Project name: P590S_5_4D

Status: done

Started: 2026-05-21 00:22:39
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQSCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:32:53)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (19:24:17)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (19:25:19)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (19:26:17)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (19:27:29)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (19:28:35)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (19:29:47)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (19:31:01)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (19:32:14)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (19:33:29)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (19:34:45)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (19:35:56)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (19:37:08)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (19:38:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (19:40:31)
[INFO]       Main:     Simulation completed successfully.                                          (19:41:44)
Show buried residues

Minimal score value
-2.5252
Maximal score value
2.6039
Average score
-0.2145
Total score value
-497.8799

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 0.7991
2 G A -0.0482
3 P A -0.3656
4 G A -0.5117
5 A A -0.3119
6 R A -1.5579
7 G A -0.8413
8 R A -0.8413
9 R A -1.9204
10 R A 0.0000
11 R A -1.9102
12 R A -0.9044
13 R A -1.9013
14 P A -0.2637
15 M A 0.9907
16 S A -0.0338
17 P A -0.2572
18 P A -0.5105
19 P A 0.0000
20 P A -0.2549
21 P A 0.0000
22 P A -0.2298
23 P A 0.0000
24 V A 0.0000
25 R A -1.8365
26 A A -0.0181
27 L A 1.5059
28 P A 0.3280
29 L A 1.6783
30 L A 1.4388
31 L A 1.4288
32 L A 1.2741
33 L A 1.0982
34 A A 0.1428
35 G A -0.4770
36 P A -0.1932
37 G A -0.0917
38 A A -0.0014
39 A A 0.0189
40 A A 0.0120
41 P A 0.0000
42 P A 0.0000
43 C A 0.0000
44 L A 0.4912
45 D A -1.7232
46 G A -0.8515
47 S A -0.2051
48 P A 0.0000
49 C A 0.0000
50 A A -0.0137
51 N A -0.4665
52 G A -0.5911
53 G A -0.7030
54 R A -1.8929
55 C A 0.0000
56 T A -0.0240
57 Q A 0.0000
58 L A 0.0000
59 P A -0.1554
60 S A -0.5924
61 R A -2.0501
62 E A -1.2033
63 A A 0.0000
64 A A 0.0122
65 C A 0.0000
66 L A 0.8326
67 C A 0.0000
68 P A -0.1415
69 P A -0.2720
70 G A 0.0000
71 W A 0.4266
72 V A 0.0000
73 G A -0.2339
74 E A -1.2143
75 R A -1.8949
76 C A -0.4234
77 Q A -1.1733
78 L A 0.0000
79 E A -1.8178
80 D A -0.8609
81 P A -0.2635
82 C A -0.0894
83 H A -0.9762
84 S A -0.3135
85 G A -0.3682
86 P A -0.2792
87 C A 0.1496
88 A A 0.0049
89 G A -0.8141
90 R A -1.9330
91 G A 0.0000
92 V A 0.1988
93 C A 0.0000
94 Q A -0.6065
95 S A 0.0000
96 S A -0.0765
97 V A 0.2751
98 V A 0.5476
99 A A 0.0453
100 G A -0.4745
101 T A -0.1484
102 A A -0.3230
103 R A -1.5839
104 F A 0.9719
105 S A 0.1009
106 C A -0.0703
107 R A -1.2362
108 C A -0.2400
109 P A -0.1595
110 R A -0.8276
111 G A -0.0788
112 F A 1.0851
113 R A 0.0000
114 G A -0.2152
115 P A -0.3068
116 D A -1.3342
117 C A -0.0533
118 S A 0.0000
119 L A 0.6542
120 P A -0.1441
121 D A 0.0000
122 P A -0.0337
123 C A 0.0000
