Project name: G73S_4D

Status: done

Started: 2026-05-14 00:53:10
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVSERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:17:36)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (11:01:58)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (11:02:37)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (11:03:15)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (11:03:54)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (11:04:32)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (11:05:11)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (11:05:50)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (11:06:28)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (11:07:07)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (11:07:45)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (11:08:24)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (11:09:02)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (11:09:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (11:10:58)
[INFO]       Main:     Simulation completed successfully.                                          (11:11:35)
Show buried residues

Minimal score value
-4.0119
Maximal score value
4.653
Average score
-0.5777
Total score value
-1340.7681

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 -0.6507
2 G A -0.5832
3 P A -1.1975
4 G A -1.0503
5 A A -1.0494
6 R A -1.8358
7 G A -2.6396
8 R A -3.3558
9 R A -3.2603
10 R A -3.1593
11 R A -3.6047
12 R A -3.6192
13 R A -2.3239
14 P A -1.0575
15 M A -0.5202
16 S A -0.4783
17 P A -0.5484
18 P A -0.3586
19 P A -0.4224
20 P A -0.3626
21 P A 0.0000
22 P A -0.2863
23 P A -0.6467
24 V A 0.0000
25 R A -0.5081
26 A A 0.0537
27 L A 1.1456
28 P A 0.8930
29 L A 0.7054
30 L A 0.9213
31 L A 2.1666
32 L A 0.0000
33 L A 1.2766
34 A A -0.2944
35 G A -0.5871
36 P A -0.6861
37 G A -0.6983
38 A A -0.2527
39 A A -0.2154
40 A A -0.2079
41 P A -0.3260
42 P A 0.0000
43 C A 0.0000
44 L A -0.1023
45 D A -1.3436
46 G A -0.6075
47 S A -0.6606
48 P A -0.2212
49 C A -0.4322
50 A A -0.8886
51 N A -1.5669
52 G A -1.2977
53 G A -1.7597
54 R A -2.2951
55 C A -0.6096
56 T A -1.1255
57 Q A -1.4688
58 L A -0.3004
59 P A -0.7887
60 S A -0.9713
61 R A -1.5519
62 E A -2.1498
63 A A -1.1943
64 A A 0.0000
65 C A -0.6189
66 L A 0.0000
67 C A 0.0000
68 P A -1.4457
69 P A -1.0661
70 G A -1.0055
71 W A 0.0000
72 V A -1.1307
73 S A -1.0352
74 E A -2.4946
75 R A -2.2049
76 C A 0.0000
77 Q A -1.1392
78 L A -0.7371
79 E A -1.5896
80 D A -1.9870
81 P A -1.3005
82 C A -0.9327
83 H A -0.4863
84 S A -0.3912
85 G A -0.4731
86 P A -0.9378
87 C A 0.0000
88 A A -1.2975
89 G A -1.3679
90 R A -2.0020
91 G A -1.5677
92 V A -1.4996
93 C A -1.7427
94 Q A -1.8700
95 S A -0.5812
96 S A 0.1386
97 V A 1.7635
98 V A 2.1131
99 A A 1.3442
100 G A 0.5979
101 T A 0.5895
102 A A -0.0803
103 R A -1.5541
104 F A 0.0000
105 S A -1.9625
106 C A 0.0000
107 R A -2.8453
108 C A 0.0000
109 P A -1.7512
110 R A -2.5139
111 G A -1.5842
112 F A 0.0000
113 R A -2.0267
114 G A 0.0000
115 P A -1.9417
116 D A -2.5487
117 C A -1.4633
118 S A -0.8768
119 L A -1.3417
120 P A -1.1150
121 D A -1.1831
122 P A -0.6996
123 C A 0.1318
124 L A 0.9330
125 S A 0.3241
