334
105 S A 0.0551
106 C A 0.0000
107 R A -1.8245
108 C A -0.2911
109 P A -0.5700
110 R A -1.8904
111 G A 0.0000
112 F A 1.9410
113 R A 0.0000
114 G A -0.5158
115 P A -0.4882
116 D A -0.7723
117 C A 0.0003
118 S A -0.1473
119 L A 0.0958
120 P A -0.2826
121 D A -0.4520
122 P A -0.1966
123 C A 0.0000
124 L A 1.3190
125 S A 0.0256
126 S A -0.0664
127 P A -0.2647
128 C A 0.0326
129 A A -0.0342
130 H A -0.4327
131 G A -0.2314
132 A A -0.2961
133 R A -1.6097
134 C A -0.1181
135 S A 0.1742
136 V A 0.4926
137 G A -0.2655
138 P A -0.6071
139 D A -1.9264
140 G A -1.1600
141 R A -1.5725
142 F A 1.9242
143 L A 1.9333
144 C A 0.4265
145 S A -0.0277
146 C A 0.0000
147 P A -0.2204
148 P A -0.2859
149 G A 0.1168
150 Y A 0.9737
151 Q A -1.0570
152 G A -1.0433
153 R A -1.9556
154 S A -0.5389
155 C A -0.2025
156 R A -0.3536
157 S A -0.4773
158 D A -0.1418
159 V A -0.0068
160 D A -1.7702
161 E A -0.3847
162 C A -0.0998
163 R A -1.4463
164 V A 1.3497
165 G A -0.2037
166 E A -1.8690
167 P A -0.4175
168 C A 0.0000
169 R A -1.9803
170 H A -1.1185
171 G A -0.4345
172 G A -0.3603
173 T A -0.0801
174 C A 0.2989
175 L A 0.4970
176 N A 0.2248
177 T A -0.1184
178 P A -0.2221
179 G A -0.1760
180 S A 0.1309
181 F A 1.5171
182 R A -1.3549
183 C A -0.3416
184 Q A -1.1215
185 C A -0.0925
186 P A -0.1087
187 A A -0.0311
188 G A -0.0663
189 Y A 0.0000
190 T A -0.0225
191 G A 0.0317
192 P A 0.0099
193 L A 1.4923
194 C A 0.0000
195 E A -1.9331
196 N A -1.0055
197 P A -0.3952
198 A A 0.0618
199 V A 0.2687
200 P A -0.0614
201 C A 0.6847
202 A A 0.0000
203 P A -0.2645
204 S A -0.1217
205 P A -0.1478
206 C A 0.0181
207 R A -0.4701
208 N A -1.4099
209 G A -0.7967
210 G A -0.5657
211 T A -0.1209
212 C A -0.2387
213 R A -1.8781
214 Q A -0.6332
215 S A -0.1940
216 G A -0.8153
217 D A -1.5879
218 L A 1.1641
219 T A 0.2728
220 Y A -0.1305
221 D A -1.7326
222 C A -0.2251
223 A A 0.0729
224 C A 0.0000
225 L A 1.5417
226 P A 0.1790
227 G A -0.3171
228 F A 0.3663
229 E A -1.6697
230 G A -1.0291
231 Q A -1.5198
232 N A -1.4692
233 C A -0.1846
234 E A -0.2682
235 V A 0.4923
236 N A 0.0000
237 V A 0.6492
238 D A -0.3269
239 D A -1.5348
240 C A 0.0000
241 P A -0.3441
242 G A -0.7061
243 H A -1.4346
244 R A -2.0183
245 C A 0.0132
246 L A 1.4277
247 N A -0.5306
248 G A -0.6939
249 G A -0.5541
250 T A 0.0000
251 C A 0.3841
252 V A 0.6100
253 D A -0.5130
254 G A 0.0000
255 V A 0.1025
256 N A -1.2198
257 T A -0.1842
258 Y A 0.2512
259 N A -1.0316
260 C A -0.3677
261 Q A -1.1849
262 C A 0.0000
263 P A -0.2307
264 P A -0.2463
265 E A -0.7238
266 W A 0.0250
267 T A -0.0663
