Project name: WT_5_4D

Status: done

Started: 2026-05-22 05:04:28
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       CABS:     Running CABS flex simulation                                                (00:31:02)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (18:46:52)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (18:47:39)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (18:48:24)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (18:49:09)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (18:49:55)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (18:50:40)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (18:51:26)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (18:52:11)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (18:52:57)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (18:53:46)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (18:54:34)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (18:55:22)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (18:56:07)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (18:57:36)
[INFO]       Main:     Simulation completed successfully.                                          (18:58:21)
Show buried residues

Minimal score value
-2.4627
Maximal score value
2.5853
Average score
-0.2054
Total score value
-476.7873

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 -0.1336
2 G A -0.2257
3 P A -0.3044
4 G A -0.4812
5 A A 0.0000
6 R A 0.0000
7 G A -0.1782
8 R A -0.8403
9 R A -2.2857
10 R A -2.4193
11 R A -1.7789
12 R A -2.0021
13 R A -2.1343
14 P A -0.4762
15 M A 0.2155
16 S A -0.1648
17 P A -0.0780
18 P A 0.0000
19 P A -0.0412
20 P A 0.0000
21 P A 0.0000
22 P A -0.3063
23 P A 0.0250
24 V A 1.3783
25 R A -1.4998
26 A A 0.0055
27 L A 1.5095
28 P A 0.1076
29 L A 0.4203
30 L A 0.6966
31 L A 0.0000
32 L A 1.5897
33 L A 0.4812
34 A A 0.0320
35 G A -0.1254
36 P A -0.3579
37 G A -0.5073
38 A A -0.0420
39 A A 0.2511
40 A A -0.0317
41 P A -0.1787
42 P A -0.0263
43 C A 0.3387
44 L A 0.0000
45 D A -0.9660
46 G A -0.6528
47 S A -0.2195
48 P A -0.1804
49 C A 0.0558
50 A A 0.0353
51 N A -0.2433
52 G A -0.4323
53 G A -0.8745
54 R A -1.7919
55 C A 0.3747
56 T A -0.0928
57 Q A -1.1991
58 L A 0.0000
59 P A -0.2754
60 S A -0.6090
61 R A -2.1011
62 E A -1.4961
63 A A -0.3904
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A 0.0000
68 P A -0.2813
69 P A -0.3090
70 G A 0.0000
71 W A 0.0000
72 V A 0.0000
73 G A 0.0000
74 E A -1.9637
75 R A -2.1441
76 C A 0.0000
77 Q A -1.1361
78 L A -0.1310
79 E A -1.1824
80 D A -0.8563
81 P A 0.0000
82 C A 0.0000
83 H A -1.0305
84 S A -0.4163
85 G A -0.1709
86 P A -0.2065
87 C A 0.3091
88 A A 0.0345
89 G A -0.6671
90 R A -1.2894
91 G A -0.6531
92 V A 0.0070
93 C A 0.1028
94 Q A -0.9073
95 S A -0.0955
96 S A 0.0000
97 V A 0.0000
98 V A 0.8264
99 A A 0.1205
100 G A -0.4618
101 T A -0.1230
102 A A 0.0000
103 R A -0.7890
104 F A 0.8121
105 S A 0.1710
106 C A 0.0000
107 R A -1.3094
108 C A 0.0000
109 P A -0.6118
110 R A -1.8602
111 G A -0.3456
112 F A 0.0603
113 R A -0.9311
114 G A -0.2789
115 P A -0.6035
116 D A -1.7889
117 C A -0.1282
118 S A 0.1476
119 L A 1.2662
120 P A 0.0414
121 D A -0.3107
122 P A -0.1022
123 C A 0.0000
124 L A 0.8657
125 S A 0.0130
126 S A -0.2358
127 P A -0.0627
128 C A 0.0000
129 A A 0.0410
130 H A 0.0000
131 G A -0.0782
132 A A -0.2896
133 R A -1.8083
