Project name: T465C_5_4D

Status: done

Started: 2026-05-22 01:21:24
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]                                                (00:00:01)
[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                                          (00:00:01)
[INFO]       CABS:     Running CABS flex simulation                                                (00:21:14)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (15:38:41)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (15:39:59)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (15:41:16)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (15:42:33)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (15:43:52)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (15:45:09)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (15:46:28)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (15:47:46)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (15:49:02)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (15:50:22)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (15:51:40)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (15:52:47)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (15:54:02)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (15:56:28)
[INFO]       Main:     Simulation completed successfully.                                          (15:57:38)
Show buried residues

Minimal score value
-2.5444
Maximal score value
2.6558
Average score
-0.2064
Total score value
-478.9912

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 1.0116
2 G A -0.2770
3 P A -0.2278
4 G A -0.4690
5 A A -0.0507
6 R A 0.0000
7 G A -0.4569
8 R A -1.0878
9 R A -1.1991
10 R A -0.4446
11 R A -0.5854
12 R A -2.0854
13 R A -1.3226
14 P A -0.2543
15 M A 0.8614
16 S A 0.0000
17 P A -0.2210
18 P A -0.1087
19 P A 0.0000
20 P A -0.2223
21 P A -0.3026
22 P A -0.2956
23 P A -0.1967
24 V A 0.5893
25 R A -0.0467
26 A A 0.0841
27 L A 0.2872
28 P A -0.1303
29 L A 0.5819
30 L A 0.9649
31 L A 0.5537
32 L A 0.5296
33 L A 0.3131
34 A A 0.0809
35 G A -0.1484
36 P A -0.1919
37 G A -0.4801
38 A A -0.0270
39 A A 0.0708
40 A A -0.0219
41 P A -0.3006
42 P A -0.2615
43 C A 0.2017
44 L A 0.0035
45 D A -0.9819
46 G A -0.3886
47 S A 0.0000
48 P A 0.0000
49 C A 0.0993
50 A A -0.0955
51 N A -0.7674
52 G A -0.4037
53 G A -0.7122
54 R A -1.8643
55 C A -0.1435
56 T A -0.0964
57 Q A -0.5279
58 L A 0.0000
59 P A -0.2949
60 S A -0.6221
61 R A -2.2338
62 E A -2.1725
63 A A 0.0000
64 A A 0.0067
65 C A 0.0000
66 L A 0.7640
67 C A 0.0000
68 P A -0.2739
69 P A -0.1911
70 G A -0.4026
71 W A 0.4110
72 V A 0.4844
73 G A 0.0000
74 E A -1.8958
75 R A -1.3470
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0000
79 E A -0.6999
80 D A -0.6996
81 P A -0.1389
82 C A 0.0000
83 H A -0.9901
84 S A 0.0000
85 G A -0.3592
