Project name: R75P_4D

Status: done

Started: 2026-05-10 08:16:15
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGEPCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:22:40)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (13:57:22)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (13:58:08)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (13:58:53)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (13:59:39)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:00:24)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:01:10)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:01:55)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:02:41)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:03:26)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:04:12)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:04:57)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:05:43)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:06:28)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:08:00)
[INFO]       Main:     Simulation completed successfully.                                          (14:08:45)
Show buried residues

Minimal score value
-3.7898
Maximal score value
6.1454
Average score
-0.5314
Total score value
-1233.4438

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 1.6234
2 G A 0.0140
3 P A -0.8173
4 G A -0.9548
5 A A -1.3215
6 R A -2.6536
7 G A -2.3878
8 R A -3.3774
9 R A -2.8995
10 R A 0.0000
11 R A -3.5556
12 R A -3.5927
13 R A -3.5385
14 P A -1.5959
15 M A -0.4954
16 S A -0.3786
17 P A -0.3239
18 P A -0.4738
19 P A -0.6659
20 P A -0.7449
21 P A -0.4623
22 P A -0.3335
23 P A -0.0918
24 V A 0.6439
25 R A -0.8298
26 A A -0.4851
27 L A 0.0000
28 P A -0.0672
29 L A 0.8534
30 L A 2.0643
31 L A 1.9980
32 L A 2.3373
33 L A 2.1772
34 A A 0.9360
35 G A 0.1793
36 P A -0.2461
37 G A -0.6795
38 A A -0.6899
39 A A 0.0000
40 A A 0.0000
41 P A 0.0000
42 P A 0.6701
43 C A 0.5431
44 L A 0.5221
45 D A -1.2330
46 G A -0.9839
47 S A -0.5327
48 P A -0.2067
49 C A 0.0000
50 A A -0.2307
51 N A -0.9062
52 G A 0.0184
53 G A 0.0000
54 R A 0.8348
55 C A 0.6057
56 T A 0.0000
57 Q A -2.1940
58 L A -1.8466
59 P A -1.5320
60 S A -1.8252
61 R A -3.1231
62 E A -3.1608
63 A A -1.5459
64 A A -0.3452
65 C A 0.6591
66 L A 0.8113
67 C A 0.0000
68 P A -0.6175
69 P A -0.4860
70 G A -1.2197
71 W A 0.0000
72 V A -1.3249
73 G A -1.5504
74 E A -1.7708
75 P A -0.5098
76 C A -0.0605
77 Q A -0.3467
78 L A -0.4072
79 E A -2.0272
80 D A -1.9264
81 P A -1.1792
82 C A 0.0000
83 H A -1.3890
84 S A -1.1596
85 G A -0.5384
86 P A -1.0220
87 C A -0.7235
88 A A -0.6158
89 G A -1.3169
90 R A -1.9784
91 G A -0.8360
92 V A 0.5146
93 C A -0.2297
94 Q A -1.0711
95 S A 0.0000
96 S A -1.1822
97 V A 0.0000
98 V A 0.1335
99 A A 0.2545
100 G A -0.4700
101 T A -0.1966
102 A A -0.7360
103 R A -0.8977
104 F A 0.3252
105 S A -0.2426
106 C A 0.0000
107 R A -1.2929
108 C A 0.0000
109 P A -1.7686
110 R A -2.3747
111 G A -1.0839
112 F A -0.5017
113 R A -1.8336
114 G A 0.0000
115 P A -0.6628
116 D A -1.5991
117 C A -0.1303
118 S A 0.0143
119 L A 0.2903
120 P A -0.6745
121 D A -1.4834
122 P A -1.3942
123 C A 0.0000
124 L A 0.6582
125 S A 0.2033
126 S A 0.0000
127 P A -0.1889