126 S A 0.7593
127 P A 0.7849
128 C A 0.5372
129 A A -0.5875
130 H A -1.3342
131 G A -1.0809
132 A A -0.9836
133 R A -1.3866
134 C A 0.4561
135 S A 0.6243
136 V A 0.5345
137 G A -0.3230
138 P A -1.1829
139 D A -2.3304
140 G A -1.3511
141 R A -1.1995
142 F A 1.1533
143 L A 1.6554
144 C A 0.8334
145 S A -0.1373
146 C A -0.5708
147 P A -0.3660
148 P A -0.5321
149 G A -0.3991
150 Y A 0.0060
151 Q A -0.8136
152 G A -1.3125
153 R A -2.0078
154 S A -1.0271
155 C A -0.5873
156 R A -1.3695
157 S A 0.0000
158 D A -1.1122
159 V A -0.6094
160 D A -1.3225
161 E A 0.0000
162 C A 0.0000
163 R A -2.3314
164 V A -0.8280
165 G A -0.9702
166 E A -2.0741
167 P A -1.9439
168 C A -2.4248
169 R A -3.0459
170 H A -2.4777
171 G A -1.6904
172 G A -1.5033
173 T A -1.1726
174 C A -0.9424
175 L A 0.1188
176 N A -0.9440
177 T A -1.0156
178 P A -0.8790
179 G A -1.3761
180 S A -0.9026
181 F A 0.0000
182 R A -1.4696
183 C A -1.0293
184 Q A -1.6713
185 C A -1.7930
186 P A -1.0815
187 A A -0.5902
188 G A -0.8001
189 Y A 0.0000
190 T A -0.7502
191 G A -1.0117
192 P A -0.3983
193 L A 0.0718
194 C A 0.0000
195 E A -2.0806
196 N A -1.7953
197 P A -0.9855
198 A A -0.1601
199 V A 0.0789
200 P A -0.2136
201 C A -0.8137
202 A A -0.6405
203 P A -0.9650
204 S A -0.6261
205 P A -0.5767
206 C A -1.0549
207 R A 0.0000
208 N A -1.5650
209 G A -0.9795
210 G A -0.5199
211 T A -0.9760
212 C A 0.0000
213 R A -2.3458
214 Q A -1.3080
215 S A -1.0709
216 G A -1.0008
217 D A -1.2799
218 L A 0.6207
219 T A -0.0624
220 Y A -0.2318
221 D A -1.5762
222 C A -0.6680
223 A A -0.1299
224 C A 0.8560
225 L A 0.7756
226 P A 0.3318
227 G A 0.3767
228 F A 1.2002
229 E A -0.7760
230 G A -1.0951
231 Q A -1.6652
232 N A -1.0704
233 C A -0.3187
234 E A -0.7769
235 V A 0.1766
236 N A 0.3923
237 V A 0.7220
238 D A 0.0000
239 D A -1.6760
240 C A -0.7103
241 P A -0.5136
242 G A -1.0309
243 H A -1.3163
244 R A -2.2427
245 C A -1.1543
246 L A 0.1760
247 N A -1.2405
248 G A -1.2282
249 G A 0.0000
250 T A -1.2402
251 C A 0.0000
252 V A -0.2185
253 D A -0.2922
254 G A -0.0100
255 V A 0.2797
256 N A -0.9673
257 T A 0.0503
258 Y A 0.8252
259 N A -0.1520
260 C A -0.0982
261 Q A -0.8864
262 C A 0.0000
263 P A -0.4975
264 P A -0.3298
265 E A -0.6360
266 W A -0.0843
267 T A -0.1698
268 G A -0.5870
269 Q A -0.3861
270 F A 0.4964
271 C A 0.0000
272 T A -1.1930
273 E A -1.3191
274 D A -0.8119
275 V A -0.2679
276 D A -0.3951
277 E A -0.7851
278 C A 0.0000
279 Q A -1.3557
280 L A -0.9053
281 Q A -1.7999
282 P A -1.8115
283 N A -1.9744
284 A A -1.3308
285 C A -1.4374
286 H A -2.0217
287 N A -2.0788
288 G A -1.1375
289 G A -0.5182
290 T A -0.2209
291 C A -0.0311
292 F A 1.2221
293 N A 0.3309
294 T A 0.3973
295 L A 0.8934
296 G A -0.2097
297 G A -0.3989
298 H A -0.9514
299 S A -0.8072
300 C A 0.0000
301 V A -0.0458
302 C A 0.0000
303 V A 0.0000
304 N A -0.3714
305 G A 0.0000
306 W A 0.0000
307 T A 0.0000
308 G A -1.1688
309 E A -1.8083
310 S A -1.6451
311 C A 0.0000
312 S A -1.4529
313 Q A -1.4444
314 N A -1.6174
315 I A -0.0328
316 D A 0.0000
317 D A -0.4099
318 C A 0.0000
319 A A 0.1857
320 T A 0.1792
321 A A 0.3489
322 V A 0.9362
323 C A 1.1550
324 F A 1.7467
325 H A 0.1778
326 G A 0.0000
327 A A 0.0000
328 T A 0.0000
329 C A 0.0000
330 H A -0.6305
