Project name: C484Y_5_4D

Status: done

Started: 2026-06-12 13:57:21
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVYKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:02)
[INFO]       CABS:     Running CABS flex simulation                                                (00:37:44)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:49:03)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:49:47)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:50:32)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:51:17)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:52:02)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:52:47)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:53:31)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:54:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:54:57)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:55:42)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:56:26)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:57:10)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:57:54)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:59:19)
[INFO]       Main:     Simulation completed successfully.                                          (13:00:01)
Show buried residues

Minimal score value
-2.585
Maximal score value
2.5028
Average score
-0.2108
Total score value
-489.1835

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 0.3702
2 G A -0.3883
3 P A -0.1297
4 G A 0.0000
5 A A -0.0091
6 R A -0.3047
7 G A -0.6102
8 R A -0.8829
9 R A -1.3985
10 R A 0.0000
11 R A -1.8441
12 R A 0.0000
13 R A -0.6305
14 P A 0.0000
15 M A 0.0000
16 S A -0.2190
17 P A -0.1221
18 P A -0.2784
19 P A -0.1889
20 P A -0.2987
21 P A -0.1897
22 P A -0.0887
23 P A -0.0208
24 V A 0.3232
25 R A -1.5230
26 A A -0.0850
27 L A 0.9173
28 P A -0.0447
29 L A 0.4478
30 L A 1.6315
31 L A 0.6427
32 L A 0.8969
33 L A 1.5154
34 A A 0.2253
35 G A -0.5057
36 P A -0.4330
37 G A -0.5116
38 A A -0.0706
39 A A 0.0000
40 A A 0.2047
41 P A -0.0474
42 P A -0.0354
43 C A 0.0000
44 L A 0.2710
45 D A -1.7665
46 G A -0.8225
47 S A -0.1680
48 P A 0.0000
49 C A 0.0000
50 A A -0.2196
51 N A -1.3687
52 G A -0.7291
53 G A -0.6672
54 R A -1.8291
55 C A -0.1805
56 T A -0.0489
57 Q A -0.2963
58 L A 0.0000
59 P A -0.0538
60 S A -0.0382
61 R A 0.0000
62 E A -1.1094
63 A A 0.0000
64 A A 0.0304
65 C A 0.4054
66 L A 1.5638
67 C A 0.0000
68 P A -0.1561
69 P A -0.2785
70 G A 0.0000
71 W A 0.0000
72 V A 0.2530
73 G A -0.3738
74 E A -2.0063
75 R A -1.2706
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0000
79 E A -0.8070
80 D A -1.5967
81 P A 0.0000
82 C A -0.0624
83 H A -0.9921
84 S A -0.3224
85 G A 0.0000
86 P A -0.4180
87 C A 0.0697
88 A A -0.0397
89 G A -0.8118
