Project name: Y465C_5_4D

Status: done

Started: 2026-06-12 07:01:30
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTCCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:29:36)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:02:26)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:03:13)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:03:58)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:04:42)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:05:25)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:06:08)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:06:52)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:07:35)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:08:19)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:09:02)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:09:45)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:10:29)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:11:12)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:12:37)
[INFO]       Main:     Simulation completed successfully.                                          (14:13:20)
Show buried residues

Minimal score value
-2.5186
Maximal score value
2.5334
Average score
-0.2006
Total score value
-465.4816

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 0.9649
2 G A -0.3139
3 P A -0.3512
4 G A -0.1122
5 A A -0.1447
6 R A -0.7978
7 G A -0.4120
8 R A -1.1633
9 R A -0.4525
10 R A -0.2263
11 R A 0.0000
12 R A -2.0336
13 R A -1.3775
14 P A -0.2548
15 M A 0.9795
16 S A 0.0074
17 P A -0.2117
18 P A -0.1594
19 P A -0.0727
20 P A -0.1493
21 P A -0.2694
22 P A -0.3430
23 P A 0.0402
24 V A 1.3743
25 R A -1.4997
26 A A -0.2360
27 L A 0.4473
28 P A 0.0900
29 L A 0.7864
30 L A 1.7734
31 L A 1.2429
32 L A 1.6405
33 L A 1.2861
34 A A 0.0000
35 G A 0.0000
36 P A -0.3425
37 G A -0.5032
38 A A -0.0179
39 A A 0.0733
40 A A -0.0001
41 P A -0.1656
42 P A 0.0093
43 C A 0.2355
44 L A 0.3590
45 D A -1.7432
46 G A -0.8408
47 S A -0.1048
48 P A -0.2228
49 C A 0.1391
50 A A 0.0575
51 N A -0.2388
52 G A -0.3182
53 G A -0.3405
54 R A 0.0000
55 C A 0.1758
56 T A -0.1117
57 Q A -0.0614
58 L A 1.4580
59 P A 0.0763
60 S A -0.1934
61 R A -1.1351
62 E A -1.9627
63 A A -0.3914
64 A A 0.1502
65 C A 0.7897
66 L A 1.5183
67 C A 0.0000
68 P A 0.0000
69 P A -0.2935
70 G A -0.4343
71 W A 0.0441
72 V A 0.0000
73 G A -0.7402
74 E A -1.9130
75 R A -2.0996
76 C A -0.2157
77 Q A -0.0024
78 L A 0.2138
79 E A -1.7209
80 D A -0.7306
81 P A -0.1079
82 C A 0.0000
83 H A -1.0314
84 S A -0.4516
85 G A -0.3334
86 P A -0.2758
87 C A 0.1055
88 A A -0.0024
89 G A -0.8052
90 R A -1.9783
91 G A -0.2518
92 V A 1.7574
93 C A 0.3206
94 Q A -0.8819
95 S A 0.0000
96 S A -0.1907
97 V A 0.0000
98 V A 1.2910
99 A A 0.1925
100 G A -0.4719
101 T A -0.1550
102 A A -0.3124
103 R A -1.5157
104 F A 0.5031
105 S A 0.0000
106 C A 0.0000
107 R A -1.8703
108 C A 0.0000
109 P A -0.5914
110 R A -1.9513
111 G A -0.7669
112 F A -0.1563
113 R A -0.3658
114 G A -0.3880
115 P A -0.6968
116 D A -1.7802
117 C A -0.1447
118 S A 0.1068
119 L A 0.2449
120 P A -0.0611
121 D A -0.2756
122 P A -0.1869
123 C A 0.5397
124 L A 1.5613
125 S A 0.0378
126 S A -0.2723
127 P A -0.1115
