Project name: R1220G_5_4D

Status: done

Started: 2026-05-22 01:17:43
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:36)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (15:11:06)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (15:12:12)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (15:13:20)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (15:14:31)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (15:15:41)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (15:16:55)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (15:18:09)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (15:19:25)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (15:20:44)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (15:22:03)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (15:23:23)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (15:24:41)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (15:25:56)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (15:28:29)
[INFO]       Main:     Simulation completed successfully.                                          (15:29:48)
Show buried residues

Minimal score value
-2.5497
Maximal score value
2.496
Average score
-0.2365
Total score value
-548.8342

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 0.9906
2 G A -0.1663
3 P A -0.2498
4 G A -0.0910
5 A A -0.4178
6 R A -1.8012
7 G A -1.1445
8 R A -2.2827
9 R A -2.5497
10 R A -2.4238
11 R A -1.8769
12 R A -2.3773
13 R A -2.0061
14 P A -0.3737
15 M A 0.9642
16 S A -0.0888
17 P A -0.3924
18 P A -0.4126
19 P A -0.3596
20 P A -0.2744
21 P A -0.0210
22 P A -0.3208
23 P A -0.0694
24 V A 0.9039
25 R A -1.5893
26 A A -0.0798
27 L A 1.3190
28 P A 0.5005
29 L A 1.3687
30 L A 1.9909
31 L A 2.1098
32 L A 2.2054
33 L A 1.8466
34 A A 0.2651
35 G A -0.5034
36 P A -0.4308
37 G A -0.5062
38 A A -0.0358
39 A A 0.0772
40 A A 0.0554
41 P A -0.0864
42 P A -0.1965
43 C A 0.0000
44 L A 0.5187
45 D A -1.7090
46 G A -0.8285
47 S A -0.2445
48 P A -0.1720
49 C A 0.4713
50 A A -0.1451
51 N A -1.3203
52 G A -0.5600
53 G A -0.6020
54 R A -1.8109
55 C A 0.0614
56 T A -0.1488
57 Q A -0.8943
58 L A 0.4610
59 P A -0.2260
60 S A -0.4145
61 R A -1.1324
62 E A -1.9387
63 A A 0.0000
64 A A 0.0201
65 C A 0.4248
66 L A 1.5971
67 C A 0.4231
68 P A -0.1610
69 P A -0.3296
70 G A -0.2210
71 W A 0.1690
72 V A 0.2696
73 G A -0.1973
74 E A -0.9094
75 R A -1.9459
76 C A 0.0000
77 Q A -0.6119
78 L A -0.2360
79 E A -1.7308
80 D A 0.0000
81 P A -0.2216
82 C A -0.0495
83 H A -0.9959
84 S A -0.4524
85 G A -0.3672
86 P A -0.2930
87 C A -0.0771
88 A A 0.0052
89 G A -0.5501
90 R A -1.2499
91 G A -0.2470
92 V A 0.3609