90 R A -1.9707
91 G A -0.4177
92 V A 0.0000
93 C A 0.0000
94 Q A -0.3293
95 S A -0.0568
96 S A 0.2493
97 V A 1.7009
98 V A 0.7779
99 A A 0.0875
100 G A -0.5313
101 T A -0.0512
102 A A -0.2601
103 R A -1.2242
104 F A 0.4826
105 S A 0.0000
106 C A 0.0076
107 R A -0.9591
108 C A 0.0000
109 P A -0.4259
110 R A -0.9868
111 G A -0.4719
112 F A -0.0043
113 R A -1.7849
114 G A -0.6115
115 P A -0.6325
116 D A -1.8373
117 C A 0.0000
118 S A 0.0177
119 L A 1.1491
120 P A 0.2188
121 D A -0.3026
122 P A -0.2540
123 C A 0.4578
124 L A 1.5474
125 S A 0.0244
126 S A -0.2871
127 P A -0.2230
128 C A 0.0748
129 A A -0.0171
130 H A -0.5700
131 G A -0.5563
132 A A -0.4166
133 R A -1.7993
134 C A -0.1282
135 S A 0.1775
136 V A 0.3456
137 G A -0.4138
138 P A -0.8149
139 D A -1.8808
140 G A -1.0522
141 R A -1.8604
142 F A 0.3486
143 L A 1.6329
144 C A 0.4595
145 S A -0.0347
146 C A 0.0726
147 P A 0.0000
148 P A -0.3404
149 G A -0.2519
150 Y A 1.1713
151 Q A -0.1118
152 G A -0.7934
153 R A -1.9412
154 S A -0.5841
155 C A 0.1789
156 R A -1.7871
157 S A -0.9279
158 D A -1.7682
159 V A -0.4349
160 D A -1.7353
161 E A 0.0000
162 C A -0.0394
163 R A -1.4905
164 V A 1.3489
165 G A -0.4534
166 E A -1.8067
167 P A -0.3890
168 C A -0.1984
169 R A -1.9973
170 H A -1.4293
171 G A -0.7432
172 G A -0.5562
173 T A -0.0393
174 C A 0.6177
175 L A 1.3977
176 N A -0.3386
177 T A -0.1619
178 P A -0.2101
179 G A -0.4959
180 S A -0.0891
181 F A 0.0173
182 R A -0.5377
183 C A 0.0000
184 Q A -1.1704
185 C A -0.1327
186 P A -0.2221
187 A A 0.0535
188 G A -0.2122
189 Y A 1.2291
190 T A 0.1901
191 G A 0.0000
192 P A 0.1582
193 L A 1.4964
194 C A 0.3188
195 E A -1.8347
196 N A -0.8292
197 P A -0.3293
198 A A 0.3110
199 V A 1.7400
200 P A 0.3653
201 C A 0.0880
202 A A -0.0197
203 P A -0.2534
204 S A 0.0000
205 P A -0.0957
206 C A -0.0778
207 R A -1.2691
208 N A -1.5668
209 G A -0.7333
210 G A -0.1922
211 T A 0.0000
212 C A -0.1603
213 R A -2.0428
214 Q A -1.5289
215 S A -0.4964
216 G A -0.8353
217 D A -1.5748
218 L A 1.1909
219 T A 0.3353
220 Y A 0.1499
221 D A -0.8603
222 C A 0.0000
223 A A 0.0068
224 C A 0.0000
225 L A 0.0000
226 P A -0.1683
227 G A 0.0781
228 F A 1.7191
229 E A -0.6984
230 G A -0.6824
231 Q A -1.3172
232 N A -0.6671
233 C A 0.0000
234 E A -1.0744
235 V A -0.0694
236 N A -1.1361
237 V A -0.1491
238 D A -1.7093
239 D A 0.0000
240 C A 0.0000
241 P A -0.1916
242 G A -0.5543
243 H A -0.8556
244 R A -1.9217
245 C A 0.0000
246 L A 1.3825
247 N A -0.4315
248 G A -0.3339
249 G A -0.2069
250 T A -0.0585
251 C A 0.4919
252 V A 1.6197
253 D A -0.0811
254 G A -0.1650
255 V A 0.4294
256 N A 0.0000
257 T A -0.0655
258 Y A -0.0945
259 N A -0.8268
260 C A 0.0000
261 Q A -0.8998
262 C A 0.0000
263 P A -0.0977
264 P A -0.4563
