Project name: P572L_5_4D

Status: done

Started: 2026-05-21 00:19:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACALGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:30:37)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (20:12:04)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (20:13:07)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (20:14:10)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (20:15:13)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (20:16:17)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (20:17:18)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (20:18:17)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (20:19:21)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (20:20:21)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (20:21:25)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (20:22:26)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (20:23:29)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (20:24:28)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (20:26:31)
[INFO]       Main:     Simulation completed successfully.                                          (20:27:34)
Show buried residues

Minimal score value
-2.494
Maximal score value
2.2548
Average score
-0.2117
Total score value
-491.3558

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 0.9637
2 G A -0.2895
3 P A -0.3109
4 G A -0.4890
5 A A -0.4223
6 R A -1.8767
7 G A -0.6359
8 R A -0.6530
9 R A -0.9937
10 R A 0.0000
11 R A -1.9407
12 R A -0.8547
13 R A 0.0000
14 P A 0.1466
15 M A 0.1989
16 S A 0.0000
17 P A 0.0000
18 P A -0.2545
19 P A -0.1245
20 P A -0.2981
21 P A -0.2608
22 P A -0.3210
23 P A 0.0788
24 V A 1.4057
25 R A -1.4320
26 A A 0.0315
27 L A 0.0000
28 P A -0.1720
29 L A 0.6834
30 L A 1.6943
31 L A 0.8830
32 L A 1.7031
33 L A 1.8086
34 A A 0.2503
35 G A -0.3508
36 P A -0.1719
37 G A -0.3221
38 A A -0.1451
39 A A 0.0711
40 A A 0.0324
41 P A -0.1498
42 P A -0.2317
43 C A 0.3901
44 L A 0.7091
45 D A -1.6968
46 G A -0.5882
47 S A -0.1374
48 P A -0.2340
49 C A 0.1124
50 A A 0.0377
51 N A -0.3285
52 G A -0.5467
53 G A -0.3257
54 R A -0.5904
55 C A 0.0000
56 T A -0.1115
57 Q A -0.4888
58 L A 0.0000
59 P A 0.0000
60 S A -0.5545
61 R A -2.2272
62 E A -2.1677
63 A A -0.5143
64 A A 0.0118
65 C A 0.0000
66 L A 0.5472
67 C A 0.1327
68 P A -0.2867
69 P A -0.3885
70 G A -0.5135
71 W A 0.0000
72 V A 0.2526
73 G A -0.6367
74 E A -2.2085
75 R A -2.1937
76 C A -0.2468
77 Q A 0.0000
78 L A -0.0416
79 E A -1.4008
80 D A -0.6680
81 P A -0.2867
82 C A 0.0243
83 H A -0.6919
84 S A -0.3620
85 G A -0.2710
86 P A -0.2756
87 C A 0.0000
88 A A -0.1481
89 G A -0.8227
90 R A -2.0237
91 G A -0.6936
92 V A 0.5570
93 C A 0.0485
94 Q A -1.1751
95 S A 0.0000