86 P A -0.3190
87 C A 0.0000
88 A A -0.2269
89 G A -0.8034
90 R A -1.9594
91 G A -0.1754
92 V A 1.7784
93 C A 0.3207
94 Q A -1.1742
95 S A -0.3295
96 S A -0.0495
97 V A 0.4906
98 V A 0.4084
99 A A 0.0000
100 G A 0.0000
101 T A 0.0000
102 A A 0.0000
103 R A -1.4894
104 F A 0.0000
105 S A -0.0669
106 C A 0.0000
107 R A -0.8080
108 C A -0.1593
109 P A -0.2935
110 R A -0.3851
111 G A -0.1672
112 F A 1.6787
113 R A -0.7569
114 G A 0.0000
115 P A -0.1182
116 D A 0.0000
117 C A 0.0000
118 S A 0.2410
119 L A 1.4314
120 P A -0.1466
121 D A -1.2002
122 P A -0.3247
123 C A 0.9367
124 L A 1.4479
125 S A -0.0013
126 S A -0.3190
127 P A -0.2768
128 C A 0.1436
129 A A 0.0143
130 H A -0.4889
131 G A -0.5364
132 A A -0.4009
133 R A -1.7898
134 C A -0.1676
135 S A 0.1650
136 V A 1.6456
137 G A -0.1512
138 P A -0.5247
139 D A -1.8343
140 G A -0.5666
141 R A -0.2327
142 F A 0.7723
143 L A 0.6095
144 C A 0.1654
145 S A -0.1406
146 C A 0.0000
147 P A -0.1341
148 P A -0.1403
149 G A 0.0903
150 Y A 1.2212
151 Q A -0.1131
152 G A -0.6133
153 R A -1.9021
154 S A -0.3656
155 C A -0.1841
156 R A -1.8120
157 S A -0.6057
158 D A -0.9818
159 V A 0.0000
160 D A -1.8560
161 E A -0.8923
162 C A 0.0000
163 R A -1.5481
164 V A 1.3349
165 G A -0.1649
166 E A -0.3377
167 P A -0.2529
168 C A 0.0613
169 R A -0.7283
170 H A -1.1874
171 G A -0.6825
172 G A -0.2903
173 T A 0.0043
174 C A 0.6191
175 L A 0.7852
176 N A -0.2066
177 T A -0.1383
178 P A -0.3988
179 G A -0.1454
180 S A -0.1115
181 F A 0.0000
182 R A -0.4957
183 C A 0.0000
184 Q A -1.0813
185 C A 0.1844
186 P A 0.1007
187 A A 0.0169
188 G A -0.3662
189 Y A 0.3857
190 T A 0.0000
191 G A -0.1492
192 P A 0.0885
193 L A 1.6326
194 C A 0.9575
195 E A -0.3051
196 N A -1.3466
197 P A -0.2068
198 A A 0.3587
199 V A 1.7576
200 P A 0.2666
201 C A 0.2088
202 A A -0.0146
203 P A -0.2119
204 S A -0.3254
205 P A -0.3223
206 C A 0.0000
207 R A -2.0865
208 N A -1.7125
209 G A -0.7934
210 G A -0.5386
211 T A 0.0000
212 C A 0.0000
213 R A -2.0014
214 Q A -1.1498
215 S A -0.3319
216 G A -0.8172
217 D A -1.8401
218 L A -0.1562
219 T A 0.0000
220 Y A 0.1445
221 D A -0.9824
222 C A -0.1113
223 A A 0.0388
224 C A 0.0000
225 L A 0.8392
226 P A -0.1281
227 G A -0.1173
228 F A 1.6184
229 E A -1.5450
230 G A -1.0434
231 Q A -1.2871
232 N A 0.0000
233 C A 0.0000
234 E A -0.6834
235 V A 0.0000
236 N A -1.1391
237 V A 0.0000
238 D A -1.9774
239 D A -1.7320
240 C A 0.0000
241 P A -0.2579
242 G A -0.6447
243 H A -1.2245
244 R A -1.9525
245 C A -0.0647
246 L A 0.1551
247 N A -1.2509
248 G A -0.5697
249 G A -0.5195
250 T A -0.1348
251 C A 0.5580
252 V A 1.3164
253 D A -0.2072
254 G A -0.2693
255 V A 0.1964
256 N A -1.1901
257 T A -0.3040
258 Y A 0.0000
259 N A -0.6255
260 C A 0.0000
261 Q A -0.6795
262 C A -0.0431
263 P A 0.0000
264 P A -0.5947
265 E A -1.8675
266 W A 0.0000
267 T A -0.0485