128 C A -0.3263
129 A A -0.6630
130 H A -0.8869
131 G A -0.7357
132 A A -0.4311
133 R A 0.0000
134 C A 0.0155
135 S A -0.1160
136 V A -0.5273
137 G A -0.9414
138 P A -1.6087
139 D A -2.3658
140 G A -1.9193
141 R A -1.8300
142 F A -0.3940
143 L A 0.2001
144 C A 0.0000
145 S A -0.7066
146 C A 0.0000
147 P A -1.3642
148 P A -1.1945
149 G A -1.5783
150 Y A -2.0048
151 Q A -2.3069
152 G A -2.2744
153 R A -2.5536
154 S A -1.4045
155 C A 0.0000
156 R A -2.4717
157 S A -2.0662
158 D A -2.0339
159 V A -0.5599
160 D A -2.1505
161 E A -1.3585
162 C A -0.8855
163 R A -1.1507
164 V A -0.1926
165 G A -1.5278
166 E A -2.5238
167 P A -1.9696
168 C A -1.9932
169 R A -3.2135
170 H A -2.4944
171 G A -1.5947
172 G A -0.9281
173 T A -0.4826
174 C A -0.4184
175 L A 0.1212
176 N A -1.2019
177 T A -0.7517
178 P A -0.7807
179 G A -0.8909
180 S A -0.9379
181 F A 0.0000
182 R A -0.9008
183 C A 0.0000
184 Q A -0.6025
185 C A 0.0828
186 P A 0.0775
187 A A 0.4937
188 G A 0.4223
189 Y A -0.0909
190 T A 0.0000
191 G A 0.0000
192 P A 0.2123
193 L A 0.7469
194 C A 0.0000
195 E A -2.4093
196 N A -1.5698
197 P A -0.3386
198 A A 0.7699
199 V A 1.8980
200 P A 0.0000
201 C A 1.1667
202 A A 0.9049
203 P A 0.1230
204 S A -0.3928
205 P A -0.9832
206 C A -1.2314
207 R A -2.2235
208 N A -1.4683
209 G A -0.9067
210 G A -0.3355
211 T A -0.4315
212 C A -0.9885
213 R A -2.2945
214 Q A -1.8768
215 S A -1.5249
216 G A -1.5660
217 D A -1.7364
218 L A -0.2153
219 T A -0.8713
220 Y A -0.9281
221 D A -1.5502
222 C A 0.0000
223 A A 0.0000
224 C A 0.0000
225 L A 0.0000
226 P A -0.0058
227 G A -0.7849
228 F A -0.4369
229 E A -2.2313
230 G A -1.8447
231 Q A -1.8005
232 N A -2.1836
233 C A -1.5390
234 E A -2.2539
235 V A -1.4514
236 N A -1.9831
237 V A -1.5741
238 D A -2.7147
239 D A -2.5823
240 C A -1.8220
241 P A -1.5817
242 G A -1.2184
243 H A -1.3116
244 R A -1.5111
245 C A -0.7653
246 L A -0.4416
247 N A -1.3462
248 G A -1.1774
249 G A -0.6592
250 T A -0.4667
251 C A -0.3736
252 V A 0.3461
253 D A -1.4902
254 G A -1.2052
255 V A -1.0789
256 N A 0.0000
257 T A -1.8254
258 Y A 0.0000
259 N A -1.5425
260 C A 0.0000
261 Q A -0.8562
262 C A 0.0000
263 P A -0.9955
264 P A -0.7718
265 E A -0.7735
266 W A -1.1154
267 T A -1.2694
268 G A -1.6270
269 Q A -2.1703
270 F A 0.0000
271 C A -0.9566
272 T A -0.6729
273 E A -0.7209
274 D A -0.6489
275 V A 0.0000
276 D A -1.6222
277 E A 0.0000
278 C A -1.9133
279 Q A -2.2677
280 L A -1.3934
281 Q A -1.8193
282 P A -1.5151
283 N A -1.5910
284 A A -0.7101
285 C A -0.4239
286 H A -0.9656
287 N A -0.9192
288 G A -0.6443
289 G A -0.5761
290 T A -0.3410
291 C A -0.6883
292 F A -0.5798
293 N A 0.0000
294 T A -0.2634
295 L A 0.4814
296 G A -0.3071
297 G A -0.6240
298 H A -1.2739
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 -0.5506
305 G A -0.4298
306 W A -0.4419
307 T A -0.5046
308 G A -0.7698
309 E A -0.7665
310 S A 0.0000
311 C A -0.7605
312 S A -0.7863
313 Q A -1.3996
314 N A -0.8521
315 I A 0.4216
316 D A -0.8331
317 D A -0.5397
318 C A -0.0569
319 A A 0.2162
320 T A 0.5043
321 A A 0.9667
322 V A 1.7467
323 C A 1.6654
324 F A 2.2393
325 H A 0.7489
326 G A 0.0291
327 A A 0.3547
328 T A 0.0694
329 C A 0.0000
330 H A -0.0172
331 D A 0.0000
332 R A -0.1184