268 G A -0.6917
269 Q A -1.0561
270 F A 1.0035
271 C A 0.0000
272 T A -0.3873
273 E A -2.0544
274 D A -1.5373
275 V A 0.0000
276 D A -1.4047
277 E A -0.3057
278 C A 0.0528
279 Q A -0.9717
280 L A 0.6917
281 Q A -0.0273
282 P A -0.4230
283 N A -1.2942
284 A A -0.1853
285 C A -0.0631
286 H A -1.1358
287 N A -0.8220
288 G A -0.4559
289 G A -0.4901
290 T A 0.0018
291 C A 0.7941
292 F A 1.8839
293 N A -0.4146
294 T A 0.1001
295 L A 1.4513
296 G A -0.1911
297 G A -0.2303
298 H A -0.3491
299 S A -0.3050
300 C A 0.0000
301 V A 0.9737
302 C A 0.0000
303 V A 0.3978
304 N A -0.1891
305 G A -0.1562
306 W A 0.0000
307 T A -0.0620
308 G A -0.5546
309 E A -1.9048
310 S A -0.5708
311 C A 0.0000
312 S A -0.2859
313 Q A -0.7904
314 N A -1.2627
315 I A -0.0081
316 D A -1.7555
317 D A -0.6159
318 C A 0.3481
319 A A 0.1435
320 T A -0.0572
321 A A 0.3424
322 V A 1.7754
323 C A 0.0000
324 F A 1.7605
325 H A -0.6768
326 G A -0.6416
327 A A -0.0581
328 T A 0.0224
329 C A 0.0510
330 H A -1.1104
331 D A -1.3498
332 R A -1.9608
333 V A -0.0823
334 A A 0.0600
335 S A -0.0022
336 F A 0.4362
337 Y A 1.3522
338 C A 0.0000
339 A A 0.0268
340 C A 0.0000
341 P A -0.0634
342 M A 1.0070
343 G A 0.0000
344 K A -1.1233
345 T A -0.2474
346 G A -0.1334
347 L A 1.5254
348 L A 1.8099
349 C A 0.4270
350 H A -0.5892
351 L A 0.1670
352 D A -0.2409
353 D A -0.5929
354 A A -0.0371
355 C A 0.3918
356 V A 1.4718
357 S A -0.0524
358 N A -0.7759
359 P A -0.3326
360 C A 0.0883
361 H A -1.1398
362 E A -2.3146
363 D A -2.1305
364 A A 0.0000
365 I A 2.0417
366 C A 0.4692
367 D A -0.4211
368 T A 0.0000
369 N A -0.3019
370 P A -0.1239
371 V A 0.2245
372 N A -1.2684
373 G A -0.9243
374 R A -1.2136
375 A A 0.0480
376 I A 1.1368
377 C A 0.3316
378 T A -0.0194
379 C A 0.0000
380 P A -0.3212
381 P A -0.3448
382 G A -0.0180
383 F A 0.4920
384 T A 0.0184
385 G A -0.5562
386 G A -0.5503
387 A A -0.0325
388 C A -0.1141
389 D A -1.9680
390 Q A -1.6908
391 D A -0.7081
392 V A 1.2921
393 D A -0.8363
394 E A -1.9542
395 C A -0.3059
396 S A -0.0600
397 I A 0.5919
398 G A -0.3181
399 A A -0.0908
400 N A -0.3310
401 P A -0.2099
402 C A -0.0249
403 E A -0.6898
404 H A -0.2070
405 L A 0.5932
406 G A -0.3243
407 R A -1.8463
408 C A -0.2705
409 V A 0.0000
410 N A 0.0000
411 T A -0.2486
412 Q A -1.2493
413 G A -0.5041
414 S A -0.1300
415 F A 0.4772
416 L A 0.6393
417 C A 0.0000
418 Q A -0.2913
419 C A 0.0209
420 G A -0.1426
421 R A 0.0000
422 G A -0.3204
423 Y A 0.6767
424 T A 0.1120
425 G A -0.1403
426 P A -0.6225
427 R A -1.8752
428 C A -0.3729
429 E A -0.5164
430 T A -0.1645
431 D A 0.0000