265 E A -1.0139
266 W A 0.4286
267 T A -0.0263
268 G A -0.5395
269 Q A -0.2676
270 F A 0.6665
271 C A 0.0000
272 T A 0.0000
273 E A -0.5358
274 D A -0.3243
275 V A 0.2579
276 D A 0.0000
277 E A -0.1935
278 C A 0.0000
279 Q A -0.9319
280 L A 1.2518
281 Q A 0.0240
282 P A -0.3804
283 N A -0.4859
284 A A 0.0000
285 C A -0.1125
286 H A -1.0978
287 N A -0.6208
288 G A -0.3760
289 G A -0.4322
290 T A 0.0000
291 C A 0.0775
292 F A 0.0000
293 N A -0.1651
294 T A 0.0000
295 L A 0.7902
296 G A 0.0821
297 G A 0.0000
298 H A 0.0000
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 0.0000
305 G A 0.0000
306 W A 0.0000
307 T A -0.0084
308 G A 0.0000
309 E A -0.4804
310 S A -0.1641
311 C A -0.0377
312 S A -0.2246
313 Q A -0.3484
314 N A -0.8557
315 I A 0.0973
316 D A -0.7518
317 D A 0.0000
318 C A 0.2956
319 A A 0.1059
320 T A 0.0000
321 A A 0.0000
322 V A 0.3544
323 C A 0.0000
324 F A 1.7054
325 H A -0.7112
326 G A -0.4464
327 A A -0.0728
328 T A -0.0062
329 C A -0.0314
330 H A -1.1406
331 D A -1.2631
332 R A -1.1953
333 V A 0.0000
334 A A 0.0000
335 S A 0.0000
336 F A 0.0000
337 Y A 0.1944
338 C A 0.0000
339 A A 0.1266
340 C A 0.6067
341 P A 0.1954
342 M A 0.3419
343 G A 0.0000
344 K A -0.6106
345 T A 0.0000
346 G A 0.0000
347 L A 0.0000
348 L A 0.0000
349 C A 0.0000
350 H A -0.1404
351 L A -0.1464
352 D A -1.8770
353 D A -0.8451
354 A A -0.0670
355 C A 0.0000
356 V A 0.2148
357 S A -0.2052
358 N A -0.3111
359 P A -0.2982
360 C A 0.0000
361 H A 0.0000
362 E A -0.4375
363 D A -0.5996
364 A A 0.0000
365 I A 0.0000
366 C A 0.0000
367 D A 0.0000
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -0.2963
373 G A -0.6157
374 R A -0.6554
375 A A -0.0959
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.0886
381 P A -0.0482
382 G A 0.0000
383 F A 0.0000
384 T A -0.0824
385 G A -0.4411
386 G A -0.3781
387 A A -0.0448
388 C A 0.0000
389 D A -1.6106
390 Q A -1.7846
391 D A -1.9758
392 V A -0.2520
393 D A -0.6269
394 E A -0.9613
395 C A 0.0000
396 S A -0.1021
397 I A 0.0000
398 G A -0.0513
399 A A -0.0840
400 N A -0.5808
401 P A -0.3825
402 C A 0.0000
403 E A -1.9338
404 H A -0.7656
405 L A 0.6578
406 G A -0.4091
407 R A -0.5314
408 C A 0.1478
409 V A 0.8475
410 N A -0.2159
411 T A -0.2976
412 Q A -1.0164
413 G A -0.5930
414 S A -0.1071
415 F A 0.4696
416 L A 0.4295
417 C A 0.0000
418 Q A -0.3265
419 C A 0.0000
420 G A -0.3336
421 R A -0.8437
422 G A 0.0000
423 Y A 0.0000
424 T A 0.0000
425 G A 0.0000
426 P A -0.2506
427 R A -0.2972
428 C A -0.1481
429 E A -1.0219
430 T A -0.2636
431 D A -0.2659
432 V A 0.1053
433 N A -0.3270
434 E A -1.0916
435 C A 0.3117
436 L A 0.9568
437 S A -0.1262
438 G A -0.5142
439 P A -0.1098
440 C A -0.2115
441 R A -1.8059
442 N A -1.8019
443 Q A -1.4334
444 A A -0.2135