333 V A 0.0000
334 A A 0.0072
335 S A 0.5770
336 F A 1.1464
337 Y A 1.2762
338 C A 0.0000
339 A A 0.5708
340 C A 0.0839
341 P A -0.2999
342 M A -0.4928
343 G A -0.9376
344 K A -0.9522
345 T A -0.1413
346 G A 0.0000
347 L A 1.7433
348 L A 1.7470
349 C A 0.0000
350 H A 0.4305
351 L A 0.0000
352 D A 0.0000
353 D A 0.0000
354 A A 0.0000
355 C A 0.0000
356 V A 1.0108
357 S A 0.2695
358 N A -0.1335
359 P A -0.1943
360 C A -0.5798
361 H A -1.8198
362 E A -2.5714
363 D A -2.2453
364 A A -0.6030
365 I A 1.3334
366 C A 0.9372
367 D A -0.1819
368 T A 0.0000
369 N A -0.4293
370 P A 0.0000
371 V A -0.6805
372 N A -1.7708
373 G A -1.6531
374 R A -1.6868
375 A A 0.0000
376 I A -0.0019
377 C A 0.0000
378 T A 0.3591
379 C A 0.0000
380 P A -0.0129
381 P A -0.2175
382 G A 0.4387
383 F A 1.6135
384 T A 0.8843
385 G A 0.2802
386 G A 0.3088
387 A A -0.0757
388 C A 0.0986
389 D A -0.0546
390 Q A -0.1994
391 D A 0.0000
392 V A 0.7784
393 D A -0.3277
394 E A -1.5358
395 C A -1.1484
396 S A -0.6104
397 I A 0.5793
398 G A 0.3326
399 A A 0.1487
400 N A -0.2056
401 P A -0.0703
402 C A 0.0000
403 E A -1.0750
404 H A -1.7912
405 L A -1.1900
406 G A -1.5716
407 R A -1.8441
408 C A 0.0000
409 V A 0.7852
410 N A 0.1830
411 T A -0.1798
412 Q A -1.0571
413 G A -0.7747
414 S A -0.4202
415 F A 1.2648
416 L A 1.4834
417 C A -0.2045
418 Q A -1.1847
419 C A -1.2358
420 G A -1.3524
421 R A -2.0822
422 G A -0.5935
423 Y A 0.7611
424 T A 0.0840
425 G A -0.7013
426 P A -1.0883
427 R A -2.0540
428 C A 0.0000
429 E A 0.0000
430 T A -0.2506
431 D A 0.0000
432 V A -0.3750
433 N A -1.6784
434 E A -2.3061
435 C A -0.7541
436 L A 0.0000
437 S A -0.5306
438 G A -0.6639
439 P A -0.6527
440 C A -0.4625
441 R A -1.9933
442 N A -2.5653
443 Q A -1.8704
444 A A -0.1928
445 T A 0.4644
446 C A 0.6245
447 L A 0.6181
448 D A -0.6042
449 R A -0.7117
450 I A 0.9253
451 G A -0.5253
452 Q A -1.5345
453 F A 0.0000
454 T A 0.3921
455 C A 0.0000
456 I A 2.3357
457 C A 1.4633
458 M A 1.1760
459 A A 0.2416
460 G A 0.0475
461 F A 0.4914
462 T A -0.5108
463 G A -0.5882
464 T A 0.0000
465 Y A 0.0000
466 C A 0.0000
467 E A -1.5143
468 V A 0.0000
469 D A -1.6160
470 I A -0.8969
471 D A -2.2992
472 E A -1.4932
473 C A -1.3451
474 Q A -1.7862
475 S A -0.9976
476 S A -0.3699
477 P A -0.0528
478 C A -0.0125
479 V A 0.0888
480 N A -1.2240
481 G A -0.6623
482 G A 0.0079
483 V A 0.8259
484 C A 0.0000
485 K A -1.4153
486 D A -1.4018
487 R A -1.5245
488 V A -0.5605
489 N A 0.0000
490 G A -0.7729
491 F A 0.4951
492 S A -0.0286
493 C A 0.4884
494 T A 0.4097
495 C A 0.5033
496 P A -0.0018
497 S A -0.3464
498 G A -0.1875
499 F A 1.1167
500 S A -0.1454
501 G A -0.1660
502 S A -0.3470
503 T A -0.0750
504 C A 0.0000
505 Q A -0.9366
506 L A -0.2635
507 D A -1.3922
508 V A -1.0191
509 D A -2.4769
510 E A -2.2892
511 C A 0.0000
512 A A -0.6085
513 S A -0.5704
514 T A -0.4658
515 P A -0.6431
516 C A -1.3844
517 R A -2.4196
518 N A -1.8485
519 G A -1.6719
520 A A -1.8172
521 K A -2.1570
522 C A -0.7634
523 V A -1.0150
524 D A -1.3531
525 Q A -1.9885
526 P A -1.9160
527 D A -2.6435
528 G A -1.5407
529 Y A -0.6119
530 E A -0.7828
531 C A 0.0000
532 R A -2.1378
533 C A 0.0000
534 A A -1.3203
535 E A -1.7506
536 G A -0.2351
537 F A 1.1099