96 S A -0.1270
97 V A 0.8485
98 V A 1.5898
99 A A 0.2481
100 G A -0.4688
101 T A -0.1598
102 A A 0.0000
103 R A -1.6002
104 F A 0.9313
105 S A 0.1664
106 C A -0.1331
107 R A -1.6744
108 C A -0.2025
109 P A -0.4547
110 R A -1.9573
111 G A -0.6378
112 F A 0.7236
113 R A -0.2956
114 G A -0.2728
115 P A -0.5561
116 D A -1.8355
117 C A 0.0000
118 S A -0.1349
119 L A 0.5908
120 P A -0.1587
121 D A -0.6038
122 P A -0.2150
123 C A 0.9018
124 L A 1.2585
125 S A 0.0025
126 S A -0.1144
127 P A -0.0129
128 C A 0.6683
129 A A -0.0412
130 H A -1.0477
131 G A -0.5004
132 A A -0.1817
133 R A -0.7747
134 C A 0.4244
135 S A 0.1482
136 V A 0.4791
137 G A -0.0044
138 P A -0.4903
139 D A -1.9060
140 G A -1.1604
141 R A -1.8051
142 F A 0.3585
143 L A 0.0000
144 C A 0.0000
145 S A 0.0000
146 C A 0.0000
147 P A -0.2236
148 P A -0.0854
149 G A -0.0009
150 Y A 0.3074
151 Q A -0.9193
152 G A -1.0020
153 R A -1.9949
154 S A -0.4537
155 C A 0.2044
156 R A -0.9303
157 S A 0.0000
158 D A -1.5802
159 V A 0.1006
160 D A -0.6944
161 E A -0.3508
162 C A 0.0000
163 R A -1.7768
164 V A -0.0978
165 G A -0.7524
166 E A -1.9104
167 P A 0.0000
168 C A 0.0000
169 R A -2.0245
170 H A -1.4011
171 G A -0.6657
172 G A -0.1817
173 T A -0.0121
174 C A 0.3879
175 L A 0.3146
176 N A -0.8280
177 T A -0.1811
178 P A -0.3445
179 G A -0.5142
180 S A 0.0000
181 F A 0.4105
182 R A -0.7250
183 C A 0.0000
184 Q A -1.1082
185 C A 0.0000
186 P A -0.2440
187 A A -0.0793
188 G A -0.2089
189 Y A 1.2259
190 T A 0.2245
191 G A -0.1579
192 P A -0.2931
193 L A 0.4412
194 C A 0.3440
195 E A -1.8140
196 N A -0.9687
197 P A -0.3573
198 A A 0.2050
199 V A 1.0922
200 P A 0.0738
201 C A 0.1721
202 A A -0.0226
203 P A -0.2500
204 S A -0.1020
205 P A -0.2590
206 C A 0.0000
207 R A -1.0991
208 N A -0.7375
209 G A -0.6316
210 G A -0.6005
211 T A -0.0315
212 C A 0.0149
213 R A -1.9056
214 Q A -0.9412
215 S A -0.3059
216 G A -0.8296
217 D A -1.5850
218 L A 1.1958
219 T A 0.3390
220 Y A 0.5172
221 D A -0.9715
222 C A 0.0529
223 A A 0.1221
224 C A 0.4672
225 L A 1.5072
226 P A 0.0932
227 G A -0.3870
228 F A 0.5343
229 E A -0.1164
230 G A -0.3164
231 Q A -0.4619
232 N A -1.2804
233 C A -0.2140
234 E A -0.5518
235 V A 0.0000
236 N A -0.0020
237 V A 0.5568
238 D A -0.6092
239 D A -1.7422
240 C A -0.2351
241 P A -0.2893
242 G A -0.6775
243 H A -1.4547
244 R A -1.9993
245 C A 0.1574
246 L A 1.4934
247 N A -0.2643
248 G A -0.4271
249 G A -0.1932
250 T A 0.0000
251 C A 0.1307
252 V A 0.1955
253 D A 0.0000
254 G A 0.1391
255 V A 1.7022
256 N A 0.1640
257 T A -0.0782
258 Y A 0.0000
259 N A -0.9410
260 C A 0.0000
261 Q A -0.2966
262 C A 0.0000
263 P A -0.2927
264 P A -0.4328
265 E A -0.8780
266 W A -0.1210
267 T A -0.0144
268 G A -0.2536
269 Q A -0.2691
270 F A 1.8323
271 C A 0.3490