268 G A -0.4455
269 Q A -0.9474
270 F A 1.7504
271 C A 0.5142
272 T A -0.2011
273 E A -1.2727
274 D A -1.9670
275 V A 0.0000
276 D A -0.7815
277 E A 0.0000
278 C A 0.0000
279 Q A -1.0714
280 L A 0.5605
281 Q A -0.1323
282 P A -0.5181
283 N A -0.3828
284 A A -0.0198
285 C A 0.0000
286 H A -0.6690
287 N A -0.4072
288 G A -0.5401
289 G A -0.3257
290 T A -0.0191
291 C A 0.5434
292 F A 1.8920
293 N A -0.0884
294 T A 0.0712
295 L A 1.1075
296 G A 0.0460
297 G A 0.0000
298 H A 0.0000
299 S A -0.0652
300 C A 0.0000
301 V A 0.4465
302 C A 0.1588
303 V A 0.0000
304 N A -1.2926
305 G A -0.2826
306 W A 0.2284
307 T A -0.0218
308 G A -0.4562
309 E A -1.8527
310 S A -0.4601
311 C A 0.0000
312 S A -0.1815
313 Q A -0.6064
314 N A -0.2325
315 I A 1.8126
316 D A -0.2536
317 D A -0.3544
318 C A -0.1104
319 A A 0.0210
320 T A -0.0557
321 A A 0.0021
322 V A 0.0000
323 C A 0.0000
324 F A 0.1424
325 H A -0.9618
326 G A -0.3580
327 A A -0.0099
328 T A -0.0176
329 C A 0.0000
330 H A -0.4276
331 D A -1.2239
332 R A -1.7486
333 V A 0.9350
334 A A 0.2838
335 S A 0.3277
336 F A 2.0428
337 Y A 1.2032
338 C A 0.2430
339 A A 0.0482
340 C A 0.1098
341 P A -0.1169
342 M A 0.1745
343 G A -0.7037
344 K A -1.9078
345 T A 0.0000
346 G A 0.0000
347 L A 1.6531
348 L A 0.8528
349 C A 0.0000
350 H A 0.0000
351 L A 0.0000
352 D A 0.0000
353 D A -1.9088
354 A A 0.0000
355 C A 0.9840
356 V A 1.8948
357 S A 0.0000
358 N A -1.3428
359 P A -0.6036
360 C A 0.0000
361 H A -1.1150
362 E A -1.1972
363 D A -1.9161
364 A A -0.1945
365 I A 0.7613
366 C A -0.0231
367 D A -1.2596
368 T A 0.0000
369 N A 0.0000
370 P A 0.2820
371 V A 1.6784
372 N A -0.1398
373 G A 0.0000
374 R A -0.9079
375 A A 0.0000
376 I A 0.5557
377 C A 0.0000
378 T A 0.0000
379 C A 0.0728
380 P A 0.0000
381 P A -0.0401
382 G A 0.0226
383 F A 0.4757
384 T A 0.0072
385 G A -0.1340
386 G A -0.1203
387 A A 0.0215
388 C A 0.0740
389 D A -0.3007
390 Q A 0.0000
391 D A -0.3908
392 V A 0.0000
393 D A -0.9865
394 E A -0.3384
395 C A 0.3309
396 S A 0.4329
397 I A 1.9190
398 G A -0.0758
399 A A -0.0300
400 N A 0.0000
401 P A -0.1725
402 C A 0.0000
403 E A -1.9433
404 H A -0.7330
405 L A 1.1916
406 G A -0.5437
407 R A -1.7949
408 C A 0.6505
409 V A 1.4620
410 N A -0.1708
411 T A -0.1844
412 Q A -0.4158
413 G A -0.2370
414 S A -0.0800
415 F A 0.3925
416 L A 1.4253
417 C A 0.0000
418 Q A -1.1836
419 C A -0.2308
420 G A -0.2788
421 R A -0.5935
422 G A -0.1870
423 Y A 1.2787
424 T A 0.1117
425 G A -0.5257
426 P A -0.6325
427 R A -1.5765
428 C A 0.0000
429 E A -0.6868
430 T A -0.4819
431 D A -1.3841
432 V A 0.2105
433 N A -1.0536
434 E A -1.5227
435 C A 0.2749
436 L A 1.5835
437 S A 0.1231
438 G A -0.4977
439 P A -0.1013
440 C A 0.2041
441 R A -1.2221
442 N A -1.5028
443 Q A -1.1993
444 A A 0.0000
445 T A -0.0332
446 C A 0.3111
447 L A 0.7158
448 D A -1.7166