432 V A 1.7412
433 N A -0.1747
434 E A -1.8514
435 C A 0.0000
436 L A 1.5248
437 S A 0.1610
438 G A -0.1396
439 P A -0.2375
440 C A -0.1583
441 R A -1.5285
442 N A -1.5646
443 Q A -1.4012
444 A A -0.3621
445 T A 0.0371
446 C A 0.3080
447 L A 0.3137
448 D A -0.4963
449 R A -1.5115
450 I A 1.6134
451 G A 0.1051
452 Q A 0.0000
453 F A 0.3527
454 T A 0.0597
455 C A 0.0000
456 I A 1.1532
457 C A 0.4989
458 M A 0.9849
459 A A 0.1087
460 G A -0.3761
461 F A 0.3889
462 T A 0.0402
463 G A -0.0941
464 T A 0.1824
465 Y A 1.2601
466 C A -0.0147
467 E A -1.7248
468 V A -0.2009
469 D A -1.6609
470 I A -0.4154
471 D A -1.9486
472 E A -1.3175
473 C A 0.4417
474 Q A -0.3289
475 S A -0.3056
476 S A -0.1442
477 P A -0.2178
478 C A 0.2914
479 V A 0.2319
480 N A -1.2828
481 G A -0.7937
482 G A -0.4731
483 V A 0.3603
484 C A -0.0545
485 K A -1.5047
486 D A -1.6709
487 R A -2.0080
488 V A -0.0364
489 N A -0.5095
490 G A -0.1484
491 F A 1.3035
492 S A 0.1161
493 S A -0.0617
494 T A -0.0132
495 C A 0.0059
496 P A -0.2455
497 S A -0.1565
498 G A -0.1406
499 F A 1.0109
500 S A -0.0384
501 G A -0.2080
502 S A -0.1575
503 T A -0.0507
504 C A 0.0000
505 Q A -0.7735
506 L A -0.2788
507 D A -1.6911
508 V A -0.2373
509 D A -1.7317
510 E A 0.0000
511 C A 0.0000
512 A A 0.0204
513 S A -0.1958
514 T A -0.1294
515 P A -0.2631
516 C A 0.0000
517 R A -2.0867
518 N A -1.7112
519 G A -0.7015
520 A A -0.3926
521 K A -1.6710
522 C A -0.0243
523 V A 0.3374
524 D A -0.6971
525 Q A -1.2319
526 P A -0.6827
527 D A -1.8159
528 G A -0.2900
529 Y A 1.0422
530 E A -1.0120
531 C A -0.2975
532 R A -1.7438
533 C A -0.1002
534 A A -0.2160
535 E A -1.8641
536 G A -0.5564
537 F A -0.2598
538 E A -1.8307
539 G A -0.6775
540 T A 0.2067
541 L A 1.5411
542 C A 0.0000
543 D A -2.0128
544 R A -1.7799
545 N A -1.4360
546 V A -0.3851
547 D A -1.9866
548 D A -1.4786
549 C A 0.4741
550 S A 0.0747
551 P A -0.4779
552 D A -1.8244
553 P A -0.3549
554 C A 0.0043
555 H A -1.0661
556 H A -1.1946
557 G A -0.7972
558 R A -1.8291
559 C A 0.1184
560 V A 0.9013
561 D A 0.1097
562 G A -0.1152
563 I A 1.9270
564 A A 0.2863
565 S A 0.1621
566 F A 1.8501
567 S A 0.3679
568 C A 0.2532
569 A A -0.0969
570 C A 0.1243
571 A A -0.0237
572 P A -0.2442
573 G A 0.0000
574 Y A 0.0051
575 T A -0.0851
576 G A -0.5451
577 T A -0.4736
578 R A -1.8922
579 C A 0.0000
580 E A -1.7697
581 S A -0.6670
582 Q A -1.1010
583 V A 0.1303
584 D A -0.7621
585 E A -1.9164
586 C A 0.0000
587 R A -1.8839
588 S A -0.6328
589 Q A -0.5021
590 P A -0.3633
591 C A 0.0000
592 R A -2.0832
593 H A -1.4287
594 G A -0.9355