134 C A -0.2190
135 S A 0.1154
136 V A 0.8620
137 G A 0.0323
138 P A -0.6235
139 D A -1.8599
140 G A -0.8238
141 R A -1.5601
142 F A 1.4236
143 L A 1.1603
144 C A 0.0000
145 S A -0.0233
146 C A 0.0649
147 P A -0.2377
148 P A -0.0983
149 G A 0.1587
150 Y A 1.0637
151 Q A -1.0311
152 G A -1.0537
153 R A -1.9614
154 S A -0.5371
155 C A -0.1383
156 R A 0.0000
157 S A -0.2480
158 D A -0.1864
159 V A -0.0136
160 D A -0.9329
161 E A 0.0000
162 C A -0.2867
163 R A -1.6276
164 V A 0.6280
165 G A -0.4737
166 E A -1.2088
167 P A -0.2992
168 C A -0.3033
169 R A -1.8653
170 H A -0.6246
171 G A -0.5892
172 G A -0.5575
173 T A -0.0664
174 C A 0.3771
175 L A 0.7831
176 N A -0.4417
177 T A -0.1840
178 P A -0.2700
179 G A -0.1193
180 S A 0.1632
181 F A 0.9442
182 R A -0.2906
183 C A -0.0268
184 Q A -0.4560
185 C A -0.0271
186 P A 0.0034
187 A A -0.0618
188 G A -0.4520
189 Y A 0.0000
190 T A -0.1780
191 G A -0.1022
192 P A 0.0171
193 L A 1.5013
194 C A 0.0000
195 E A -1.6729
196 N A -1.5826
197 P A -0.4804
198 A A -0.0324
199 V A 0.1578
200 P A -0.1399
201 C A 0.3416
202 A A 0.0491
203 P A -0.2455
204 S A -0.1112
205 P A -0.1672
206 C A 0.0000
207 R A -1.3550
208 N A -0.6509
209 G A -0.4189
210 G A -0.3828
211 T A -0.0692
212 C A -0.1901
213 R A -2.0063
214 Q A -1.4137
215 S A -0.4299
216 G A -0.8371
217 D A -1.8788
218 L A 0.0000
219 T A 0.1259
220 Y A 0.4789
221 D A -1.6315
222 C A 0.0000
223 A A 0.0629
224 C A 0.2592
225 L A 0.3321
226 P A -0.2155
227 G A -0.1800
228 F A 0.0000
229 E A -1.4613
230 G A -0.9514
231 Q A -1.3249
232 N A -0.4291
233 C A 0.0000
234 E A -0.8667
235 V A 0.3385
236 N A 0.0000
237 V A 1.4444
238 D A -1.5329
239 D A -0.6791
240 C A 0.0054
241 P A -0.3185
242 G A -0.5474
243 H A -0.6181
244 R A -1.8497
245 C A 0.0117
246 L A 0.9155
247 N A -1.1525
248 G A -0.7275
249 G A -0.0605
250 T A -0.0728
251 C A 0.0000
252 V A 0.0000
253 D A 0.0000
254 G A 0.0000
255 V A 0.4851
256 N A -1.1414
257 T A -0.0181
258 Y A 1.2464
259 N A -0.1019
260 C A 0.0000
261 Q A -0.1935
262 C A 0.0000
263 P A 0.0000
264 P A -0.2124
265 E A 0.0000
266 W A 0.0000
267 T A -0.1217
268 G A -0.6877
269 Q A -0.8653
270 F A 1.7615
271 C A 0.5533
272 T A -0.1792
273 E A -1.1711
274 D A -0.4079
275 V A 1.5409
276 D A 0.0000
277 E A -0.6386
278 C A 0.0000
279 Q A -0.8992
280 L A 1.2029
281 Q A -0.3607
282 P A -0.4275
283 N A -0.3415
284 A A -0.0092
285 C A 0.0000
286 H A -0.3583
287 N A -0.4761
288 G A -0.3297
289 G A -0.4918
290 T A 0.0000
291 C A 0.5922
292 F A 1.7427
293 N A -0.9231
294 T A -0.0255
295 L A 1.5075
296 G A 0.1328
297 G A -0.1383
298 H A 0.0000
299 S A -0.0699
300 C A 0.0000
301 V A 1.7399
302 C A 0.0000
303 V A 0.1816
304 N A -0.9924
305 G A -0.2150
306 W A 0.2016
307 T A -0.0180
308 G A -0.5507
309 E A -1.9135
310 S A -0.4221
311 C A 0.6403
312 S A -0.1527
313 Q A -1.1943
314 N A -1.0773
315 I A 1.4510
316 D A -1.6312
317 D A -2.0838
318 C A -0.2474
319 A A 0.0263
320 T A -0.0613
321 A A 0.1777
322 V A 0.8984
323 C A 0.5528
324 F A 0.8153
325 H A -0.8958
326 G A -0.6484
327 A A -0.1949
328 T A -0.1670
329 C A 0.0523
330 H A -0.5980
331 D A -1.9879
332 R A -1.8027
333 V A 1.4305
334 A A 0.3654
335 S A 0.0328
336 F A 0.6650
337 Y A 0.9349
338 C A 0.3757
339 A A 0.1037
340 C A 0.1460
341 P A -0.0221
342 M A 0.9864
343 G A 0.0697
344 K A -0.2100
345 T A 0.0000
346 G A 0.1457
347 L A 1.7593
348 L A 1.5710
349 C A 0.0000