449 R A -1.8842
450 I A 1.0138
451 G A 0.0334
452 Q A -0.8336
453 F A 0.1704
454 T A 0.2035
455 C A 0.3600
456 I A 1.3387
457 C A 0.0000
458 M A 0.8386
459 A A 0.0891
460 G A -0.0970
461 F A 1.8528
462 T A 0.0000
463 G A -0.1674
464 T A 0.0312
465 C A 0.8621
466 C A 0.5278
467 E A -1.4464
468 V A 0.6238
469 D A -0.9158
470 I A -0.1030
471 D A -1.8750
472 E A -1.2648
473 C A 0.0000
474 Q A -1.2381
475 S A -0.4424
476 S A -0.1175
477 P A -0.2605
478 C A 0.0000
479 V A 0.9622
480 N A -0.2690
481 G A -0.2424
482 G A -0.3289
483 V A 0.2572
484 C A -0.0526
485 K A -1.9879
486 D A -2.4017
487 R A -1.8430
488 V A 1.1942
489 N A -0.9075
490 G A -0.2526
491 F A 1.1892
492 S A 0.2018
493 C A 0.1261
494 T A -0.0049
495 C A 0.0264
496 P A -0.2580
497 S A -0.0670
498 G A -0.2052
499 F A 1.3430
500 S A 0.0390
501 G A -0.5351
502 S A -0.3135
503 T A -0.0715
504 C A 0.0271
505 Q A -0.7703
506 L A 0.0000
507 D A -1.7401
508 V A -0.3067
509 D A -1.2543
510 E A -0.9062
511 C A 0.0000
512 A A 0.0185
513 S A -0.2781
514 T A -0.1248
515 P A -0.2461
516 C A -0.3134
517 R A -2.0678
518 N A -1.7090
519 G A -0.6823
520 A A -0.3554
521 K A -1.6293
522 C A 0.1524
523 V A 0.5359
524 D A -0.2960
525 Q A -1.3219
526 P A -0.7200
527 D A -0.8462
528 G A -0.4322
529 Y A 0.4077
530 E A -1.5512
531 C A -0.1433
532 R A -1.7150
533 C A -0.2599
534 A A -0.1399
535 E A -1.2076
536 G A -0.0868
537 F A 1.6670
538 E A -0.9480
539 G A -0.7141
540 T A 0.2321
541 L A 1.6712
542 C A 0.9119
543 D A -0.7319
544 R A -2.0682
545 N A -0.6768
546 V A 1.4702
547 D A -0.9252
548 D A -1.9293
549 C A -0.1759
550 S A -0.1548
551 P A -0.5561
552 D A -1.8528
553 P A -0.4868
554 C A 0.0000
555 H A -1.0899
556 H A -0.7905
557 G A -0.9047
558 R A -1.9315
559 C A 0.0000
560 V A 0.5191
561 D A 0.0795
562 G A -0.1224
563 I A 1.9057
564 A A 0.4062
565 S A -0.0366
566 F A 0.7775
567 S A 0.0618
568 C A 0.1830
569 A A -0.1190
570 C A 0.0173
571 A A -0.0060
572 P A -0.2330
573 G A 0.1157
574 Y A 1.0463
575 T A 0.0000
576 G A -0.4356
577 T A -0.3086
578 R A -0.7080
579 C A 0.4739
580 E A -0.3751
581 S A 0.0000
582 Q A -0.3124
583 V A -0.0107
584 D A -1.5756
585 E A 0.0000
586 C A -0.2497
587 R A -1.8650
588 S A -0.6273
589 Q A -0.4945
590 P A -0.3151
591 C A -0.3027
592 R A -2.0172
593 H A -1.4514
594 G A -0.6816
595 G A -0.6683
596 K A -1.7124
597 C A -0.1289
598 L A 0.4526
599 D A -0.2596
600 L A 0.9196
601 V A 1.5557
602 D A -1.7678
603 K A -1.9998
604 Y A 0.0155
605 L A 0.7408
606 C A -0.1307
607 R A -1.8103
608 C A -0.3022
609 P A -0.1777
610 S A -0.2896
611 G A -0.2974
612 T A 0.0000
613 T A -0.2720
614 G A -0.0039
615 V A 1.2608
616 N A -0.9764
617 C A 0.0000
618 E A -1.6668
619 V A 0.2259
620 N A -0.0424
621 I A 1.5658
622 D A -1.4145
623 D A -0.6534
624 C A 0.4027
625 A A 0.0965
626 S A -0.4565
627 N A -1.3282
628 P A -0.3905
629 C A 0.0887