595 G A -0.8574
596 K A -1.7513
597 C A 0.0861
598 L A 1.1462
599 D A -0.1440
600 L A 1.1747
601 V A 0.2580
602 D A -1.9938
603 K A -1.6706
604 Y A 0.4068
605 L A 1.1069
606 C A 0.0010
607 R A -1.6066
608 C A 0.0000
609 P A -0.2608
610 S A -0.1683
611 G A -0.4758
612 T A -0.1068
613 T A 0.0000
614 G A -0.0190
615 V A 1.3638
616 N A -0.3214
617 C A 0.1019
618 E A 0.0000
619 V A 0.8975
620 N A 0.2213
621 I A 1.6502
622 D A -1.5338
623 D A -0.7634
624 C A 0.6270
625 A A 0.1177
626 S A -0.4497
627 N A -1.3262
628 P A -0.3112
629 C A 0.0000
630 T A 0.2993
631 F A 1.9061
632 G A 0.6255
633 V A 1.7746
634 C A 0.1313
635 R A -1.9971
636 D A -1.1804
637 G A -0.2498
638 I A 1.3279
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1994 H A -1.2890
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2251 S A -0.3625
2252 P A -0.3101
2253 E A -1.1826
2254 H A -0.9515
2255 W A 1.0043
2256 A A 0.2046
2257 S A -0.2169
2258 P A -0.1221
2259 S A -0.2307
2260 P A -0.1398
2261 P A -0.3039
2262 S A -0.1150
2263 L A 0.7032
2264 S A -0.1580
2265 D A -0.9649
2266 W A 0.9419
2267 S A -0.1581
2268 E A -1.6301
2269 S A -0.5110
2270 T A -0.0733
2271 P A -0.1366
2272 S A -0.0825
2273 P A -0.1735
2274 A A 0.0000
2275 T A -0.0004
2276 A A 0.0540
2277 T A -0.0833
2278 G A -0.4201
2279 A A 0.1754
2280 M A 1.0756
2281 A A 0.2475
2282 T A -0.0731
2283 T A -0.0864
2284 T A -0.0601
2285 G A -0.1785
2286 A A 0.3107
2287 L A 1.5103
2288 P A 0.0467
2289 A A -0.2236
2290 Q A -1.2072
2291 P A -0.0299
2292 L A 1.5004
2293 P A 0.3441
2294 L A 1.0335
2295 S A 0.1271
2296 V A 0.6015
2297 P A -0.0920
2298 S A -0.1634
2299 S A -0.1179
2300 L A 0.5427
2301 A A -0.0920
2302 Q A -1.3147
2303 A A -0.4284
2304 Q A -1.3241
2305 T A -0.4835
2306 Q A -0.9052
2307 L A 1.2680
2308 G A -0.0111
2309 P A -0.4158
2310 Q A -0.7122
2311 P A -0.4914
2312 E A -0.2328
2313 V A 1.0139
2314 T A -0.0175
2315 P A -0.5412
2316 K A -1.8652
2317 R A -2.3478
2318 Q A -1.2573
2319 V A 0.7562
2320 L A 1.6907
2321 A A 0.3533
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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, -0.2344 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_10 -0.2344 View CSV PDB
model_11 -0.2378 View CSV PDB
model_8 -0.2396 View CSV PDB
model_9 -0.2428 View CSV PDB
model_4 -0.2449 View CSV PDB
model_1 -0.2469 View CSV PDB
model_3 -0.247 View CSV PDB
CABS_average -0.2475 View CSV PDB
model_6 -0.2507 View CSV PDB
model_5 -0.2522 View CSV PDB
model_2 -0.2546 View CSV PDB
model_0 -0.2585 View CSV PDB
model_7 -0.2601 View CSV PDB
input -0.2775 View CSV PDB