93 C A 0.1778
94 Q A -0.1264
95 S A 0.1099
96 S A -0.4085
97 V A 0.0000
98 V A 0.0000
99 A A -0.0773
100 G A -0.4645
101 T A -0.0984
102 A A -0.3340
103 R A -1.5144
104 F A 1.3365
105 S A 0.2848
106 C A 0.0265
107 R A -0.4227
108 C A 0.0000
109 P A -0.5982
110 R A -1.9584
111 G A -0.6562
112 F A 0.1187
113 R A -0.1853
114 G A -0.4618
115 P A -0.5382
116 D A -0.9607
117 C A 0.2642
118 S A -0.0804
119 L A 0.0928
120 P A -0.1740
121 D A 0.0000
122 P A -0.0469
123 C A 0.0000
124 L A 1.4155
125 S A 0.0388
126 S A -0.1037
127 P A -0.0777
128 C A 0.1178
129 A A -0.1001
130 H A -1.0663
131 G A -0.6519
132 A A -0.4866
133 R A -1.8203
134 C A -0.2275
135 S A -0.0632
136 V A 0.2399
137 G A 0.0000
138 P A -0.5707
139 D A -1.9226
140 G A -1.1660
141 R A -1.5674
142 F A 1.6742
143 L A 0.8340
144 C A 0.2518
145 S A -0.0367
146 C A 0.3444
147 P A -0.0962
148 P A -0.2871
149 G A -0.0167
150 Y A 0.2051
151 Q A -0.9896
152 G A -0.6396
153 R A -1.9047
154 S A -0.5053
155 C A -0.0238
156 R A -1.7936
157 S A -0.4964
158 D A -0.0624
159 V A 1.6274
160 D A -0.1569
161 E A 0.0000
162 C A -0.1565
163 R A -1.5807
164 V A 0.8817
165 G A 0.0000
166 E A -1.8665
167 P A -0.5673
168 C A -0.2848
169 R A -2.0108
170 H A -1.4208
171 G A -0.7393
172 G A -0.5564
173 T A -0.0437
174 C A 0.5718
175 L A 1.2049
176 N A -1.0090
177 T A -0.3257
178 P A -0.2999
179 G A -0.2739
180 S A -0.0755
181 F A -0.1499
182 R A -1.7824
183 C A -0.4048
184 Q A -1.1567
185 C A -0.1818
186 P A -0.2288
187 A A -0.0212
188 G A 0.0556
189 Y A 0.2129
190 T A -0.0288
191 G A -0.0707
192 P A -0.1357
193 L A 0.6546
194 C A 0.0000
195 E A -2.0669
196 N A -1.6409
197 P A -0.2842
198 A A 0.1216
199 V A 0.3671
200 P A -0.0155
201 C A 0.6852
202 A A 0.0862
203 P A -0.1729
204 S A -0.1702
205 P A -0.2352
206 C A -0.1830
207 R A -1.9174
208 N A -1.0292
209 G A -0.6635
210 G A -0.5380
211 T A -0.0849
212 C A -0.0756
213 R A -1.8742
214 Q A -0.8101
215 S A -0.3649
216 G A -0.7579
217 D A -1.5656
218 L A 1.1984
219 T A 0.2461
220 Y A 0.0000
221 D A -1.7663
222 C A -0.1551
223 A A 0.0589
224 C A 0.0000
225 L A 1.5013
226 P A 0.0021
227 G A 0.0140
228 F A 0.6397
229 E A -0.7476
230 G A -0.5961
231 Q A -1.3040
232 N A -0.6444
233 C A 0.0000
234 E A -0.9439
235 V A 0.0000
236 N A -1.2358
237 V A -0.2834
238 D A -1.3870
239 D A -1.8559
240 C A 0.2898
241 P A -0.0921
242 G A -0.5463
243 H A -1.2628
244 R A -2.0017
245 C A 0.0000
246 L A 0.0017
247 N A -1.3032
248 G A -0.7634
249 G A -0.5575
250 T A -0.0738
251 C A 0.3938
252 V A 0.7228
253 D A -1.6212
254 G A -0.2819
255 V A 0.9131
256 N A -1.0652
257 T A -0.2762
258 Y A 0.1711
259 N A -0.5874
260 C A -0.2020
261 Q A -1.1752
