Project name: P1008S_4D

Status: done

Started: 2026-05-14 06:10:07
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQSCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:27:02)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:09:37)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:10:17)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:10:57)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:11:37)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:12:16)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:12:56)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:13:35)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:14:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:14:53)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:15:32)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:16:12)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:16:51)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:17:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:18:48)
[INFO]       Main:     Simulation completed successfully.                                          (12:19:27)
Show buried residues

Minimal score value
-4.5528
Maximal score value
5.3492
Average score
-0.4876
Total score value
-1131.762

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 0.4438
2 G A -0.3521
3 P A -0.8545
4 G A -1.2859
5 A A -1.3859
6 R A -2.5098
7 G A -2.0576
8 R A -2.2589
9 R A -3.2973
10 R A -3.2000
11 R A -2.6026
12 R A -2.0585
13 R A -2.1511
14 P A -1.1420
15 M A -0.6381
16 S A 0.0000
17 P A -0.8464
18 P A -1.5756
19 P A 0.0000
20 P A 0.0000
21 P A 0.0000
22 P A -0.8543
23 P A 0.4034
24 V A 1.6976
25 R A 0.7068
26 A A 0.5492
27 L A 0.3594
28 P A 0.6831
29 L A 1.6924
30 L A 2.0737
31 L A 2.4900
32 L A 2.7258
33 L A 2.5131
34 A A 1.1228
35 G A -0.0349
36 P A -0.1160
37 G A -0.7787
38 A A -0.2242
39 A A -0.8795
40 A A -1.6587
41 P A -2.1504
42 P A -1.5728
43 C A 0.0000
44 L A 0.1670
45 D A -1.3543
46 G A -1.2280
47 S A -1.2535
48 P A 0.0000
49 C A 0.0000
50 A A -0.9215
51 N A -1.1432
52 G A -1.2648
53 G A -1.0175
54 R A 0.0000
55 C A -0.4333
56 T A -0.9728
57 Q A -2.1215
58 L A -1.5720
59 P A -1.5122
60 S A -1.7007
61 R A -3.1028
62 E A -3.1253
63 A A -1.8629
64 A A 0.0000
65 C A 0.0000
66 L A 0.1551
67 C A 0.0000
68 P A -0.4761
69 P A -0.7506
70 G A -0.8438
71 W A 0.0000
72 V A -0.4729
73 G A 0.0000
74 E A -2.2504
75 R A -2.7811
76 C A 0.0000
77 Q A -1.0278
78 L A 0.0000
79 E A -0.2971
80 D A -0.3064
81 P A 0.0000
82 C A -0.6488
83 H A -1.2269
84 S A -0.4892
85 G A -0.7444
86 P A 0.0000
87 C A 0.0000
88 A A -0.2239
89 G A -0.4594
90 R A -0.6375
91 G A -1.1326
92 V A -0.9526
93 C A -1.0317
94 Q A -1.6123
95 S A -1.1056
96 S A -0.8063
97 V A -0.4577
98 V A 0.2025
99 A A -0.2230
100 G A 0.2822
101 T A 0.6681
102 A A 0.0000
103 R A -1.4108
104 F A 0.0000
105 S A -1.8861
106 C A 0.0000
107 R A -2.1161
108 C A 0.0000
109 P A -1.3531
110 R A -2.5756
111 G A -1.5774
112 F A -1.4714
113 R A -2.2432
114 G A -1.8722
115 P A -2.0323
116 D A -2.9164
117 C A 0.0000
118 S A -2.5410
119 L A 0.0000
120 P A -1.6693
121 D A -2.1081
122 P A -1.1418
123 C A 0.5503
124 L A 1.9354
125 S A 0.8340
126 S A 0.3280
127 P A -0.3795
128 C A -0.7205
129 A A -0.3972
130 H A 0.0000
131 G A -0.7200
132 A A -0.8281
133 R A -1.1399
134 C A 0.9602
135 S A 1.5788
136 V A 2.4152
137 G A 0.7554
138 P A -0.8094
139 D A -2.0891