331 D A -0.8170
332 R A -0.2084
333 V A 0.7255
334 A A 0.3547
335 S A 0.0000
336 F A 0.0000
337 Y A 0.0000
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A 0.0000
342 M A 0.5644
343 G A -0.7102
344 K A -1.0308
345 T A 0.0000
346 G A 0.0000
347 L A 0.5013
348 L A 0.0000
349 C A 0.7692
350 H A 0.0000
351 L A 0.4677
352 D A -1.0952
353 D A -1.2760
354 A A -0.7858
355 C A 0.0000
356 V A 0.7427
357 S A -0.6356
358 N A -1.3119
359 P A -0.6107
360 C A -0.4561
361 H A -1.6061
362 E A 0.0000
363 D A -0.8276
364 A A -0.2676
365 I A 0.5385
366 C A 0.2685
367 D A 0.0000
368 T A 0.0000
369 N A 0.0000
370 P A 0.0781
371 V A 0.3529
372 N A 0.0000
373 G A -0.2949
374 R A 0.0000
375 A A 0.4865
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0000
380 P A 0.0000
381 P A -0.4799
382 G A -0.3948
383 F A 0.0000
384 T A 0.0000
385 G A 0.0000
386 G A 0.0000
387 A A -0.2194
388 C A -0.3013
389 D A 0.0000
390 Q A 0.0000
391 D A 0.0000
392 V A 0.0000
393 D A -0.6218
394 E A 0.0000
395 C A 0.0000
396 S A 0.5206
397 I A 0.8834
398 G A -0.0684
399 A A -0.0608
400 N A 0.0000
401 P A -0.3939
402 C A 0.0000
403 E A -1.8531
404 H A -1.5352
405 L A -0.0450
406 G A -1.2206
407 R A -1.7621
408 C A 0.0000
409 V A 0.2675
410 N A 0.0000
411 T A -0.4676
412 Q A 0.0000
413 G A 0.0064
414 S A -0.2164
415 F A 0.0000
416 L A -0.0284
417 C A 0.0000
418 Q A -1.5344
419 C A -1.6630
420 G A -1.6408
421 R A -1.8876
422 G A -1.0486
423 Y A -1.3375
424 T A -1.2441
425 G A -1.2716
426 P A -1.3139
427 R A -1.9438
428 C A 0.0000
429 E A -1.3609
430 T A 0.0000
431 D A -0.6475
432 V A -0.1460
433 N A 0.0000
434 E A 0.0000
435 C A 0.1638
436 L A 0.7243
437 S A 0.2228
438 G A -0.4204
439 P A -0.4546
440 C A -1.3056
441 R A -2.7738
442 N A -2.6100
443 Q A -2.0312
444 A A -1.0661
445 T A -0.4201
446 C A 0.0000
447 L A 0.0000
448 D A -1.4074
449 R A -1.5245
450 I A 0.4370
451 G A -0.3542
452 Q A -0.6750
453 F A 0.0000
454 T A -0.5447
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 0.1526
459 A A 0.1247
460 G A 0.0000
461 F A -0.2544
462 T A 0.0000
463 G A 0.0000
464 T A -0.1617
465 Y A -0.3425
466 C A 0.0000
467 E A -1.9293
468 V A -0.5908
469 D A -0.7134
470 I A -0.7627
471 D A -1.3435
472 E A -1.1282
473 C A 0.0000
474 Q A -0.9277
475 S A -0.6733
476 S A -0.5304
477 P A -0.1604
478 C A 0.0000
479 V A 1.1688
480 N A 0.1393
481 G A -0.2498
482 G A 0.0000
483 V A 0.7254
484 C A 0.0000
485 K A -1.7609
486 D A -2.0285
487 R A -1.6124
488 V A 0.6194
489 N A -0.3486
490 G A -0.5744
491 F A -0.6848
492 S A -0.7486
493 C A 0.1595
494 T A 0.2736
495 C A 0.6165
496 P A -0.0837
497 S A -0.2006
498 G A 0.1460
499 F A 1.0837
500 S A 0.2720
501 G A -0.4667
502 S A -0.7019
503 T A -0.4499
504 C A 0.0000
505 Q A 0.0000
506 L A 0.0000
507 D A 0.0000
508 V A 0.7621
509 D A -1.3610
510 E A -2.2197
511 C A -1.1379
512 A A -0.9356
513 S A -0.5522
514 T A -0.4123
515 P A -0.8562
516 C A -0.4561
517 R A -2.4126
518 N A -2.4912
519 G A -2.2993
520 A A -2.5917
521 K A -2.6216
522 C A -1.5079
523 V A -1.5032
524 D A -2.9531
525 Q A -2.8263
526 P A -2.4645
527 D A -3.0664
528 G A -2.3731
529 Y A -1.9212
530 E A -2.3564
531 C A -1.7309
532 R A -3.0213
533 C A -2.3694
534 A A -2.1119
535 E A -2.7730
536 G A -1.5157