445 T A -0.0366
446 C A 0.4411
447 L A 1.4720
448 D A -0.6168
449 R A -1.5689
450 I A 1.5741
451 G A -0.1177
452 Q A -0.2993
453 F A 0.0000
454 T A -0.0025
455 C A 0.4750
456 I A 2.0261
457 C A 0.0000
458 M A 0.0000
459 A A -0.0329
460 G A -0.4562
461 F A 0.0000
462 T A -0.1195
463 G A -0.4588
464 T A 0.1228
465 Y A 1.3464
466 C A 0.2392
467 E A -0.6730
468 V A 0.8356
469 D A -1.5309
470 I A 0.0000
471 D A -2.0106
472 E A -1.3967
473 C A 0.1357
474 Q A -1.1174
475 S A -0.4030
476 S A -0.1676
477 P A -0.2249
478 C A 0.4823
479 V A 1.4270
480 N A -0.2276
481 G A -0.6362
482 G A -0.5058
483 V A 0.2034
484 Y A -0.0563
485 K A -1.9940
486 D A -2.4167
487 R A -2.1183
488 V A -0.2610
489 N A -1.2088
490 G A -0.2473
491 F A 1.5926
492 S A 0.2344
493 C A 0.0937
494 T A -0.0112
495 C A 0.0588
496 P A -0.1242
497 S A -0.0979
498 G A -0.0063
499 F A 1.4589
500 S A 0.1466
501 G A -0.5190
502 S A -0.3168
503 T A -0.0840
504 C A 0.0064
505 Q A -0.3331
506 L A 1.2067
507 D A -0.7626
508 V A -0.0496
509 D A -1.8393
510 E A -1.0284
511 C A 0.3223
512 A A 0.0050
513 S A -0.2112
514 T A -0.1213
515 P A -0.1209
516 C A 0.3278
517 R A -1.9450
518 N A -1.7108
519 G A -0.6945
520 A A -0.3266
521 K A -1.5642
522 C A 0.4908
523 V A 0.2104
524 D A -1.8397
525 Q A -1.2746
526 P A -0.7529
527 D A -1.8562
528 G A -0.5196
529 Y A -0.1815
530 E A -1.6917
531 C A -0.4744
532 R A -1.7786
533 C A -0.1517
534 A A -0.0272
535 E A -0.7074
536 G A -0.2474
537 F A 1.5393
538 E A -0.5192
539 G A -0.6178
540 T A 0.2733
541 L A 1.6786
542 C A 0.7329
543 D A -1.4400
544 R A -0.8799
545 N A -0.0969
546 V A -0.1071
547 D A -1.8217
548 D A -0.7672
549 C A -0.0162
550 S A -0.2232
551 P A -0.5377
552 D A -1.8531
553 P A -0.4709
554 C A 0.0031
555 H A -1.1545
556 H A -1.2178
557 G A -0.8088
558 R A -1.8484
559 C A 0.0566
560 V A 1.1350
561 D A -0.2844
562 G A -0.1820
563 I A 1.9354
564 A A 0.4297
565 S A 0.0991
566 F A 0.7075
567 S A 0.0857
568 C A 0.0000
569 A A 0.0000
570 C A 0.0000
571 A A 0.0000
572 P A -0.3407
573 G A -0.2657
574 Y A 1.1496
575 T A 0.1483
576 G A -0.4033
577 T A -0.2807
578 R A -0.7916
579 C A -0.2405
580 E A -1.7876
581 S A -0.5525
582 Q A -0.4303
583 V A -0.1489
584 D A -1.6917
585 E A -1.3167
586 C A 0.0000
587 R A -1.8839
588 S A -0.7800
589 Q A -1.3070
590 P A -0.5802
591 C A 0.0000
592 R A -1.8996
593 H A -0.7700
594 G A -0.5769
595 G A -0.6558
596 K A -1.4194
597 C A 0.4123
598 L A 1.3589
599 D A 0.1477
600 L A 1.2894
601 V A 0.5033
602 D A -1.9826
603 K A -1.7664
604 Y A 0.0000
605 L A 0.5291
606 C A 0.0000
607 R A -1.7053
608 C A 0.0000
609 P A -0.0900
610 S A -0.3104
611 G A -0.5066
612 T A 0.0000
613 T A -0.1185
614 G A -0.2295
615 V A 0.9332
616 N A -1.0078
617 C A -0.4998
618 E A -1.4722