140 G A -0.6292
141 R A 0.0000
142 F A 3.0009
143 L A 2.6207
144 C A 0.8606
145 S A -0.1067
146 C A -0.4369
147 P A -0.7245
148 P A 0.0000
149 G A -0.9640
150 Y A -0.2940
151 Q A -1.0164
152 G A -1.3241
153 R A -2.3125
154 S A -1.1816
155 C A -0.7863
156 R A -1.6153
157 S A -1.5551
158 D A -2.3643
159 V A -1.8619
160 D A -2.2328
161 E A -1.2429
162 C A 0.0000
163 R A -1.1883
164 V A -0.3261
165 G A -1.0265
166 E A -1.3323
167 P A -1.4042
168 C A -1.7934
169 R A -2.8291
170 H A -2.2383
171 G A -1.4394
172 G A -0.9479
173 T A 0.0000
174 C A 0.2896
175 L A 1.0114
176 N A -0.1170
177 T A -0.2561
178 P A -0.8269
179 G A -0.8953
180 S A 0.1313
181 F A 0.5763
182 R A -0.6805
183 C A -0.0685
184 Q A -0.2642
185 C A 0.2664
186 P A 0.2108
187 A A 0.3529
188 G A 0.3946
189 Y A 0.6719
190 T A 0.0000
191 G A 0.0000
192 P A -0.1033
193 L A 0.2046
194 C A 0.0000
195 E A -1.3411
196 N A 0.0000
197 P A -0.5638
198 A A 0.0396
199 V A 0.4391
200 P A 0.2841
201 C A 0.4340
202 A A -0.1989
203 P A -0.6997
204 S A -1.1749
205 P A -1.6680
206 C A 0.0000
207 R A -3.0613
208 N A -2.3052
209 G A -1.7267
210 G A -1.1856
211 T A -0.7429
212 C A -0.8649
213 R A -2.3500
214 Q A -2.2357
215 S A -1.6542
216 G A -1.5779
217 D A -1.5677
218 L A -0.0266
219 T A -0.6600
220 Y A -0.4912
221 D A -1.6057
222 C A -1.4534
223 A A -0.7702
224 C A 0.0357
225 L A 0.8221
226 P A -0.2857
227 G A -0.2849
228 F A -0.1677
229 E A -1.8470
230 G A -1.8449
231 Q A -2.2192
232 N A -2.3928
233 C A 0.0000
234 E A -1.7578
235 V A -1.1121
236 N A -1.4078
237 V A -1.0391
238 D A -2.2795
239 D A -2.0332
240 C A -0.3749
241 P A -0.1456
242 G A -0.6662
243 H A -0.8552
244 R A -1.9913
245 C A 0.0000
246 L A 0.1161
247 N A -1.3379
248 G A -1.2420
249 G A -1.4536
250 T A 0.0000
251 C A -0.0810
252 V A 0.5582
253 D A -1.2135
254 G A -0.3458
255 V A -0.3839
256 N A -1.2972
257 T A 0.0181
258 Y A 0.4079
259 N A 0.1448
260 C A 0.0893
261 Q A -0.7014
262 C A -0.8109
263 P A -0.2833
264 P A -0.4229
265 E A -0.3758
266 W A 0.1982
267 T A 0.0000
268 G A 0.0000
269 Q A 1.0049
270 F A 1.5951
271 C A 0.0000
272 T A 0.0360
273 E A 0.0000
274 D A 0.0000
275 V A 0.0000
276 D A 0.0000
277 E A 0.0000
278 C A 0.0000
279 Q A -0.8200
280 L A 0.7048
281 Q A -0.6347
282 P A -0.7728
283 N A -1.0715
284 A A -0.9423
285 C A -0.4477
286 H A -0.7675
287 N A 0.0000
288 G A 0.0000
289 G A -0.6385
290 T A 0.0000
291 C A -0.2970
292 F A -0.5002
293 N A 0.0000
294 T A -0.1821
295 L A 1.0282
296 G A 0.2422
297 G A -0.2891
298 H A -0.7568
299 S A -0.3888
300 C A -0.3343
301 V A 0.0465
302 C A 0.0000
303 V A 0.0000
304 N A 0.0000
305 G A 0.0000
306 W A -0.0390
307 T A 0.0000
308 G A -0.9835
309 E A -1.9091
310 S A -1.2677
311 C A 0.0000
312 S A -1.0515
313 Q A -1.1914
314 N A -1.2318
315 I A -0.9616
316 D A -1.9388
317 D A -1.1284
318 C A -0.0504
319 A A 0.5172
320 T A 0.4468
321 A A 0.8228
322 V A 1.2545
323 C A 0.4233
324 F A 0.4486
325 H A -0.0796
326 G A -0.2640
327 A A 0.0302
328 T A -0.0772
329 C A 0.1313
330 H A -0.6165
331 D A -0.9101
332 R A 0.0000
333 V A -0.5564
334 A A 0.0000
335 S A -0.3281
336 F A 0.0773
337 Y A 0.4227
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A 0.0000
342 M A -0.2983
343 G A 0.0000
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 1.2156
348 L A 1.2919
349 C A 1.4480
350 H A 0.0000
351 L A 0.4260
352 D A -0.7531
353 D A -0.4824
354 A A -0.3510
355 C A 0.0000
356 V A -0.0749