272 T A -0.2374
273 E A -1.4411
274 D A -1.6660
275 V A 0.0128
276 D A -0.3714
277 E A -0.4385
278 C A 0.0000
279 Q A -0.9485
280 L A 1.2494
281 Q A -0.2562
282 P A -0.4412
283 N A -0.6307
284 A A -0.0667
285 C A 0.0000
286 H A -1.2229
287 N A -1.3920
288 G A -0.7288
289 G A -0.6363
290 T A 0.0000
291 C A 0.0000
292 F A 0.2479
293 N A 0.0000
294 T A 0.2296
295 L A 1.5361
296 G A 0.0000
297 G A -0.3437
298 H A -1.0399
299 S A -0.1830
300 C A 0.6315
301 V A 0.4321
302 C A 0.1831
303 V A 0.1911
304 N A -0.4478
305 G A -0.3137
306 W A 1.0912
307 T A 0.1526
308 G A -0.5221
309 E A -1.8737
310 S A -0.5119
311 C A 0.0521
312 S A 0.0000
313 Q A -0.3260
314 N A -0.0995
315 I A 1.8444
316 D A -0.1908
317 D A -0.2730
318 C A 0.1141
319 A A 0.0407
320 T A -0.0081
321 A A 0.0000
322 V A 0.4476
323 C A 0.2360
324 F A 0.0983
325 H A -0.9884
326 G A -0.4296
327 A A 0.0000
328 T A 0.0000
329 C A 0.0000
330 H A -0.1015
331 D A 0.0000
332 R A -1.3121
333 V A 1.4247
334 A A 0.3283
335 S A 0.0147
336 F A 0.7920
337 Y A 1.4233
338 C A 0.0000
339 A A 0.0114
340 C A 0.0000
341 P A -0.0277
342 M A 0.0000
343 G A -0.1142
344 K A -0.3926
345 T A 0.0000
346 G A -0.3370
347 L A 0.1995
348 L A 0.0000
349 C A 0.0000
350 H A 0.0000
351 L A 0.0000
352 D A -0.7642
353 D A -0.6183
354 A A -0.0673
355 C A 0.0000
356 V A 0.2539
357 S A -0.3914
358 N A -1.3605
359 P A -0.4779
360 C A -0.1319
361 H A -0.9453
362 E A -0.9141
363 D A -1.8647
364 A A -0.3660
365 I A 0.0000
366 C A 0.0000
367 D A -0.2092
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A 0.0000
373 G A -0.5891
374 R A -0.7425
375 A A -0.1126
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A 0.0000
381 P A -0.1275
382 G A 0.0000
383 F A 0.0000
384 T A -0.0156
385 G A -0.0109
386 G A -0.0589
387 A A 0.1016
388 C A 0.3630
389 D A -0.4134
390 Q A -0.5145
391 D A -0.8500
392 V A 0.0000
393 D A -0.4483
394 E A -0.2780
395 C A 0.0000
396 S A 0.0000
397 I A 0.3127
398 G A -0.3751
399 A A -0.0127
400 N A -0.2626
401 P A -0.2995
402 C A 0.0000
403 E A -1.0319
404 H A -0.4529
405 L A 0.8089
406 G A -0.3786
407 R A -0.6351
408 C A 0.0000
409 V A 0.0000
410 N A 0.0000
411 T A -0.2625
412 Q A -0.2525
413 G A 0.0000
414 S A -0.0495
415 F A 0.0000
416 L A 1.1263
417 C A 0.0000
418 Q A -1.1983
419 C A 0.0000
420 G A -0.5087
421 R A -0.3829
422 G A -0.0702
423 Y A 0.6269
424 T A 0.0866
425 G A -0.0906
426 P A -0.5269
427 R A -1.4378
428 C A -0.4491
429 E A -1.8010
430 T A -0.5828
431 D A -1.2120
432 V A -0.1409
433 N A -0.9482
434 E A -0.7936
435 C A 0.2906
436 L A 0.9465
437 S A -0.0483
438 G A -0.0507
439 P A -0.2362
440 C A -0.2636
441 R A -1.9641
442 N A -1.3452
443 Q A -1.3437
444 A A -0.2231
445 T A -0.0543
446 C A 0.0566
447 L A 0.0000
448 D A 0.0000
449 R A 0.0000