262 C A 0.0000
263 P A -0.2901
264 P A -0.2930
265 E A -0.2641
266 W A 0.0813
267 T A 0.0000
268 G A -0.3952
269 Q A -1.1477
270 F A 0.2259
271 C A 0.1803
272 T A -0.3085
273 E A -1.5177
274 D A -0.4985
275 V A 0.2330
276 D A -0.4081
277 E A -0.4365
278 C A -0.1782
279 Q A -0.9130
280 L A 1.1032
281 Q A -0.8735
282 P A -0.7001
283 N A -1.3051
284 A A -0.1013
285 C A 0.3498
286 H A -0.5563
287 N A -0.9319
288 G A -0.2633
289 G A -0.1835
290 T A 0.1003
291 C A 0.5793
292 F A 1.8890
293 N A -0.0149
294 T A 0.1806
295 L A 1.3730
296 G A -0.0558
297 G A -0.3792
298 H A -1.0535
299 S A -0.1758
300 C A 0.3081
301 V A 1.2957
302 C A 0.3322
303 V A -0.0164
304 N A -1.2364
305 G A 0.0000
306 W A 0.1339
307 T A -0.0526
308 G A -0.5832
309 E A -1.8834
310 S A -0.4234
311 C A 0.0701
312 S A -0.2184
313 Q A -0.8996
314 N A -0.3028
315 I A 1.0129
316 D A -0.7839
317 D A 0.0000
318 C A 0.0084
319 A A -0.0105
320 T A 0.1523
321 A A 0.1202
322 V A 0.5706
323 C A 0.0000
324 F A 1.0216
325 H A -0.1770
326 G A -0.5205
327 A A -0.1285
328 T A -0.0480
329 C A -0.0355
330 H A -0.6923
331 D A -1.0866
332 R A -1.2715
333 V A 0.0824
334 A A 0.0788
335 S A -0.0601
336 F A 0.7570
337 Y A 1.1512
338 C A 0.0000
339 A A 0.0629
340 C A 0.2877
341 P A 0.0000
342 M A 1.0534
343 G A 0.0000
344 K A -0.2008
345 T A 0.0000
346 G A -0.3527
347 L A 0.5601
348 L A 0.2677
349 C A 0.0000
350 H A 0.0000
351 L A 0.1362
352 D A -1.6998
353 D A 0.0000
354 A A 0.0103
355 C A 0.0000
356 V A 1.4524
357 S A -0.1761
358 N A -1.3595
359 P A -0.4847
360 C A 0.0226
361 H A -0.5660
362 E A -2.1968
363 D A -2.1312
364 A A 0.0000
365 I A 2.0381
366 C A 0.3992
367 D A -0.5854
368 T A -0.2462
369 N A -0.6589
370 P A -0.3383
371 V A 0.1265
372 N A 0.0000
373 G A 0.0000
374 R A -0.9515
375 A A 0.0000
376 I A 0.9406
377 C A 0.0000
378 T A 0.0404
379 C A 0.4413
380 P A -0.0157
381 P A -0.2817
382 G A -0.1308
383 F A 0.0000
384 T A -0.0698
385 G A -0.2842
386 G A -0.2999
387 A A 0.0000
388 C A 0.0000
389 D A -1.8195
390 Q A -0.4146
391 D A -0.2916
392 V A 0.3697
393 D A -1.1680
394 E A 0.0000
395 C A 0.2290
396 S A 0.2345
397 I A 1.9384
398 G A 0.2060
399 A A -0.2385
400 N A -1.2807
401 P A -0.3139
402 C A 0.0000
403 E A -1.7911
404 H A -0.7568
405 L A 0.5169
406 G A -0.1747
407 R A -1.4254
408 C A 0.0258
409 V A 0.4648
410 N A 0.0000
411 T A -0.1213
412 Q A -0.5197
413 G A -0.5584
414 S A -0.1251
415 F A 0.5938
416 L A 1.1539
417 C A 0.2769
418 Q A -0.3607
419 C A -0.0084
420 G A -0.1877
421 R A -0.2471
422 G A -0.1660
423 Y A 0.0000
424 T A -0.0954
425 G A -0.3913
426 P A -0.4961
427 R A -1.1634
428 C A 0.0000
429 E A -1.0957
430 T A -0.3351
431 D A -0.3766