128 C A 0.1396
129 A A -0.0515
130 H A -0.8156
131 G A -0.6042
132 A A -0.5202
133 R A -1.7289
134 C A 0.2508
135 S A 0.0843
136 V A 0.3727
137 G A -0.1402
138 P A -0.6280
139 D A -1.8216
140 G A -0.9753
141 R A -1.8576
142 F A 0.1509
143 L A 1.6314
144 C A 0.5843
145 S A -0.0130
146 C A 0.0000
147 P A -0.2848
148 P A -0.2530
149 G A -0.0589
150 Y A 1.1335
151 Q A -0.5057
152 G A -0.6473
153 R A -1.8718
154 S A -0.4963
155 C A -0.1209
156 R A -1.0967
157 S A -0.3374
158 D A -0.4076
159 V A -0.1829
160 D A -1.8946
161 E A -1.1223
162 C A 0.0000
163 R A -0.3233
164 V A 1.5545
165 G A -0.4795
166 E A -1.9196
167 P A -0.3500
168 C A -0.1154
169 R A -1.9371
170 H A -1.1894
171 G A -0.6525
172 G A -0.2963
173 T A -0.0463
174 C A 0.2950
175 L A 0.3522
176 N A -1.0718
177 T A -0.3024
178 P A -0.2999
179 G A -0.2933
180 S A -0.0419
181 F A 0.1230
182 R A -1.6459
183 C A 0.0000
184 Q A -0.1690
185 C A 0.5431
186 P A -0.1259
187 A A -0.0805
188 G A -0.4559
189 Y A 0.0000
190 T A 0.0000
191 G A -0.0733
192 P A 0.1818
193 L A 1.5300
194 C A 0.0000
195 E A -1.8199
196 N A 0.0000
197 P A -0.2504
198 A A 0.0404
199 V A 0.2085
200 P A -0.1435
201 C A 0.1948
202 A A 0.0011
203 P A -0.2532
204 S A 0.0000
205 P A -0.2084
206 C A -0.2339
207 R A -2.0628
208 N A -1.7057
209 G A -0.7849
210 G A -0.4918
211 T A -0.1191
212 C A -0.2246
213 R A -1.9122
214 Q A -0.8818
215 S A -0.3372
216 G A -0.8495
217 D A -1.7848
218 L A 0.1315
219 T A 0.1136
220 Y A 0.1232
221 D A -0.4196
222 C A 0.0000
223 A A 0.0385
224 C A 0.2411
225 L A 0.3908
226 P A -0.1647
227 G A -0.1095
228 F A 0.9701
229 E A -1.0163
230 G A -0.8508
231 Q A -1.2138
232 N A -1.4817
233 C A 0.0000
234 E A -0.5847
235 V A 0.0000
236 N A -0.2415
237 V A -0.0257
238 D A -2.0579
239 D A -2.1026
240 C A -0.2524
241 P A -0.3142
242 G A -0.5693
243 H A -0.7371
244 R A -1.8786
245 C A 0.0641
246 L A 1.3330
247 N A -1.0142
248 G A -0.4498
249 G A -0.4401
250 T A -0.0567
251 C A 0.2541
252 V A 0.0000
253 D A 0.0000
254 G A -0.1416
255 V A 1.5268
256 N A -0.5983
257 T A -0.2007
258 Y A 0.0000
259 N A 0.0000
260 C A 0.0000
261 Q A -0.1009
262 C A 0.0587
263 P A -0.1800
264 P A -0.0538
265 E A 0.0000
266 W A 0.0000
267 T A 0.0000
268 G A 0.0000
269 Q A -0.2160
270 F A 0.1701
271 C A 0.0000
272 T A -0.0269
273 E A 0.0000
274 D A -1.5225
275 V A 0.0000
276 D A -0.2309
277 E A 0.0000
278 C A 0.0000
279 Q A -0.4359
280 L A 0.3049
281 Q A 0.0000
282 P A -0.2211
283 N A -0.1608
284 A A 0.0005
285 C A 0.0000
286 H A -0.7608
287 N A -0.5467
288 G A -0.2317
289 G A -0.2313
290 T A 0.0149
291 C A 0.2917
292 F A 0.0000
293 N A 0.0000
294 T A 0.1192
295 L A 0.7129
296 G A -0.0404
297 G A -0.2306
298 H A -0.5486
299 S A -0.1531
300 C A 0.3109
301 V A 1.1493
302 C A 0.3845
303 V A 0.8111
304 N A 0.0000
305 G A 0.1418
306 W A 1.1653
307 T A 0.1052
308 G A -0.8146
309 E A -1.9177
310 S A -0.3936
311 C A 0.0000
312 S A -0.2821
313 Q A -0.4143
314 N A 0.0000
315 I A 0.2570
316 D A -0.1870
317 D A -0.2249
318 C A 0.0000
319 A A 0.0450
320 T A -0.0598
321 A A 0.0000
322 V A 1.5034
323 C A 0.4613
324 F A 0.0359
325 H A -0.9794
326 G A -0.3300
327 A A -0.0131
328 T A -0.0073
329 C A 0.0000
330 H A 0.0000
331 D A 0.0000
332 R A -1.0691