357 S A -0.2101
358 N A 0.0000
359 P A -0.6129
360 C A 0.0000
361 H A 0.0000
362 E A -2.3505
363 D A -1.8911
364 A A 0.0000
365 I A 0.2469
366 C A -0.1493
367 D A -0.4793
368 T A 0.0000
369 N A 0.1890
370 P A 0.0000
371 V A 1.2322
372 N A 0.0000
373 G A -0.1483
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A 0.0000
378 T A -0.0410
379 C A 0.0000
380 P A 0.0000
381 P A -0.5128
382 G A -1.1127
383 F A 0.0000
384 T A -1.1437
385 G A -0.7263
386 G A 0.0000
387 A A -0.7286
388 C A 0.0000
389 D A -1.9830
390 Q A -1.8454
391 D A -1.7169
392 V A -0.6367
393 D A -1.7397
394 E A -2.0160
395 C A -0.3342
396 S A 0.2575
397 I A 1.4579
398 G A -0.0272
399 A A -0.2799
400 N A -1.8392
401 P A -2.1795
402 C A 0.0000
403 E A -1.9078
404 H A -1.3306
405 L A -1.0947
406 G A -1.5755
407 R A -1.8700
408 C A -0.2217
409 V A 0.6609
410 N A 0.1836
411 T A -0.3582
412 Q A -0.9010
413 G A -0.5053
414 S A 0.1699
415 F A 0.9576
416 L A 0.5974
417 C A 0.0000
418 Q A -1.5311
419 C A 0.0000
420 G A 0.0000
421 R A -1.9680
422 G A -1.0643
423 Y A -1.2690
424 T A 0.0000
425 G A 0.0000
426 P A -2.2631
427 R A -2.9377
428 C A 0.0000
429 E A -2.5025
430 T A -1.2814
431 D A -0.7735
432 V A -0.1719
433 N A -0.7472
434 E A -0.2993
435 C A 0.1130
436 L A 0.5952
437 S A 0.0000
438 G A 0.1875
439 P A 0.1366
440 C A 0.0000
441 R A -0.8385
442 N A -1.4210
443 Q A -1.1116
444 A A -0.4539
445 T A 0.0000
446 C A 0.2210
447 L A 0.0000
448 D A -0.5714
449 R A -1.0495
450 I A 0.7266
451 G A -0.1437
452 Q A -0.6845
453 F A 0.8426
454 T A 0.3293
455 C A 0.6563
456 I A 0.6145
457 C A 0.0000
458 M A 0.0000
459 A A -0.0073
460 G A 0.0000
461 F A 0.0000
462 T A 0.0000
463 G A 0.0000
464 T A 0.6959
465 Y A 0.0000
466 C A 0.0000
467 E A 0.0000
468 V A 0.7607
469 D A 0.0000
470 I A 0.6812
471 D A 0.0000
472 E A -0.9486
473 C A 0.0000
474 Q A 0.0000
475 S A -0.2033
476 S A -0.4349
477 P A 0.3378
478 C A 0.5935
479 V A 0.2617
480 N A -1.1546
481 G A -0.9187
482 G A -0.9514
483 V A 0.0000
484 C A -1.0069
485 K A -2.2350
486 D A -1.9120
487 R A -1.6810
488 V A 0.5687
489 N A 0.0000
490 G A 0.0000
491 F A -0.7180
492 S A -1.1232
493 C A 0.0000
494 T A -0.0708
495 C A 0.5146
496 P A 0.0316
497 S A -0.2976
498 G A 0.1054
499 F A 1.4755
500 S A 0.5267
501 G A -0.4570
502 S A -0.7059
503 T A 0.0000
504 C A 0.0000
505 Q A 0.4571
506 L A 0.5958
507 D A -1.5119
508 V A -1.5226
509 D A -2.2773
510 E A -2.0118
511 C A 0.0000
512 A A -0.3986
513 S A -0.7342
514 T A -0.4731
515 P A -0.5077
516 C A -0.5851
517 R A -1.7350
518 N A -1.5526
519 G A -1.2431
520 A A -1.3295
521 K A -2.1064
522 C A -1.0238
523 V A -0.8248
524 D A -1.5786
525 Q A -2.0693
526 P A -2.0446
527 D A -2.6893
528 G A -1.5745
529 Y A -0.7735
530 E A -1.6064
531 C A -1.0186
532 R A -1.4568
533 C A -1.4469
534 A A -1.1019
535 E A -1.9314
536 G A -1.0583
537 F A 0.2050
538 E A -0.6148
539 G A -0.7035
540 T A -0.3024
541 L A 0.0622
542 C A 0.0000
543 D A 0.0000
544 R A -1.6621
545 N A -0.9639
546 V A -0.2648
547 D A -2.1289
548 D A -2.3929
549 C A -0.8855
550 S A -0.8983
551 P A -1.2025
552 D A -1.6347
553 P A -1.0733
554 C A -1.4141
555 H A -2.0144
556 H A -1.5776
557 G A -1.5495
558 R A -1.5142
559 C A -0.0141
560 V A 0.9454
561 D A -0.7532
562 G A 0.1746
563 I A 1.5402
564 A A 0.5928
565 S A 0.1814
566 F A 0.1779
567 S A -0.3844
568 C A 0.0000
569 A A -0.8366
570 C A -1.1769
571 A A -0.7186
572 P A -0.1019
573 G A -0.6565