350 H A 0.0000
351 L A 0.3679
352 D A -0.3180
353 D A -0.9125
354 A A 0.0000
355 C A 0.0000
356 V A 1.7325
357 S A -0.1163
358 N A -1.3622
359 P A -0.4766
360 C A 0.0220
361 H A -0.6496
362 E A -1.9695
363 D A -0.8046
364 A A 0.3143
365 I A 2.0367
366 C A 0.2521
367 D A -1.5649
368 T A 0.0000
369 N A 0.0000
370 P A -0.1378
371 V A 0.5913
372 N A -1.0846
373 G A -0.9686
374 R A -1.9272
375 A A 0.0658
376 I A 2.0802
377 C A 0.7202
378 T A 0.0496
379 C A 0.1186
380 P A -0.2009
381 P A -0.3149
382 G A 0.2226
383 F A 1.8683
384 T A 0.2357
385 G A -0.5630
386 G A -0.5532
387 A A -0.0670
388 C A 0.0000
389 D A 0.0000
390 Q A -0.1030
391 D A 0.0000
392 V A 0.9503
393 D A -1.6732
394 E A -2.0718
395 C A -0.1330
396 S A 0.3430
397 I A 1.9169
398 G A -0.0475
399 A A 0.0000
400 N A -0.3534
401 P A 0.0000
402 C A 0.3951
403 E A -1.8050
404 H A -0.6857
405 L A 1.3317
406 G A -0.5241
407 R A -1.8641
408 C A 0.1552
409 V A 0.8264
410 N A -0.2059
411 T A 0.0000
412 Q A -0.2278
413 G A -0.3573
414 S A 0.0000
415 F A 0.0000
416 L A 0.0000
417 C A 0.0000
418 Q A -1.0411
419 C A -0.1118
420 G A -0.4655
421 R A -0.2768
422 G A -0.1027
423 Y A 0.0000
424 T A -0.0353
425 G A -0.2069
426 P A -0.3684
427 R A -0.5646
428 C A 0.0000
429 E A 0.0000
430 T A -0.1588
431 D A -0.3046
432 V A 0.0000
433 N A 0.0000
434 E A 0.0000
435 C A 0.1419
436 L A 0.3495
437 S A 0.0000
438 G A -0.4753
439 P A -0.0118
440 C A 0.3341
441 R A -1.8005
442 N A -1.7995
443 Q A -1.5895
444 A A -0.1967
445 T A -0.0069
446 C A 0.1125
447 L A 0.0000
448 D A 0.0000
449 R A -0.1770
450 I A 1.3961
451 G A 0.0000
452 Q A 0.0000
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.6325
457 C A 0.2725
458 M A 0.1569
459 A A 0.0483
460 G A 0.1016
461 F A 1.3566
462 T A 0.1015
463 G A -0.4819
464 T A -0.0298
465 Y A 0.3760
466 C A 0.0000
467 E A -1.6164
468 V A 0.1048
469 D A -1.4317
470 I A -0.4182
471 D A -1.9209
472 E A -1.1521
473 C A 0.1651
474 Q A -1.1293
475 S A -0.4510
476 S A -0.1365
477 P A -0.1769
478 C A 0.0000
479 V A 1.0062
480 N A -1.0322
481 G A -0.3019
482 G A 0.3636
483 V A 1.7713
484 C A 0.2487
485 K A -2.0014
486 D A -2.4627
487 R A -1.8421
488 V A 1.3196
489 N A -0.1707
490 G A 0.0000
491 F A 1.9243
492 S A 0.3445
493 C A 0.3308
494 T A 0.3622
495 C A 0.6981
496 P A 0.0663
497 S A -0.2964
498 G A -0.0630
499 F A 1.8225
500 S A 0.1416
501 G A -0.1594
502 S A -0.2396
503 T A -0.0886
504 C A 0.1430
505 Q A 0.0000
506 L A 0.0835
507 D A -0.3224
508 V A 0.1322
509 D A -2.0284
510 E A -2.1592
511 C A 0.0000
512 A A 0.0180
513 S A -0.2054
514 T A -0.1091
515 P A -0.2167
516 C A -0.0047
517 R A -1.1551
518 N A -1.5421
519 G A -0.7050
520 A A -0.4080
521 K A -1.6797
522 C A 0.1526
523 V A 1.5902
524 D A -0.8178
525 Q A -1.4582
526 P A -0.8241
527 D A -1.8613
528 G A -0.3566
529 Y A 0.8390
530 E A -1.5156
531 C A -0.4012
532 R A -1.7372
533 C A -0.0979
534 A A -0.2423
535 E A -1.8201
536 G A -0.0413
537 F A 1.6411
538 E A -1.2175
539 G A -0.7345
540 T A 0.2136
541 L A 1.5947
542 C A 0.5255
543 D A 0.0000
544 R A -2.0806
545 N A -1.2839
546 V A 1.1977
547 D A -1.7928
548 D A -2.1128
549 C A -0.3027
550 S A -0.2274
551 P A -0.5132
552 D A -1.8634
553 P A -0.5724
554 C A -0.0932
555 H A -0.9856
556 H A -0.3451
557 G A -0.5643
558 R A -1.7414
559 C A 0.4904
560 V A 0.3107
561 D A -1.7188
562 G A -0.2410
563 I A 1.3267
564 A A 0.2146
565 S A 0.0454
566 F A 1.1980