432 V A 0.9934
433 N A -0.4892
434 E A -0.3268
435 C A 0.3920
436 L A 1.5213
437 S A 0.0595
438 G A 0.0085
439 P A -0.0405
440 C A -0.2544
441 R A -2.0609
442 N A -1.8420
443 Q A -1.4384
444 A A 0.0000
445 T A -0.0437
446 C A 0.1929
447 L A 0.3058
448 D A -0.3598
449 R A -0.8331
450 I A 0.0962
451 G A -0.5015
452 Q A -1.2426
453 F A -0.0064
454 T A 0.0264
455 C A 0.0000
456 I A 2.0288
457 C A 0.6810
458 M A 1.0807
459 A A 0.1721
460 G A -0.3975
461 F A -0.0145
462 T A -0.0704
463 G A -0.4850
464 T A 0.0882
465 Y A 1.3020
466 C A 0.0000
467 E A -1.6877
468 V A 0.0062
469 D A -1.5959
470 I A -0.4690
471 D A -1.8449
472 E A -0.8534
473 C A 0.0000
474 Q A -1.2386
475 S A -0.5123
476 S A -0.1686
477 P A -0.2542
478 C A 0.2571
479 V A 0.9017
480 N A -1.1484
481 G A -0.7992
482 G A -0.2150
483 V A 1.5988
484 C A 0.2315
485 K A -1.3489
486 D A -2.3295
487 R A -1.9391
488 V A 0.7412
489 N A -1.0415
490 G A -0.4093
491 F A 0.5891
492 S A -0.1386
493 C A 0.0925
494 T A 0.0172
495 C A 0.0350
496 P A -0.0474
497 S A -0.3013
498 G A -0.3956
499 F A 0.1785
500 S A 0.1629
501 G A -0.2131
502 S A -0.2577
503 T A -0.0937
504 C A -0.1515
505 Q A -0.8877
506 L A 0.9776
507 D A -1.3882
508 V A -0.1202
509 D A -1.7426
510 E A -0.5876
511 C A 0.2588
512 A A 0.0537
513 S A -0.1578
514 T A -0.1680
515 P A -0.2398
516 C A -0.2124
517 R A -1.8332
518 N A -0.5584
519 G A -0.4865
520 A A -0.4013
521 K A -1.6718
522 C A -0.1366
523 V A 0.0214
524 D A -1.8713
525 Q A -1.4725
526 P A -0.7950
527 D A -1.8498
528 G A -0.4749
529 Y A 0.0137
530 E A -0.6847
531 C A 0.0000
532 R A -1.8441
533 C A 0.0000
534 A A -0.2784
535 E A -1.8191
536 G A -0.0953
537 F A 0.0326
538 E A -0.6508
539 G A -0.5900
540 T A 0.1875
541 L A 1.5639
542 C A 0.0759
543 D A -2.1079
544 R A -2.2559
545 N A -0.6291
546 V A 0.1877
547 D A -1.9674
548 D A -2.0178
549 C A 0.0839
550 S A 0.0326
551 P A -0.4600
552 D A -1.8597
553 P A -0.6945
554 C A -0.3359
555 H A -1.0574
556 H A -0.7035
557 G A -0.6529
558 R A -1.8837
559 C A 0.0000
560 V A 0.1158
561 D A -0.4738
562 G A -0.1770
563 I A 1.6117
564 A A 0.3454
565 S A 0.2313
566 F A 1.8042
567 S A 0.2578
568 C A 0.1517
569 A A 0.0769
570 C A 0.0000
571 A A 0.0124
572 P A -0.2582
573 G A -0.1218
574 Y A 0.0000
575 T A -0.1140
576 G A -0.4833
577 T A -0.5068
578 R A -1.8565
579 C A 0.0000
580 E A -0.8143
581 S A -0.5440
582 Q A -1.0864
583 V A 0.1875
584 D A -1.5696
585 E A -0.5308
586 C A 0.1688
587 R A -1.8036
588 S A -0.7802
589 Q A -1.2775
590 P A -0.6016
591 C A -0.2129
592 R A -1.8709
593 H A -0.6909
594 G A -0.2666
595 G A -0.8055
596 K A -1.7639
597 C A 0.0538
598 L A 1.2443
599 D A -0.7930
