Project name: R332C_4D

Status: done

Started: 2026-05-08 01:44:19
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDCVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:31:56)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:51:03)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:51:48)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:52:34)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:53:20)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:54:06)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:54:52)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:55:40)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:56:26)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:57:11)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:57:57)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:58:43)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:59:29)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (13:00:15)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (13:02:31)
Show buried residues

Minimal score value
-4.8501
Maximal score value
6.115
Average score
-0.547
Total score value
-1269.636

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 -0.4660
2 G A -0.8049
3 P A -0.9082
4 G A -1.0767
5 A A -1.3368
6 R A -2.5437
7 G A -2.2455
8 R A -2.4396
9 R A -2.8361
10 R A -2.2410
11 R A -2.1609
12 R A -3.1218
13 R A -2.3644
14 P A -1.1642
15 M A -0.6539
16 S A -0.7277
17 P A -0.7706
18 P A 0.0000
19 P A -0.3552
20 P A 0.0000
21 P A -0.0393
22 P A -0.0624
23 P A 0.1305
24 V A 0.7078
25 R A -0.5918
26 A A 0.5503
27 L A 1.5935
28 P A 0.8796
29 L A 1.5541
30 L A 0.9499
31 L A 0.0000
32 L A 0.5592
33 L A 0.8955
34 A A 0.0953
35 G A -0.7113
36 P A -1.1443
37 G A -1.6326
38 A A -1.6184
39 A A 0.0000
40 A A -1.5769
41 P A 0.0000
42 P A -1.2407
43 C A -1.0223
44 L A -0.3631
45 D A -1.3384
46 G A -1.0052
47 S A -0.8315
48 P A -0.6173
49 C A -1.3526
50 A A -1.1331
51 N A -1.5460
52 G A -1.1981
53 G A 0.0000
54 R A -2.0891
55 C A 0.0000
56 T A 0.0000
57 Q A -1.4600
58 L A -0.8510
59 P A -0.9194
60 S A -1.2042
61 R A -1.8629
62 E A -2.0919
63 A A 0.0000
64 A A 0.0000
65 C A 0.0000
66 L A -1.5045
67 C A -1.0668
68 P A -1.3550
69 P A -1.1479
70 G A -1.6617
71 W A -1.6453
72 V A 0.0000
73 G A 0.0000
74 E A -1.6454
75 R A -2.1655
76 C A 0.0000
77 Q A -1.9631
78 L A 0.0000
79 E A -3.0062
80 D A -2.7904
81 P A -1.2811
82 C A -0.1262
83 H A 0.2536
84 S A -0.1430
85 G A -0.3512
86 P A -0.7489
87 C A -0.6502
88 A A -0.5040
89 G A -1.2525
90 R A -2.2120
91 G A -1.7306
92 V A -1.2924
93 C A 0.0000
94 Q A -1.2326
95 S A -0.6591
96 S A -0.1135
97 V A 0.0000
98 V A 0.0000
99 A A -0.4945
100 G A -1.0701
101 T A -0.3342
102 A A -0.4264
103 R A 0.0000
104 F A 0.2814
105 S A 0.0000
106 C A 0.0000
107 R A -1.4967
108 C A 0.0000
109 P A -1.2334
110 R A -1.6266
111 G A -0.1831
112 F A 0.4010
113 R A -0.8958
114 G A 0.0000
115 P A -0.8307
116 D A -0.8230
117 C A 0.0000
118 S A -0.3171
119 L A -0.1101
120 P A 0.0990
121 D A -0.6545
122 P A -0.5661
123 C A -0.2891
124 L A 0.3371
125 S A 0.5358
126 S A -0.0179
127 P A -0.6047
128 C A -0.8165
129 A A -0.9822
130 H A -1.3521
131 G A -1.0747
132 A A -1.0908