450 I A 0.1613
451 G A -0.4104
452 Q A -0.5577
453 F A 0.9917
454 T A 0.1994
455 C A 0.0000
456 I A 1.0846
457 C A 0.3362
458 M A 0.5906
459 A A 0.1975
460 G A -0.0026
461 F A 0.6195
462 T A -0.2407
463 G A -0.4601
464 T A 0.1651
465 Y A 1.3538
466 C A 0.1314
467 E A -1.4435
468 V A 1.3407
469 D A 0.1821
470 I A 1.5971
471 D A -1.2029
472 E A -0.7297
473 C A 0.1557
474 Q A -1.1474
475 S A -0.4719
476 S A -0.2678
477 P A -0.1478
478 C A 0.7426
479 V A 0.2205
480 N A -1.2336
481 G A -0.4283
482 G A -0.3362
483 V A 0.7030
484 C A -0.0716
485 K A -1.7672
486 D A -0.8119
487 R A -1.7803
488 V A 0.3593
489 N A 0.0473
490 G A -0.0659
491 F A 1.8682
492 S A 0.1121
493 C A 0.2435
494 T A 0.0000
495 C A 0.0000
496 P A -0.2918
497 S A -0.2009
498 G A -0.4787
499 F A 0.0000
500 S A 0.0000
501 G A -0.1362
502 S A -0.2689
503 T A -0.0380
504 C A 0.1105
505 Q A -0.9941
506 L A 0.4006
507 D A -0.9362
508 V A 0.5343
509 D A -1.6128
510 E A -0.4898
511 C A 0.0000
512 A A 0.0064
513 S A -0.2069
514 T A -0.0880
515 P A -0.1317
516 C A -0.1603
517 R A -1.7979
518 N A -1.6681
519 G A -0.7061
520 A A -0.3626
521 K A -1.6326
522 C A 0.1138
523 V A 0.4359
524 D A -0.7395
525 Q A -1.3761
526 P A -0.8219
527 D A -1.8583
528 G A -0.3220
529 Y A 1.0197
530 E A -1.1146
531 C A -0.3772
532 R A -1.7518
533 C A -0.0602
534 A A -0.2304
535 E A -1.8988
536 G A -0.6347
537 F A 1.5399
538 E A -0.6472
539 G A -0.5569
540 T A -0.0103
541 L A 1.6806
542 C A 0.6942
543 D A -2.0063
544 R A -2.4221
545 N A -1.4088
546 V A -0.1575
547 D A -1.9340
548 D A -1.5155
549 C A 0.0000
550 S A -0.2317
551 P A -0.4708
552 D A -1.8554
553 P A -0.5788
554 C A -0.2378
555 H A -1.1035
556 H A -0.9478
557 G A -0.9416
558 R A -1.8227
559 C A 0.4003
560 V A 0.7412
561 D A -1.6547
562 G A -0.4226
563 I A 1.9277
564 A A 0.4160
565 S A -0.1366
566 F A 0.1072
567 S A 0.1154
568 C A 0.0000
569 A A -0.1077
570 C A 0.0000
571 A A 0.0262
572 L A 0.1412
573 G A -0.0965
574 Y A 1.0785
575 T A 0.1415
576 G A -0.4618
577 T A -0.3722
578 R A -1.3963
579 C A 0.0000
580 E A -0.7797
581 S A -0.5395
582 Q A -0.7936
583 V A 1.2820
584 D A -0.4984
585 E A 0.0000
586 C A 0.0000
587 R A -1.8837
588 S A -0.6358
589 Q A -0.5147
590 P A -0.3173
591 C A -0.2032
592 R A -1.1522
593 H A -1.2906
594 G A -0.6885
595 G A -0.7229
596 K A -1.7120
597 C A -0.0014
598 L A 0.7013
599 D A -1.3198
600 L A 1.3665
601 V A 1.9280
602 D A -0.6851
603 K A -1.2606
604 Y A 0.4815
605 L A 1.0628
606 C A 0.0851
607 R A -1.7698
608 C A -0.2511
609 P A -0.0832
610 S A -0.3118
611 G A -0.5084
612 T A -0.1491
613 T A -0.1209
614 G A -0.1386
615 V A 1.5051
616 N A -0.6221
617 C A 0.0000
618 E A -0.5526
619 V A 0.0447
620 N A -0.1235
621 I A 0.5760
622 D A -1.7415
623 D A -0.9846
624 C A 0.5533