600 L A 1.0013
601 V A 1.0398
602 D A -0.6733
603 K A -1.6144
604 Y A -0.0753
605 L A 0.7505
606 C A 0.0000
607 R A -1.0372
608 C A 0.0000
609 P A -0.2670
610 S A -0.1939
611 G A -0.4416
612 T A 0.0000
613 T A -0.1148
614 G A -0.2899
615 V A 0.4867
616 N A -1.0233
617 C A 0.0000
618 E A -1.4016
619 V A 1.4447
620 N A 0.0000
621 I A 1.9440
622 D A -0.3400
623 D A -1.7541
624 C A 0.2052
625 A A 0.0704
626 S A -0.2725
627 N A -0.4104
628 P A -0.3175
629 C A 0.0000
630 T A 0.3027
631 F A 1.9123
632 G A 0.6142
633 V A 1.6746
634 C A 0.1096
635 R A -1.9779
636 D A -0.6024
637 G A -0.2533
638 I A 0.2170
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1974 T A 0.0000
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1995 F A 0.2181
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1998 R A 0.0000
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2249 P A -0.4334
2250 E A -0.9540
2251 S A -0.3779
2252 P A -0.2447
2253 E A -0.8776
2254 H A -0.9175
2255 W A 0.8624
2256 A A 0.2163
2257 S A -0.1215
2258 P A -0.2917
2259 S A -0.1689
2260 P A 0.0734
2261 P A -0.1233
2262 S A 0.0609
2263 L A 1.4630
2264 S A -0.2525
2265 D A -1.7085
2266 W A 0.2807
2267 S A -0.2869
2268 E A -1.8708
2269 S A -0.5763
2270 T A -0.1175
2271 P A -0.1061
2272 S A -0.2663
2273 P A -0.2840
2274 A A 0.0069
2275 T A -0.0134
2276 A A 0.0000
2277 T A -0.1191
2278 G A -0.4729
2279 A A -0.0637
2280 M A 0.1001
2281 A A 0.0645
2282 T A -0.0539
2283 T A -0.0311
2284 T A 0.0000
2285 G A -0.0773
2286 A A 0.3319
2287 L A 1.5082
2288 P A 0.0443
2289 A A -0.0871
2290 Q A -1.2043
2291 P A 0.0282
2292 L A 1.4910
2293 P A 0.3419
2294 L A 1.4583
2295 S A 0.4153
2296 V A 1.7007
2297 P A 0.1376
2298 S A -0.1382
2299 S A 0.1284
2300 L A 1.5244
2301 A A 0.0916
2302 Q A -1.1861
2303 A A -0.2581
2304 Q A -0.5047
2305 T A -0.3204
2306 Q A -0.5133
2307 L A 1.3414
2308 G A -0.0150
2309 P A -0.4144
2310 Q A -1.2429
2311 P A -0.8782
2312 E A -1.5154
2313 V A 1.4177
2314 T A 0.2664
2315 P A -0.5792
2316 K A -2.0976
2317 R A -2.3963
2318 Q A -1.3381
2319 V A 1.1996
2320 L A 1.7734
2321 A A 0.3535
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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, -0.2365 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_11 -0.2365 View CSV PDB
model_4 -0.237 View CSV PDB
model_6 -0.2372 View CSV PDB
model_1 -0.241 View CSV PDB
model_7 -0.246 View CSV PDB
CABS_average -0.2461 View CSV PDB
model_2 -0.2467 View CSV PDB
model_10 -0.2482 View CSV PDB
model_8 -0.2489 View CSV PDB
model_9 -0.249 View CSV PDB
model_5 -0.2499 View CSV PDB
model_0 -0.2508 View CSV PDB
model_3 -0.2621 View CSV PDB
input -0.2803 View CSV PDB