333 V A -0.0166
334 A A 0.0531
335 S A -0.0791
336 F A 0.5671
337 Y A 0.5376
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A -0.1983
342 M A 0.0582
343 G A -0.4613
344 K A -0.3623
345 T A 0.0000
346 G A 0.0089
347 L A 0.5444
348 L A 0.5654
349 C A 0.0000
350 H A 0.0000
351 L A 0.1239
352 D A -1.1664
353 D A -0.5192
354 A A -0.0484
355 C A 0.0000
356 V A 0.7877
357 S A -0.1632
358 N A -0.6467
359 P A -0.2798
360 C A 0.0000
361 H A 0.0000
362 E A -2.0997
363 D A -1.8326
364 A A 0.0000
365 I A 2.0303
366 C A 0.2908
367 D A -0.8858
368 T A -0.1947
369 N A 0.0000
370 P A 0.0000
371 V A 0.0000
372 N A -0.2168
373 G A -0.6081
374 R A -0.6953
375 A A 0.0279
376 I A 0.5659
377 C A 0.0000
378 T A 0.0144
379 C A 0.2924
380 P A -0.0416
381 P A -0.3532
382 G A -0.6978
383 F A 0.0000
384 T A -0.1539
385 G A -0.4885
386 G A -0.5388
387 A A -0.0812
388 C A 0.0000
389 D A -1.8134
390 Q A -0.8093
391 D A -1.7619
392 V A -0.3955
393 D A -1.8297
394 E A -0.4520
395 C A 0.6468
396 S A 0.0182
397 I A 0.4572
398 G A -0.3507
399 A A -0.3250
400 N A -1.2766
401 P A -0.3052
402 C A 0.0000
403 E A -1.3980
404 H A 0.0000
405 L A 1.0671
406 G A -0.3213
407 R A -1.8434
408 C A -0.0454
409 V A 0.5025
410 N A -0.5066
411 T A -0.2390
412 Q A -0.6079
413 G A -0.2352
414 S A -0.0472
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A -0.1217
419 C A 0.0000
420 G A 0.0000
421 R A -0.7506
422 G A -0.5982
423 Y A 0.0000
424 T A -0.0618
425 G A -0.2663
426 P A -0.5482
427 R A -1.8740
428 C A 0.0000
429 E A -0.3472
430 T A 0.0000
431 D A -1.7894
432 V A 0.0000
433 N A -0.2831
434 E A -0.6749
435 C A 0.2439
436 L A 1.5516
437 S A 0.2397
438 G A 0.0000
439 P A 0.0000
440 C A 0.0000
441 R A -1.4201
442 N A -0.9699
443 Q A -1.2910
444 A A -0.1958
445 T A -0.0675
446 C A 0.0000
447 L A 1.0039
448 D A -1.1669
449 R A -1.3274
450 I A 0.7782
451 G A -0.1872
452 Q A -1.1701
453 F A 0.0655
454 T A 0.0517
455 C A 0.4503
456 I A 2.0420
457 C A 0.6571
458 M A 0.5177
459 A A 0.1180
460 G A -0.1373
461 F A 0.0000
462 T A -0.0900
463 G A -0.1812
464 T A -0.0743
465 C A 0.1245
466 C A 0.0000
467 E A -0.2672
468 V A 0.4500
469 D A 0.0000
470 I A 1.9439
471 D A -0.1105
472 E A -0.7816
473 C A 0.0000
474 Q A -1.3040
475 S A -0.4564
476 S A -0.1896
477 P A -0.2589
478 C A 0.1601
479 V A 0.4855
480 N A -0.7093
481 G A -0.6128
482 G A -0.1441
483 V A 0.0000
484 C A 0.0000
485 K A -0.6182
486 D A 0.0000
487 R A -1.2268
488 V A 1.3935
489 N A -0.3139
490 G A -0.0890
491 F A 1.1697
492 S A 0.1890
493 C A 0.1893
494 T A 0.0087
495 C A 0.0524
496 P A -0.1047
497 S A -0.2812
498 G A 0.0388
499 F A 1.8903
500 S A -0.0323
501 G A -0.5423
502 S A -0.2929
503 T A -0.0993
504 C A 0.0000
505 Q A -0.7747
506 L A 0.0844
507 D A -1.6828
508 V A 0.0000
509 D A -1.9263
510 E A -0.8156
511 C A 0.5438
512 A A 0.1378
513 S A -0.2155
514 T A -0.1340
515 P A 0.0053
516 C A 0.3474
517 R A -1.8349
518 N A -1.0966
519 G A -0.3743
520 A A -0.3301
521 K A -1.6293
522 C A 0.2817
523 V A 1.0248
524 D A -0.8118
525 Q A -1.3991
526 P A -0.9774
527 D A -1.8931
528 G A -0.5593
529 Y A 0.1302
530 E A -1.6705
531 C A -0.5256
532 R A -1.7819
533 C A -0.1396
534 A A -0.2878
535 E A -1.8754
536 G A -0.7921