567 S A 0.0000
568 C A 0.1863
569 A A -0.1791
570 C A 0.0000
571 A A 0.0220
572 P A -0.2167
573 G A -0.0818
574 Y A 0.6822
575 T A 0.0024
576 G A -0.4724
577 T A -0.4586
578 R A -1.8232
579 C A -0.5838
580 E A -1.8220
581 S A -0.6951
582 Q A -0.9365
583 V A 0.9531
584 D A -1.3579
585 E A -0.7344
586 C A -0.2875
587 R A -1.7134
588 S A -0.7235
589 Q A -1.4326
590 P A -0.3037
591 C A -0.2612
592 R A -1.8766
593 H A -0.6673
594 G A -0.2847
595 G A -0.8204
596 K A -1.7289
597 C A 0.2666
598 L A 1.1466
599 D A -1.0187
600 L A 0.7550
601 V A 1.6053
602 D A -1.7760
603 K A -1.7994
604 Y A 0.5111
605 L A 1.1241
606 C A -0.0132
607 R A -1.7784
608 C A -0.1586
609 P A -0.2152
610 S A -0.2546
611 G A -0.5022
612 T A -0.1626
613 T A -0.0583
614 G A 0.1303
615 V A 0.2350
616 N A -1.0250
617 C A 0.2076
618 E A -1.3644
619 V A 0.9806
620 N A 0.0000
621 I A 1.9271
622 D A -0.2166
623 D A -0.9183
624 C A 0.0000
625 A A 0.0180
626 S A -0.4454
627 N A -1.3670
628 P A -0.5973
629 C A 0.0330
630 T A 0.3096
631 F A 1.6929
632 G A 0.3661
633 V A 0.9108
634 C A 0.3586
635 R A -1.8324
636 D A -0.6771
637 G A -0.3649
638 I A 0.3765
639 N A -1.4457
640 R A -1.8472
641 Y A -0.0369
642 D A -1.5286
643 C A 0.4804
644 V A 0.6605
645 C A 0.1081
646 Q A -1.0734
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1974 T A 0.0000
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1977 F A 0.0000
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1983 G A -0.4094
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1991 L A 0.0000
1992 L A 0.0000
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1994 H A -1.0222
1995 F A 0.0000
1996 A A 0.0000
1997 N A -0.8201
1998 R A -0.4696
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2003 H A -1.0844
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2010 D A -1.2108
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2012 A A 0.0000
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2014 E A -2.3123
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2275 T A 0.0000
2276 A A 0.0000
2277 T A -0.0887
2278 G A -0.0968
2279 A A 0.0652
2280 M A 0.1465
2281 A A 0.0317
2282 T A 0.0000
2283 T A -0.0092
2284 T A -0.1358
2285 G A -0.4665
2286 A A -0.0045
2287 L A 0.3929
2288 P A 0.0000
2289 A A 0.0077
2290 Q A 0.0000
2291 P A 0.1552
2292 L A 1.4801
2293 P A 0.1191
2294 L A 0.2335
2295 S A 0.0389
2296 V A 0.1523
2297 P A -0.0328
2298 S A -0.1073
2299 S A -0.0603
2300 L A 0.4487
2301 A A 0.1193
2302 Q A -0.1466
2303 A A 0.0007
2304 Q A 0.0000
2305 T A -0.1019
2306 Q A -0.2098
2307 L A 0.9188
2308 G A -0.2703
2309 P A -0.3540
2310 Q A -1.2548
2311 P A -0.6844
2312 E A -0.7970
2313 V A 1.5591
2314 T A 0.2977
2315 P A -0.4123
2316 K A -1.7416
2317 R A 0.0000
2318 Q A -1.1505
2319 V A 0.3154
2320 L A 1.5883
2321 A A 0.3157
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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, -0.2054 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_4 -0.2054 View CSV PDB
model_3 -0.2068 View CSV PDB
model_0 -0.2116 View CSV PDB
model_5 -0.2164 View CSV PDB
model_1 -0.2167 View CSV PDB
model_2 -0.219 View CSV PDB
model_9 -0.2201 View CSV PDB
CABS_average -0.2202 View CSV PDB
model_8 -0.2206 View CSV PDB
model_7 -0.2225 View CSV PDB
model_6 -0.225 View CSV PDB
model_10 -0.2385 View CSV PDB
model_11 -0.2396 View CSV PDB
input -0.2788 View CSV PDB