124 L A 0.1255
125 S A -0.2003
126 S A -0.1874
127 P A -0.2585
128 C A 0.0649
129 A A -0.0334
130 H A -0.3837
131 G A -0.1845
132 A A 0.0000
133 R A 0.0000
134 C A 0.0000
135 S A 0.0000
136 V A 0.0000
137 G A -0.6873
138 P A -0.7598
139 D A -2.0970
140 G A -1.1457
141 R A -1.8198
142 F A 1.7778
143 L A 1.4428
144 C A 0.6701
145 S A 0.0703
146 C A 0.0000
147 P A -0.0685
148 P A -0.1149
149 G A -0.0995
150 Y A 0.4675
151 Q A -1.1306
152 G A -1.0364
153 R A -1.9703
154 S A -0.5453
155 C A 0.1281
156 R A -0.2018
157 S A -0.3343
158 D A -0.1002
159 V A 1.5906
160 D A -0.5029
161 E A -1.8802
162 C A -0.5446
163 R A -1.6444
164 V A 0.4688
165 G A -0.6345
166 E A -1.9562
167 P A -0.5607
168 C A -0.0630
169 R A -1.2307
170 H A -0.3839
171 G A -0.1603
172 G A -0.4843
173 T A -0.0919
174 C A 0.4094
175 L A 0.6839
176 N A -0.3691
177 T A -0.1350
178 P A -0.1601
179 G A -0.4843
180 S A 0.0213
181 F A 0.5227
182 R A -1.6335
183 C A -0.1459
184 Q A -0.0172
185 C A 0.5854
186 P A 0.0000
187 A A 0.0131
188 G A -0.2053
189 Y A 0.1026
190 T A 0.0289
191 G A 0.0000
192 P A 0.0266
193 L A 1.4527
194 C A 0.6870
195 E A -1.7624
196 N A -1.6333
197 P A -0.3199
198 A A 0.0000
199 V A 0.0000
200 P A 0.0690
201 C A 0.4945
202 A A 0.0000
203 P A -0.1119
204 S A 0.0000
205 P A -0.1629
206 C A 0.3053
207 R A -0.8679
208 N A -1.4862
209 G A -0.7895
210 G A -0.2394
211 T A -0.0607
212 C A 0.0000
213 R A -1.9534
214 Q A -0.4991
215 S A -0.3286
216 G A -0.8462
217 D A -1.5904
218 L A 1.2059
219 T A 0.3083
220 Y A 0.0243
221 D A -1.7204
222 C A 0.0000
223 A A 0.0431
224 C A 0.1857
225 L A 0.3138
226 P A -0.2510
227 G A -0.2805
228 F A 0.0181
229 E A -1.7666
230 G A -0.7471
231 Q A -1.4812
232 N A -1.4889
233 C A -0.5149
234 E A -1.8031
235 V A 0.0000
236 N A -1.1966
237 V A -0.1536
238 D A -1.6966
239 D A -1.0082
240 C A -0.0922
241 P A -0.2519
242 G A -0.1966
243 H A -0.4953
244 R A 0.0000
245 C A 0.2432
246 L A 0.7863
247 N A -0.1798
248 G A -0.5234
249 G A -0.1575
250 T A -0.0499
251 C A 0.3121
252 V A 0.4935
253 D A -1.6830
254 G A -0.2879
255 V A 1.5408
256 N A -0.6217
257 T A 0.0770
258 Y A 1.0169
259 N A -0.3428
260 C A 0.0000
261 Q A -1.1983
262 C A 0.0000
263 P A -0.3451
264 P A -0.1520
265 E A -0.1783
266 W A 0.1965
267 T A 0.0000
268 G A -0.5321
269 Q A 0.1646
270 F A 1.9324
271 C A 0.4319
272 T A -0.0410
273 E A 0.0000
274 D A -1.4447
275 V A 0.9040
276 D A -0.3195
277 E A -0.4313
278 C A 0.0000
279 Q A -0.9760
280 L A 1.2070
281 Q A -0.4996
282 P A -0.3749
283 N A 0.0000
284 A A -0.0508
285 C A 0.0000
286 H A -0.8299
287 N A -1.3993
288 G A -0.3077
289 G A 0.0000
290 T A 0.0000
291 C A 0.0000
292 F A 0.3533
293 N A 0.0000
294 T A 0.2810
295 L A 1.5461
296 G A 0.0000
297 G A 0.0000
298 H A -0.1054
299 S A 0.0000
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A 0.3382
304 N A 0.0000
305 G A -0.0331
306 W A 0.1008
307 T A -0.0576
308 G A -0.3880
309 E A -1.0301
310 S A -0.2608
311 C A 0.2074
312 S A -0.2824
313 Q A -1.2492
314 N A -1.3205
315 I A 0.2545
316 D A -1.0556
317 D A 0.0000
318 C A 0.1803
319 A A 0.0832
320 T A -0.0284
321 A A 0.0000
322 V A 0.2279
323 C A 0.4428
324 F A 1.3680
325 H A 0.0000