537 F A -0.4420
538 E A -1.8655
539 G A -0.8237
540 T A 0.1675
541 L A 1.6775
542 C A 0.6840
543 D A -1.9972
544 R A -2.2720
545 N A -0.7368
546 V A 0.2080
547 D A -1.2723
548 D A -1.9791
549 C A 0.0000
550 S A -0.1147
551 P A -0.4220
552 D A -1.8270
553 P A -0.4091
554 C A 0.2175
555 H A -1.0752
556 H A -1.2285
557 G A -0.8004
558 R A -1.7787
559 C A 0.5172
560 V A 0.9834
561 D A -1.5647
562 G A -0.1994
563 I A 1.9690
564 A A 0.4307
565 S A -0.1942
566 F A 0.0413
567 S A 0.0130
568 C A 0.1714
569 A A -0.1268
570 C A 0.1178
571 A A 0.0099
572 P A -0.2806
573 G A 0.0343
574 Y A 1.1970
575 T A 0.0964
576 G A -0.4852
577 T A -0.3828
578 R A -1.3846
579 C A 0.0000
580 E A -0.2719
581 S A -0.2861
582 Q A -0.3053
583 V A 0.4848
584 D A -0.4960
585 E A -0.8168
586 C A 0.0000
587 R A -1.8850
588 S A -0.6982
589 Q A -0.7829
590 P A -0.3730
591 C A -0.2059
592 R A -1.4728
593 H A -1.1930
594 G A -0.6523
595 G A -0.4049
596 K A -1.3185
597 C A 0.1283
598 L A 0.7637
599 D A 0.0386
600 L A 1.4920
601 V A 1.2111
602 D A -1.4037
603 K A -1.6782
604 Y A 0.2344
605 L A 0.9101
606 C A 0.0000
607 R A -2.0282
608 C A -0.3003
609 P A -0.0852
610 S A -0.3137
611 G A -0.5093
612 T A -0.1033
613 T A -0.1128
614 G A -0.5877
615 V A 0.4105
616 N A -1.1030
617 C A -0.3250
618 E A -1.7336
619 V A -0.1657
620 N A -0.3335
621 I A 0.7855
622 D A -1.5540
623 D A 0.0000
624 C A 0.0000
625 A A 0.0183
626 S A -0.2786
627 N A -0.4945
628 P A -0.3106
629 C A 0.0619
630 T A 0.3387
631 F A 1.9019
632 G A 0.4467
633 V A 1.0387
634 C A 0.1515
635 R A -2.0802
636 D A -2.0059
637 G A -0.5845
638 I A 0.6545
639 N A -1.1604
640 R A -1.7806
641 Y A 0.7237
642 D A -1.0051
643 C A 0.0000
644 V A 0.4457
645 C A 0.0000
646 Q A -0.7665
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1991 L A 0.0000
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1994 H A -0.7668
1995 F A 0.3172
1996 A A 0.0694
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1998 R A 0.0000
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2285 G A -0.0580
2286 A A 0.0000
2287 L A 1.2956
2288 P A 0.0628
2289 A A 0.0192
2290 Q A 0.0000
2291 P A -0.1119
2292 L A 0.0000
2293 P A -0.1626
2294 L A 0.2512
2295 S A 0.3228
2296 V A 1.7056
2297 P A 0.0555
2298 S A -0.2777
2299 S A 0.1732
2300 L A 1.5426
2301 A A 0.1738
2302 Q A -0.9455
2303 A A -0.3451
2304 Q A -0.9073
2305 T A -0.4451
2306 Q A -0.9101
2307 L A 1.2689
2308 G A -0.2261
2309 P A -0.5634
2310 Q A -1.2541
2311 P A -0.5244
2312 E A -0.9922
2313 V A -0.0396
2314 T A -0.0521
2315 P A -0.5781
2316 K A -2.0939
2317 R A -2.2955
2318 Q A -0.7898
2319 V A 1.1080
2320 L A 0.8031
2321 A A 0.1690
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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, -0.2006 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 -0.2006 View CSV PDB
model_7 -0.2031 View CSV PDB
model_5 -0.2034 View CSV PDB
model_9 -0.2044 View CSV PDB
model_2 -0.2062 View CSV PDB
model_1 -0.209 View CSV PDB
model_4 -0.2094 View CSV PDB
model_6 -0.2103 View CSV PDB
model_8 -0.2111 View CSV PDB
CABS_average -0.2128 View CSV PDB
model_3 -0.2257 View CSV PDB
model_10 -0.2339 View CSV PDB
model_11 -0.2363 View CSV PDB
input -0.2823 View CSV PDB