630 T A 0.1902
631 F A 1.0848
632 G A 0.3356
633 V A 1.7437
634 C A 0.0891
635 R A -1.9850
636 D A -0.7404
637 G A -0.0771
638 I A 1.7464
639 N A -1.2376
640 R A -1.9286
641 Y A 0.4024
642 D A -0.6476
643 C A 0.0608
644 V A 0.4756
645 C A 0.0000
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1950 N A -0.4895
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1954 A A 0.0000
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1956 L A 1.3266
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1968 Q A -0.2313
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0237
1979 A A 0.0000
1980 A A 0.0000
1981 R A -1.4633
1982 E A -1.2371
1983 G A 0.0000
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1985 Y A 0.1668
1986 E A -0.1454
1987 A A 0.0000
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1989 K A -0.1508
1990 L A -0.0033
1991 L A 0.0000
1992 L A -0.2462
1993 D A -1.8437
1994 H A -0.9205
1995 F A 0.0000
1996 A A 0.0000
1997 N A 0.0000
1998 R A -0.1983
1999 E A 0.0000
2000 I A 0.0000
2001 T A 0.0000
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2003 H A -0.2170
2004 L A 0.0000
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2006 R A 0.0000
2007 L A 0.1508
2008 P A 0.0000
2009 R A -0.5593
2010 D A 0.0000
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -1.4377
2015 R A -1.7535
2016 L A 0.9271
2017 H A -0.4539
2018 Q A -1.3204
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2273 P A -0.2502
2274 A A -0.0645
2275 T A 0.0000
2276 A A 0.0550
2277 T A -0.0565
2278 G A -0.2645
2279 A A 0.0265
2280 M A 0.3514
2281 A A 0.1233
2282 T A 0.0000
2283 T A 0.0000
2284 T A -0.1239
2285 G A -0.4694
2286 A A 0.2250
2287 L A 1.5028
2288 P A 0.0425
2289 A A -0.2781
2290 Q A -1.0896
2291 P A -0.4677
2292 L A 0.0985
2293 P A 0.0805
2294 L A 1.4773
2295 S A 0.4214
2296 V A 1.2646
2297 P A 0.0047
2298 S A -0.1417
2299 S A -0.0328
2300 L A 1.1171
2301 A A 0.2488
2302 Q A 0.0000
2303 A A 0.0585
2304 Q A 0.0000
2305 T A -0.1102
2306 Q A -0.3431
2307 L A 0.0000
2308 G A 0.0000
2309 P A -0.0529
2310 Q A -0.1913
2311 P A -0.2818
2312 E A 0.0000
2313 V A 1.7709
2314 T A 0.2811
2315 P A -0.3996
2316 K A -0.7807
2317 R A 0.0000
2318 Q A -0.0693
2319 V A 1.3433
2320 L A 0.7608
2321 A A 0.1529
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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, -0.2064 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_5 -0.2064 View CSV PDB
model_1 -0.2087 View CSV PDB
model_3 -0.2113 View CSV PDB
model_10 -0.2127 View CSV PDB
model_7 -0.2168 View CSV PDB
model_8 -0.2185 View CSV PDB
CABS_average -0.2224 View CSV PDB
model_4 -0.2236 View CSV PDB
model_9 -0.2248 View CSV PDB
model_2 -0.2276 View CSV PDB
model_0 -0.2307 View CSV PDB
model_6 -0.2376 View CSV PDB
model_11 -0.2506 View CSV PDB
input -0.2789 View CSV PDB