625 A A 0.1062
626 S A -0.4506
627 N A -1.3391
628 P A -0.3517
629 C A 0.0927
630 T A 0.3182
631 F A 1.8684
632 G A 0.4140
633 V A 1.7521
634 C A 0.2192
635 R A -1.8998
636 D A -0.8913
637 G A -0.0576
638 I A 1.7278
639 N A -1.2127
640 R A -1.6875
641 Y A 0.5888
642 D A 0.0000
643 C A 0.3559
644 V A 1.1884
645 C A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
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1980 A A 0.0000
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1983 G A -0.3143
1984 S A 0.0000
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1986 E A -0.5890
1987 A A 0.0000
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1991 L A 0.0000
1992 L A -0.1638
1993 D A -1.9346
1994 H A -1.0848
1995 F A 1.0786
1996 A A 0.0000
1997 N A -0.1142
1998 R A 0.0000
1999 E A 0.0000
2000 I A 0.0000
2001 T A -0.4752
2002 D A -1.9486
2003 H A -1.0327
2004 L A 0.5035
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2006 R A -0.3973
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2008 P A 0.0000
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2010 D A -0.9489
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -1.4908
2014 E A -2.0139
2015 R A -1.1756
2016 L A 1.2832
2017 H A -0.1625
2018 Q A -1.4831
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2270 T A -0.2863
2271 P A -0.2789
2272 S A -0.2076
2273 P A -0.2765
2274 A A -0.0502
2275 T A -0.0668
2276 A A -0.0466
2277 T A -0.1570
2278 G A -0.4688
2279 A A -0.0280
2280 M A 0.0000
2281 A A 0.0585
2282 T A 0.0000
2283 T A -0.0858
2284 T A -0.1439
2285 G A -0.4722
2286 A A 0.2083
2287 L A 1.5442
2288 P A 0.1781
2289 A A 0.0000
2290 Q A -0.2555
2291 P A 0.0966
2292 L A 0.8397
2293 P A 0.4321
2294 L A 1.6857
2295 S A 0.5282
2296 V A 1.7367
2297 P A 0.1952
2298 S A -0.2536
2299 S A -0.0306
2300 L A 0.5932
2301 A A -0.0698
2302 Q A -1.1757
2303 A A -0.1759
2304 Q A 0.0000
2305 T A -0.0936
2306 Q A 0.1085
2307 L A 1.6445
2308 G A 0.1074
2309 P A -0.2723
2310 Q A -1.0653
2311 P A -0.5562
2312 E A -0.2942
2313 V A 1.6522
2314 T A 0.2462
2315 P A -0.3817
2316 K A -2.0491
2317 R A -2.3051
2318 Q A -0.9727
2319 V A 0.9936
2320 L A 1.7188
2321 A A 0.3524
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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, -0.2117 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 -0.2117 View CSV PDB
model_2 -0.2125 View CSV PDB
model_1 -0.214 View CSV PDB
model_8 -0.2195 View CSV PDB
model_0 -0.2207 View CSV PDB
model_5 -0.2209 View CSV PDB
model_9 -0.2227 View CSV PDB
CABS_average -0.2267 View CSV PDB
model_7 -0.2268 View CSV PDB
model_6 -0.2347 View CSV PDB
model_4 -0.2364 View CSV PDB
model_3 -0.2455 View CSV PDB
model_11 -0.2553 View CSV PDB
input -0.2763 View CSV PDB