326 G A -0.4663
327 A A 0.0000
328 T A 0.0000
329 C A 0.2437
330 H A 0.0000
331 D A -0.7783
332 R A -0.1731
333 V A 1.7078
334 A A 0.3247
335 S A -0.0753
336 F A 0.0000
337 Y A 0.1407
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A 0.0000
342 M A 0.5212
343 G A -0.0340
344 K A 0.0000
345 T A 0.0000
346 G A 0.0000
347 L A 0.1999
348 L A 0.2339
349 C A 0.0000
350 H A 0.0000
351 L A 0.0000
352 D A -1.2487
353 D A -0.4545
354 A A -0.0045
355 C A 0.0000
356 V A 0.3294
357 S A -0.3901
358 N A -1.3655
359 P A -0.4822
360 C A -0.0941
361 H A -1.3083
362 E A -2.3522
363 D A -2.1386
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 -0.4263
373 G A -0.8766
374 R A -1.9207
375 A A -0.1720
376 I A 0.5967
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A -0.1482
381 P A -0.1060
382 G A -0.0484
383 F A 0.4400
384 T A 0.0000
385 G A -0.2720
386 G A -0.2076
387 A A -0.0146
388 C A 0.0000
389 D A -1.8868
390 Q A -1.1849
391 D A -1.8465
392 V A -0.4735
393 D A -1.8299
394 E A -0.6979
395 C A 0.1910
396 S A 0.1206
397 I A 0.6391
398 G A -0.3213
399 A A -0.0931
400 N A -0.3870
401 P A -0.1797
402 C A 0.5659
403 E A -0.5767
404 H A -0.5885
405 L A 0.7704
406 G A -0.4519
407 R A -1.7170
408 C A -0.0082
409 V A 1.0085
410 N A 0.0129
411 T A -0.1302
412 Q A -0.2927
413 G A -0.5305
414 S A -0.2345
415 F A 0.0000
416 L A 0.4035
417 C A 0.0000
418 Q A -0.4953
419 C A -0.1053
420 G A -0.7071
421 R A -1.4869
422 G A -0.5377
423 Y A 0.8249
424 T A 0.0784
425 G A -0.3600
426 P A -0.4550
427 R A -1.7287
428 C A -0.4433
429 E A -1.7735
430 T A 0.0000
431 D A -0.3333
432 V A 0.0000
433 N A -1.0799
434 E A -0.3336
435 C A 0.9725
436 L A 1.6565
437 S A 0.0466
438 G A -0.4958
439 P A 0.0000
440 C A -0.2408
441 R A -2.0547
442 N A -1.8313
443 Q A -1.4331
444 A A -0.2168
445 T A 0.1116
446 C A 0.5023
447 L A 1.2192
448 D A -1.2876
449 R A -1.6713
450 I A 1.6551
451 G A -0.0928
452 Q A -1.1645
453 F A -0.1443
454 T A 0.0194
455 C A 0.0000
456 I A 0.8648
457 C A 0.0000
458 M A 1.0572
459 A A 0.1297
460 G A -0.2170
461 F A 1.8425
462 T A 0.2554
463 G A -0.4831
464 T A 0.1004
465 Y A 1.3182
466 C A 0.0155
467 E A -1.5764
468 V A -0.0834
469 D A -0.8695
470 I A -0.0107
471 D A -1.3019
472 E A -1.0123
473 C A 0.0000
474 Q A -1.2390
475 S A -0.4420
476 S A 0.0000
477 P A -0.1663
478 C A 0.0000
479 V A 1.5654
480 N A -0.8413
481 G A -0.7649
482 G A -0.4244
483 V A 0.6172
484 C A -0.0985
485 K A -1.8370
486 D A -1.4591
487 R A -1.6587
488 V A 1.1869
489 N A -0.9385
490 G A 0.0000
491 F A 1.9103
492 S A 0.2326
493 C A 0.0770
494 T A -0.0272
495 C A 0.0964
496 P A -0.0583
497 S A -0.2302
498 G A 0.0440
499 F A 1.8717
500 S A 0.1285
501 G A -0.4261
502 S A -0.2837
503 T A -0.0651
504 C A 0.0000
505 Q A -0.7876
506 L A 0.0537
507 D A -1.6592
508 V A -0.2601
509 D A -1.7915
510 E A -0.7573
511 C A 0.0216
512 A A 0.0400
513 S A -0.1927
514 T A -0.0948
515 P A -0.2386
516 C A -0.2962
517 R A -1.8932
518 N A -0.7937
519 G A -0.5234
520 A A -0.4040
521 K A -1.6528
522 C A -0.0457
523 V A 0.1457
524 D A -0.3965
525 Q A -1.0901
526 P A -0.6949
527 D A -1.8446
528 G A -0.3411
529 Y A 1.0438
530 E A -0.7666
531 C A -0.2224
532 R A -1.7671