619 V A 1.3372
620 N A 0.1811
621 I A 1.9466
622 D A -0.3105
623 D A -1.7167
624 C A 0.2926
625 A A 0.1135
626 S A -0.3220
627 N A -0.6896
628 P A -0.3205
629 C A 0.1855
630 T A 0.3240
631 F A 1.9034
632 G A 0.3764
633 V A 0.5971
634 C A 0.2154
635 R A -1.9023
636 D A -1.1264
637 G A -0.1214
638 I A 0.7760
639 N A -1.0028
640 R A -0.8743
641 Y A -0.4326
642 D A -0.8735
643 C A 0.0000
644 V A 0.2984
645 C A 0.0000
646 Q A -1.2039
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1968 Q A -0.6711
1969 D A -1.8835
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1971 K A -1.6290
1972 E A -1.5880
1973 E A -1.9174
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.4657
1978 L A 0.0000
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1980 A A 0.0000
1981 R A -1.3813
1982 E A -1.1336
1983 G A -0.3592
1984 S A -0.0942
1985 Y A 0.1925
1986 E A 0.0000
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1991 L A 0.0000
1992 L A 0.0000
1993 D A -0.2589
1994 H A -0.2355
1995 F A 0.0000
1996 A A 0.0000
1997 N A 0.0000
1998 R A -2.1893
1999 E A -2.1031
2000 I A 0.0000
2001 T A -0.1258
2002 D A -0.3758
2003 H A -0.4927
2004 L A 0.0288
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2006 R A -1.3715
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2008 P A 0.0000
2009 R A -0.4540
2010 D A -0.8359
2011 V A 0.0528
2012 A A 0.0000
2013 Q A -1.2903
2014 E A -2.2049
2015 R A -1.2376
2016 L A 1.2123
2017 H A -0.0165
2018 Q A -0.6496
2019 D A -0.4696
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2284 T A -0.0757
2285 G A -0.2616
2286 A A 0.0200
2287 L A 0.2910
2288 P A 0.0179
2289 A A -0.0162
2290 Q A -0.3701
2291 P A -0.3188
2292 L A 0.0000
2293 P A 0.1608
2294 L A 0.9588
2295 S A 0.1647
2296 V A 0.0000
2297 P A -0.0738
2298 S A -0.0559
2299 S A 0.0000
2300 L A 1.5477
2301 A A 0.0000
2302 Q A -0.2832
2303 A A -0.0283
2304 Q A -0.1417
2305 T A -0.1172
2306 Q A 0.0997
2307 L A 1.4789
2308 G A 0.0580
2309 P A -0.3119
2310 Q A -0.1958
2311 P A -0.2786
2312 E A -0.3535
2313 V A 1.4369
2314 T A 0.2360
2315 P A -0.3506
2316 K A -0.8919
2317 R A -2.0609
2318 Q A -0.6617
2319 V A 1.7022
2320 L A 0.6120
2321 A A 0.1093
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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, -0.2108 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_0 -0.2108 View CSV PDB
model_5 -0.2196 View CSV PDB
model_9 -0.2201 View CSV PDB
model_6 -0.2214 View CSV PDB
model_1 -0.2226 View CSV PDB
model_2 -0.2258 View CSV PDB
CABS_average -0.2259 View CSV PDB
model_10 -0.2276 View CSV PDB
model_7 -0.228 View CSV PDB
model_4 -0.2287 View CSV PDB
model_3 -0.2296 View CSV PDB
model_8 -0.2298 View CSV PDB
model_11 -0.2472 View CSV PDB
input -0.2791 View CSV PDB