133 R A -1.5313
134 C A 0.3803
135 S A 0.6275
136 V A 1.5249
137 G A -0.1829
138 P A -1.0005
139 D A -1.8621
140 G A -1.3381
141 R A -1.4182
142 F A 0.8224
143 L A 0.6248
144 C A 0.0000
145 S A -0.5281
146 C A -0.6365
147 P A -0.5626
148 P A -0.5241
149 G A -0.3661
150 Y A 0.0624
151 Q A -1.3685
152 G A -1.4305
153 R A -1.2759
154 S A -0.8647
155 C A -0.9372
156 R A -2.1964
157 S A 0.0000
158 D A 0.0000
159 V A -0.2348
160 D A -0.7785
161 E A -1.3061
162 C A 0.0000
163 R A -1.6311
164 V A 0.0571
165 G A -1.1226
166 E A -2.1732
167 P A -1.9317
168 C A -2.0170
169 R A -2.6927
170 H A -2.2317
171 G A -1.5178
172 G A -1.2305
173 T A -1.1790
174 C A -0.9814
175 L A 0.1227
176 N A 0.0000
177 T A -0.2096
178 P A -0.7010
179 G A -0.8517
180 S A -0.6683
181 F A -0.7677
182 R A -1.2010
183 C A -0.8869
184 Q A -0.8618
185 C A -1.2899
186 P A -0.4636
187 A A 0.2094
188 G A 0.0064
189 Y A -0.8487
190 T A 0.0000
191 G A -0.7771
192 P A -0.5118
193 L A -0.4936
194 C A 0.0000
195 E A -2.5389
196 N A -1.4605
197 P A -0.7714
198 A A 0.0289
199 V A 1.2211
200 P A 0.5076
201 C A 0.9526
202 A A 0.7823
203 P A 0.0946
204 S A -0.6663
205 P A -0.6848
206 C A -0.9811
207 R A -2.1862
208 N A -2.3815
209 G A -1.0145
210 G A -1.0151
211 T A -1.0176
212 C A -1.3132
213 R A -2.5270
214 Q A -2.1354
215 S A -1.3559
216 G A -0.9233
217 D A -0.5792
218 L A 0.7086
219 T A 0.1388
220 Y A -0.0601
221 D A -1.2110
222 C A -0.3920
223 A A -0.0630
224 C A 0.0000
225 L A 1.2136
226 P A 0.0188
227 G A 0.6007
228 F A 1.9368
229 E A 0.1583
230 G A -0.5784
231 Q A -0.8515
232 N A -0.6833
233 C A 0.3638
234 E A 0.0000
235 V A 0.8872
236 N A 0.0000
237 V A -0.5722
238 D A -1.9514
239 D A -1.9492
240 C A -0.8507
241 P A 0.0000
242 G A -1.3285
243 H A -1.7546
244 R A -2.0382
245 C A 0.0000
246 L A -0.0966
247 N A -0.8406
248 G A -0.6761
249 G A -0.8151
250 T A 0.0000
251 C A 0.0000
252 V A -0.9544
253 D A 0.0000
254 G A -0.0678
255 V A 0.7144
256 N A -1.5156
257 T A -0.7425
258 Y A -0.8703
259 N A -1.4921
260 C A 0.0000
261 Q A -1.5504
262 C A -1.2626
263 P A -1.0201
264 P A -1.0450
265 E A -2.3843
266 W A -1.5602
267 T A -1.2937
268 G A -1.4326
269 Q A -1.2729
270 F A 0.4254
271 C A 0.0000
272 T A -1.7766
273 E A -2.5048
274 D A -2.7239
275 V A -0.8218
276 D A -2.2844
277 E A -2.2639
278 C A -1.0553
279 Q A -0.7345
280 L A 0.8305
281 Q A 0.3992
282 P A -0.1846
283 N A -0.0585
284 A A -0.1786
285 C A 0.4718
286 H A -0.1623
287 N A -0.4001
288 G A -0.0986
289 G A 0.9152
290 T A 1.2743
291 C A 0.0000
292 F A 1.8185
293 N A -0.1313
294 T A -0.0097
295 L A 0.9365
296 G A -0.6310
297 G A -0.7205
298 H A -0.8973
299 S A 0.5735
300 C A 1.4689
301 V A 2.3700
302 C A 1.3314
303 V A 1.9389
304 N A 0.1947
305 G A 0.0157
306 W A 0.6651
307 T A -0.4711
308 G A -1.1596
309 E A -2.0039
310 S A -1.0304
311 C A -0.3362
312 S A -0.6867
313 Q A -0.7959
314 N A -1.6576
315 I A -0.9402
316 D A -1.9203
317 D A -2.0188
318 C A -0.1388
319 A A 0.5861
320 T A 0.1286
321 A A 1.1429
322 V A 2.2704
323 C A 1.8583
324 F A 1.3500
325 H A -0.4376
326 G A -0.5943
327 A A -0.2388
328 T A -0.0842
329 C A 0.0286
330 H A -0.5613
331 D A -0.6869
332 C A 0.4680
333 V A 1.1833
334 A A 0.1003