533 C A -0.2021
534 A A -0.0480
535 E A -0.7106
536 G A -0.1289
537 F A -0.1122
538 E A -1.6409
539 G A -0.6018
540 T A 0.1353
541 L A 1.5195
542 C A 0.2580
543 D A -1.5068
544 R A -1.4656
545 N A -0.2491
546 V A 1.6405
547 D A -0.3237
548 D A -1.7963
549 C A -0.0689
550 S A -0.2016
551 P A -0.5351
552 D A -1.5490
553 P A -0.5202
554 C A -0.3788
555 H A -1.1043
556 H A -0.9317
557 G A -0.7975
558 R A -1.7853
559 C A 0.4777
560 V A 0.7426
561 D A -1.4482
562 G A -0.3421
563 I A 0.2224
564 A A 0.0690
565 S A -0.1159
566 F A 0.4291
567 S A 0.1270
568 C A 0.2443
569 A A -0.1334
570 C A 0.4328
571 A A 0.0874
572 P A -0.3317
573 G A -0.4787
574 Y A 0.0834
575 T A -0.0833
576 G A -0.4687
577 T A -0.4961
578 R A -1.8338
579 C A -0.5499
580 E A -1.3945
581 S A -0.5572
582 Q A -0.8693
583 V A 1.4163
584 D A -0.5101
585 E A -1.2932
586 C A 0.0000
587 R A -2.0152
588 S A -0.7499
589 Q A -1.2752
590 S A -0.5732
591 C A -0.1520
592 R A -1.4983
593 H A -0.9112
594 G A -0.3005
595 G A -0.4572
596 K A -1.5437
597 C A -0.1031
598 L A 0.5949
599 D A 0.0000
600 L A 1.8106
601 V A 1.3538
602 D A -1.8549
603 K A -1.9514
604 Y A 0.3173
605 L A 0.7869
606 C A 0.0000
607 R A -1.9142
608 C A 0.0000
609 P A -0.1351
610 S A -0.3198
611 G A -0.5094
612 T A -0.1042
613 T A -0.1000
614 G A -0.4082
615 V A 1.5418
616 N A -0.3798
617 C A 0.1380
618 E A 0.1742
619 V A 1.6851
620 N A 0.4114
621 I A 1.4766
622 D A -0.5320
623 D A -0.6799
624 C A 0.3756
625 A A 0.0660
626 S A -0.4520
627 N A -1.3233
628 P A -0.2121
629 C A 0.3892
630 T A 0.1286
631 F A 0.5338
632 G A -0.0684
633 V A 1.4152
634 C A 0.3202
635 R A -1.2249
636 D A -0.9756
637 G A 0.0000
638 I A 0.0000
639 N A -1.6252
640 R A -1.8949
641 Y A 0.6355
642 D A 0.0000
643 C A 0.0000
644 V A 0.4000
645 C A 0.1366
646 Q A -0.6088
647 P A -0.3837
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1994 H A -0.8831
1995 F A 0.2814
1996 A A 0.0000
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2283 T A 0.0000
2284 T A 0.0000
2285 G A 0.0000
2286 A A 0.0969
2287 L A 0.3803
2288 P A -0.1730
2289 A A 0.0144
2290 Q A 0.0000
2291 P A 0.0000
2292 L A 0.0000
2293 P A 0.0000
2294 L A 0.0000
2295 S A 0.0000
2296 V A 1.2230
2297 P A 0.0968
2298 S A -0.0771
2299 S A 0.2473
2300 L A 1.4488
2301 A A 0.0816
2302 Q A -1.1840
2303 A A -0.2150
2304 Q A -0.2524
2305 T A -0.2413
2306 Q A -0.0927
2307 L A 1.4413
2308 G A 0.0038
2309 P A -0.3869
2310 Q A -0.4502
2311 P A -0.2233
2312 E A -0.1731
2313 V A 1.6617
2314 T A 0.2398
2315 P A -0.4168
2316 K A -2.0609
2317 R A -2.3929
2318 Q A -1.2042
2319 V A 1.7057
2320 L A 1.1519
2321 A A 0.1595
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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, -0.2145 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 -0.2145 View CSV PDB
model_1 -0.2237 View CSV PDB
model_2 -0.2246 View CSV PDB
model_3 -0.2279 View CSV PDB
model_5 -0.2281 View CSV PDB
CABS_average -0.2308 View CSV PDB
model_10 -0.232 View CSV PDB
model_7 -0.2323 View CSV PDB
model_4 -0.2326 View CSV PDB
model_8 -0.2338 View CSV PDB
model_9 -0.236 View CSV PDB
model_6 -0.2379 View CSV PDB
model_11 -0.2462 View CSV PDB
input -0.2805 View CSV PDB