574 Y A -0.3682
575 T A -1.1519
576 G A -1.1103
577 T A -1.4879
578 R A -2.7920
579 C A 0.0000
580 E A -2.5669
581 S A -1.7458
582 Q A -1.4650
583 V A -0.5013
584 D A -2.2392
585 E A -3.0748
586 C A 0.0000
587 R A -2.7694
588 S A -1.9454
589 Q A -2.5191
590 P A -1.7925
591 C A -2.0455
592 R A -2.4473
593 H A -2.2308
594 G A -1.7976
595 G A -1.9163
596 K A -2.5497
597 C A 0.0000
598 L A 0.8476
599 D A -0.5089
600 L A 0.6694
601 V A 0.5185
602 D A -1.8991
603 K A -1.6414
604 Y A -0.2560
605 L A 0.7651
606 C A 0.0911
607 R A -1.8876
608 C A 0.0000
609 P A -1.2805
610 S A -0.8426
611 G A -0.5142
612 T A 0.3033
613 T A 0.5117
614 G A 0.2960
615 V A 1.3227
616 N A 0.2026
617 C A 0.0000
618 E A 0.0000
619 V A 1.4728
620 N A 0.4495
621 I A 1.4080
622 D A -0.4491
623 D A 0.0000
624 C A -0.8781
625 A A -0.5932
626 S A -0.4149
627 N A -0.1582
628 P A -0.0228
629 C A 0.6925
630 T A 1.0557
631 F A 2.0787
632 G A 1.5668
633 V A 1.0933
634 C A -0.0921
635 R A -2.2715
636 D A -2.5602
637 G A -1.6513
638 I A -0.3903
639 N A -1.6582
640 R A -2.3239
641 Y A -0.8423
642 D A -0.5751
643 C A 0.0000
644 V A 1.5006
645 C A 1.3105
646 Q A 0.7898
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1974 T A 0.0000
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1977 F A 0.0000
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1982 E A -3.2274
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1991 L A 0.0000
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1994 H A -1.2763
1995 F A -0.5409
1996 A A -0.7630
1997 N A 0.0000
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2002 D A -0.4129
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2011 V A -1.9440
2012 A A 0.0000
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2014 E A -2.7344
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2016 L A -1.0385
2017 H A -1.9264
2018 Q A -1.7315
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2268 E A -0.9365
2269 S A -0.8024
2270 T A -0.1721
2271 P A -0.0140
2272 S A 0.3514
2273 P A 0.1348
2274 A A 0.0903
2275 T A 0.2531
2276 A A 0.1694
2277 T A 0.2518
2278 G A -0.0200
2279 A A 0.6451
2280 M A 0.8571
2281 A A 0.8280
2282 T A 0.5729
2283 T A 0.1570
2284 T A -0.1263
2285 G A -0.0420
2286 A A 0.0759
2287 L A 0.0000
2288 P A -0.1434
2289 A A 0.0184
2290 Q A 0.0000
2291 P A 0.8260
2292 L A 1.8444
2293 P A 1.4485
2294 L A 1.7486
2295 S A 0.5421
2296 V A 0.0000
2297 P A 0.0000
2298 S A 0.1598
2299 S A 0.3798
2300 L A 1.2922
2301 A A 0.5068
2302 Q A 0.1652
2303 A A 0.0000
2304 Q A 0.0000
2305 T A 0.0815
2306 Q A -0.3023
2307 L A 0.0000
2308 G A 0.0000
2309 P A -1.2212
2310 Q A 0.0000
2311 P A -1.1813
2312 E A -2.1478
2313 V A -1.2143
2314 T A -0.7095
2315 P A -2.0365
2316 K A -2.7421
2317 R A -3.3037
2318 Q A -2.2278
2319 V A -0.2559
2320 L A 1.1422
2321 A A 0.7278
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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, -0.4876 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_9 -0.4876 View CSV PDB
model_7 -0.5085 View CSV PDB
model_10 -0.5305 View CSV PDB
model_0 -0.5441 View CSV PDB
model_6 -0.5462 View CSV PDB
model_5 -0.5462 View CSV PDB
model_4 -0.5462 View CSV PDB
CABS_average -0.5499 View CSV PDB
model_3 -0.55 View CSV PDB
model_2 -0.561 View CSV PDB
model_1 -0.5672 View CSV PDB
model_8 -0.5905 View CSV PDB
model_11 -0.6211 View CSV PDB
input -0.752 View CSV PDB