538 E A -0.6573
539 G A -1.0224
540 T A -1.1205
541 L A -0.3830
542 C A -1.2895
543 D A -2.6546
544 R A -2.7852
545 N A -1.5436
546 V A -0.5992
547 D A -1.8837
548 D A -1.7445
549 C A -0.8871
550 S A -0.7602
551 P A -1.2304
552 D A -1.2255
553 P A -0.8200
554 C A -0.9330
555 H A -1.7209
556 H A -1.8123
557 G A -1.5361
558 R A -1.4915
559 C A -0.3666
560 V A 0.6444
561 D A -0.2810
562 G A -0.2554
563 I A 1.0173
564 A A 0.7713
565 S A -0.1095
566 F A -0.1243
567 S A -0.3610
568 C A 0.0000
569 A A -0.9138
570 C A 0.0000
571 A A -1.0367
572 P A -0.6796
573 G A -0.7542
574 Y A -0.8028
575 T A -1.1576
576 G A -1.4299
577 T A 0.0000
578 R A -2.1871
579 C A -1.1174
580 E A -2.1501
581 S A -1.5246
582 Q A -1.1306
583 V A 0.5628
584 D A -0.6185
585 E A -1.6081
586 C A -0.6111
587 R A -1.6285
588 S A -1.7515
589 Q A -1.8862
590 P A -1.5108
591 C A -0.9384
592 R A -2.8145
593 H A -2.0904
594 G A -2.1233
595 G A -2.5772
596 K A -2.5264
597 C A -0.9130
598 L A 0.0873
599 D A -0.4841
600 L A 0.3865
601 V A 0.5944
602 D A -1.7752
603 K A -1.7207
604 Y A -0.9170
605 L A -0.2648
606 C A -1.5483
607 R A -2.1867
608 C A 0.0000
609 P A -1.2689
610 S A -1.0129
611 G A -1.2783
612 T A 0.0000
613 T A -0.5438
614 G A -0.0742
615 V A 0.4757
616 N A -0.7708
617 C A -0.5780
618 E A -1.1576
619 V A -0.0021
620 N A -1.1451
621 I A -0.2007
622 D A -1.9390
623 D A -2.7047
624 C A 0.0000
625 A A -1.3645
626 S A -1.0174
627 N A -1.1433
628 P A -0.5566
629 C A 0.5441
630 T A 0.6540
631 F A 2.0130
632 G A 1.6371
633 V A 2.1451
634 C A 0.7422
635 R A -1.6633
636 D A -2.3836
637 G A 0.0000
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2262 S A -0.4449
2263 L A -0.2450
2264 S A -0.9076
2265 D A -2.1026
2266 W A 0.0000
2267 S A -0.3459
2268 E A 0.0000
2269 S A -0.7237
2270 T A -1.0625
2271 P A -1.4991
2272 S A -1.0968
2273 P A -1.1313
2274 A A -0.5201
2275 T A -0.4221
2276 A A 0.1097
2277 T A 0.3043
2278 G A 0.4451
2279 A A 0.8124
2280 M A 0.7079
2281 A A 0.1556
2282 T A -0.0629
2283 T A -0.2225
2284 T A -0.3107
2285 G A -0.7731
2286 A A -0.7264
2287 L A 0.0000
2288 P A 0.0000
2289 A A -0.2625
2290 Q A -0.4970
2291 P A -0.3373
2292 L A 0.0070
2293 P A 0.3400
2294 L A 1.6637
2295 S A 1.5508
2296 V A 1.9442
2297 P A 0.9508
2298 S A 0.3433
2299 S A 0.2533
2300 L A 0.1570
2301 A A -0.9594
2302 Q A -2.2469
2303 A A -1.8851
2304 Q A -2.0116
2305 T A -0.8181
2306 Q A -0.1506
2307 L A 1.3829
2308 G A 1.0030
2309 P A -0.1362
2310 Q A -1.0067
2311 P A -1.9233
2312 E A -2.5406
2313 V A 0.0000
2314 T A -1.4457
2315 P A 0.0000
2316 K A -3.0334
2317 R A -3.5057
2318 Q A -2.1054
2319 V A -0.2078
2320 L A 1.1001
2321 A A 0.8999
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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, -0.5314 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_8 -0.5314 View CSV PDB
model_1 -0.5407 View CSV PDB
model_5 -0.5482 View CSV PDB
model_4 -0.5513 View CSV PDB
model_10 -0.5544 View CSV PDB
model_3 -0.5579 View CSV PDB
CABS_average -0.5832 View CSV PDB
model_6 -0.5892 View CSV PDB
model_2 -0.5965 View CSV PDB
model_9 -0.5972 View CSV PDB
model_7 -0.6284 View CSV PDB
model_0 -0.6321 View CSV PDB
model_11 -0.6714 View CSV PDB
input -0.75 View CSV PDB