335 S A 0.0000
336 F A 0.0000
337 Y A 1.0940
338 C A 1.1569
339 A A 0.4994
340 C A 0.4097
341 P A 0.2855
342 M A 1.0815
343 G A 0.3836
344 K A -0.5396
345 T A -0.1347
346 G A 0.5438
347 L A 1.4879
348 L A 1.1762
349 C A 0.0000
350 H A 0.6094
351 L A 0.2950
352 D A -0.5074
353 D A -0.5892
354 A A -0.4076
355 C A 0.1877
356 V A 0.9564
357 S A 0.0072
358 N A -0.5311
359 P A -0.2918
360 C A -0.5092
361 H A -1.4995
362 E A -1.7116
363 D A -1.7879
364 A A 0.0000
365 I A 1.2758
366 C A 0.0000
367 D A -0.0315
368 T A 0.0000
369 N A -0.6965
370 P A -0.2587
371 V A 0.5610
372 N A -0.5270
373 G A -0.7950
374 R A 0.0000
375 A A -0.2071
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.2437
381 P A -0.7230
382 G A 0.0000
383 F A 0.0000
384 T A -1.1819
385 G A 0.0000
386 G A 0.0000
387 A A -0.4604
388 C A 0.0000
389 D A -1.2934
390 Q A 0.0000
391 D A -1.9664
392 V A -1.9694
393 D A -2.7116
394 E A -2.8487
395 C A -1.3906
396 S A -1.4236
397 I A -1.3059
398 G A -1.3108
399 A A -1.4446
400 N A -1.7946
401 P A -1.2155
402 C A -1.3513
403 E A -2.5346
404 H A -2.0605
405 L A -1.1633
406 G A -1.1017
407 R A -1.0471
408 C A -0.9324
409 V A -0.2865
410 N A 0.0000
411 T A 0.0000
412 Q A -1.0466
413 G A -0.9001
414 S A -0.1939
415 F A 0.0126
416 L A -0.1511
417 C A 0.0000
418 Q A -1.6647
419 C A -0.9167
420 G A -0.2991
421 R A -0.5255
422 G A -0.0782
423 Y A 0.6934
424 T A 0.0000
425 G A 0.0000
426 P A 0.0000
427 R A -2.1760
428 C A 0.0000
429 E A -0.7286
430 T A -0.0213
431 D A 0.0000
432 V A -0.6056
433 N A -0.9701
434 E A -1.2312
435 C A -0.8656
436 L A -1.1757
437 S A -0.8043
438 G A -0.8341
439 P A -1.3455
440 C A -1.8193
441 R A -2.2830
442 N A -2.3811
443 Q A -1.6118
444 A A 0.0000
445 T A 0.5793
446 C A 0.8484
447 L A 0.6044
448 D A -1.3420
449 R A -2.2748
450 I A -0.9436
451 G A -1.5973
452 Q A -1.7784
453 F A 0.0000
454 T A 0.1315
455 C A 0.0000
456 I A 2.6876
457 C A 1.5326
458 M A 1.3562
459 A A 0.4192
460 G A -0.1960
461 F A 1.6084
462 T A 0.4566
463 G A 0.4061
464 T A 0.0991
465 Y A 0.4081
466 C A 0.0000
467 E A -1.8031
468 V A 0.0000
469 D A -1.4018
470 I A 0.0000
471 D A -2.1937
472 E A -1.6807
473 C A -1.5445
474 Q A -2.0460
475 S A -1.3852
476 S A -0.4185
477 P A 0.0169
478 C A 0.7088
479 V A 1.4636
480 N A -0.2567
481 G A -0.4306
482 G A 0.4943
483 V A 1.4244
484 C A 0.0472
485 K A -1.9034
486 D A -2.4673
487 R A -2.6218
488 V A -1.1332
489 N A -0.9884
490 G A -0.9913
491 F A -0.7413
492 S A -0.2116
493 C A 0.8933
494 T A 0.8062
495 C A 0.5995
496 P A 0.0558
497 S A -0.3081
498 G A -0.6127
499 F A 0.5892
500 S A -0.1555
501 G A 0.0333
502 S A 0.0000
503 T A 0.3499
504 C A 0.3435
505 Q A -0.5445
506 L A 0.3360
507 D A -1.3196
508 V A -1.1560
509 D A -2.4976
510 E A -2.4470
511 C A -0.4154
512 A A -0.2527
513 S A -0.4777
514 T A -0.3011
515 P A -0.8461
516 C A -1.9648
517 R A -2.8525
518 N A -2.2745
519 G A -2.2051
520 A A -2.0100
521 K A -1.9505
522 C A -0.4571
523 V A -0.2357
524 D A -1.7708
525 Q A -2.2487
526 P A -2.2572
527 D A -3.0494
528 G A -2.1196
529 Y A -1.4219
530 E A -1.3147
531 C A 0.0000
532 R A -1.9842
533 C A 0.0000
534 A A -1.1235
535 E A -1.1458
536 G A -0.3993
537 F A 0.3758
538 E A -0.5537
539 G A -0.9835
540 T A -0.9207
541 L A -0.7925
542 C A -0.7118
543 D A -1.9029
544 R A -2.2936
545 N A -0.8916
546 V A -0.1196
547 D A -0.5784
548 D A -1.5370
549 C A -1.3901
550 S A -1.5766
551 P A -1.8079
552 D A -2.4594
553 P A -2.0353
554 C A -2.2800
555 H A -1.9367
556 H A -2.2019
557 G A -1.9327
558 R A -2.2421
559 C A -1.3073
560 V A -0.0758
561 D A -0.8054
562 G A 0.3149
563 I A 1.6521
564 A A 0.8177
565 S A 0.3047
566 F A -0.2694
567 S A -0.9902
568 C A 0.0000
569 A A -0.9391
570 C A 0.0000
571 A A -0.5503
572 P A -0.4471
573 G A -0.4911
574 Y A -0.2233
575 T A -1.1838
576 G A -1.5479
577 T A -1.4171
578 R A -2.5267
579 C A 0.0000
580 E A -3.0597
581 S A -1.6531
582 Q A -0.8403
583 V A -0.0025
584 D A -1.3127
585 E A -2.1838
586 C A -1.1809
587 R A -2.6823
588 S A -1.7042
589 Q A -2.0704
590 P A -1.8176
591 C A 0.0000
592 R A -2.5399
593 H A -1.8311
594 G A -1.9088
595 G A -1.9722
596 K A -2.2797
597 C A -0.6305
598 L A 0.5465
599 D A -0.4253
600 L A 1.4941
601 V A 1.3058
602 D A -0.8511
603 K A -0.6911
604 Y A 0.1753
605 L A 1.2391
606 C A -0.4481
607 R A -1.6854
608 C A 0.0000
609 P A -0.6618
610 S A -0.2418
611 G A -0.3631
612 T A -0.4762
613 T A 0.0000
614 G A -0.6493
615 V A 0.1993
616 N A -0.9389
617 C A -1.5895
618 E A -2.3841
619 V A 0.0000
620 N A -0.3222
621 I A 1.1193
622 D A -0.7220
623 D A -1.5257
624 C A -1.1842
625 A A -0.7228
626 S A -1.0590
627 N A -1.4100
628 P A -0.7445
629 C A -0.2136
630 T A 0.2667
631 F A 0.4160
632 G A -0.0750
633 V A -0.0331
634 C A -0.5902
635 R A -1.7766
636 D A 0.0000
637 G A 0.0000
638 I A 0.3725
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2263 L A -0.3474
2264 S A -0.2592
2265 D A 0.0000
2266 W A 0.4225
2267 S A 0.0000
2268 E A 0.0000
2269 S A -0.1162
2270 T A -0.1482
2271 P A -0.2527
2272 S A -0.8198
2273 P A -0.7844
2274 A A -1.0822
2275 T A -1.0230
2276 A A -0.8838
2277 T A -0.2181
2278 G A -0.1381
2279 A A 0.6135
2280 M A 0.9452
2281 A A 0.4915
2282 T A 0.1109
2283 T A 0.0000
2284 T A -0.3177
2285 G A 0.2985
2286 A A 0.7787
2287 L A 1.5275
2288 P A 0.0000
2289 A A 0.3221
2290 Q A 0.0008
2291 P A -0.2430
2292 L A 0.3839
2293 P A 0.8538
2294 L A 1.8182
2295 S A 0.0000
2296 V A 0.0000
2297 P A -0.7615
2298 S A -0.0898
2299 S A 0.4708
2300 L A 1.3670
2301 A A 0.3103
2302 Q A -0.7997
2303 A A -0.6363
2304 Q A -0.7308
2305 T A -0.1881
2306 Q A 0.0000
2307 L A 0.6748
2308 G A 0.0000
2309 P A -0.8981
2310 Q A -1.7266
2311 P A -1.7546
2312 E A -2.3752
2313 V A -0.6860
2314 T A -0.3011
2315 P A -1.5483
2316 K A -2.1709
2317 R A -2.3335
2318 Q A -0.8084
2319 V A 1.1637
2320 L A 0.6032
2321 A A 0.6501
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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, -0.547 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_1 -0.547 View CSV PDB
model_0 -0.5558 View CSV PDB
model_8 -0.5749 View CSV PDB
model_3 -0.5806 View CSV PDB
model_9 -0.5959 View CSV PDB
CABS_average -0.597 View CSV PDB
model_4 -0.6006 View CSV PDB
model_10 -0.6021 View CSV PDB
model_5 -0.6054 View CSV PDB
model_11 -0.6065 View CSV PDB
model_2 -0.6075 View CSV PDB
model_6 -0.6234 View CSV PDB
model_7 -0.6641 View CSV PDB
input -0.7562 View CSV PDB