537 F A -0.6599
538 E A -0.8062
539 G A -0.6516
540 T A 0.2161
541 L A 0.6444
542 C A 0.0000
543 D A -1.2422
544 R A -0.1128
545 N A -0.0481
546 V A 0.7631
547 D A -0.5003
548 D A -1.5630
549 C A -0.9603
550 S A -1.1635
551 P A -1.7986
552 D A -2.3051
553 P A -1.7830
554 C A -1.7859
555 H A -1.8978
556 H A -1.9592
557 G A -1.6684
558 R A -1.7664
559 C A -0.6880
560 V A 0.2197
561 D A -0.5116
562 G A 0.4912
563 I A 1.4045
564 A A 0.5089
565 S A 0.0000
566 F A 0.0489
567 S A -0.2199
568 C A 0.0000
569 A A -0.3866
570 C A -0.5040
571 A A -0.1469
572 P A 0.1633
573 G A 0.2990
574 Y A 0.9652
575 T A 0.0000
576 G A 0.1459
577 T A 0.1113
578 R A 0.0000
579 C A -0.8220
580 E A -1.5044
581 S A -0.9588
582 Q A -0.2908
583 V A 0.4082
584 D A -1.4784
585 E A -1.5679
586 C A -1.0766
587 R A -2.7161
588 S A -1.4141
589 Q A -2.1653
590 P A -1.6598
591 C A -1.4717
592 R A -2.1020
593 H A -2.5486
594 G A -2.0515
595 G A -2.0673
596 K A -2.2643
597 C A -1.0868
598 L A 0.3218
599 D A -0.9307
600 L A 1.0951
601 V A 1.3289
602 D A -0.6726
603 K A -1.1782
604 Y A -0.7960
605 L A -0.0816
606 C A -0.7921
607 R A -1.5122
608 C A 0.0000
609 P A -0.7855
610 S A -0.6987
611 G A -0.6020
612 T A 0.2853
613 T A 0.9173
614 G A 1.1355
615 V A 1.0550
616 N A -0.1122
617 C A -0.0126
618 E A 0.0000
619 V A 2.0753
620 N A 0.9092
621 I A 1.3560
622 D A -0.9651
623 D A -1.8947
624 C A -0.7996
625 A A -0.7407
626 S A -0.7432
627 N A -1.2878
628 P A -0.4884
629 C A 0.0000
630 T A 0.6313
631 F A 1.4997
632 G A 1.2151
633 V A 1.8581
634 C A 0.5065
635 R A -1.5507
636 D A -1.5797
637 G A 0.0000
638 I A 0.0000
639 N A -2.4034
640 R A -2.3839
641 Y A -1.4324
642 D A -0.5754
643 C A 0.0000
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2258 P A -0.2479
2259 S A -0.4734
2260 P A -0.2705
2261 P A -0.0818
2262 S A 0.0469
2263 L A 0.4429
2264 S A 0.0000
2265 D A 0.0000
2266 W A 0.8669
2267 S A 0.1074
2268 E A -0.2425
2269 S A -0.5410
2270 T A -0.3447
2271 P A -0.5333
2272 S A 0.0000
2273 P A -0.5308
2274 A A -0.1806
2275 T A 0.0851
2276 A A -0.0638
2277 T A 0.0000
2278 G A -0.4501
2279 A A 0.0004
2280 M A 0.2571
2281 A A 0.0596
2282 T A 0.0777
2283 T A 0.0282
2284 T A 0.0000
2285 G A -0.2906
2286 A A -0.1399
2287 L A 0.0000
2288 P A -0.8248
2289 A A -0.6499
2290 Q A -0.9482
2291 P A -0.0318
2292 L A 1.2462
2293 P A 1.1999
2294 L A 2.0252
2295 S A 1.4952
2296 V A 1.8403
2297 P A 1.0826
2298 S A 0.7665
2299 S A 1.1220
2300 L A 1.5017
2301 A A 0.4372
2302 Q A -0.4414
2303 A A -0.9496
2304 Q A -0.2898
2305 T A -0.8011
2306 Q A -0.7136
2307 L A 0.2882
2308 G A 0.0000
2309 P A -0.4177
2310 Q A 0.0000
2311 P A -0.8508
2312 E A -1.0289
2313 V A 0.2788
2314 T A -0.6624
2315 P A -1.4582
2316 K A -2.6586
2317 R A -2.8979
2318 Q A -2.4889
2319 V A -0.6202
2320 L A 0.3120
2321 A A -0.0076
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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, -0.5777 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 -0.5777 View CSV PDB
model_1 -0.5797 View CSV PDB
model_7 -0.5868 View CSV PDB
model_2 -0.5904 View CSV PDB
model_5 -0.5977 View CSV PDB
model_0 -0.5999 View CSV PDB
model_6 -0.6031 View CSV PDB
model_8 -0.6057 View CSV PDB
CABS_average -0.606 View CSV PDB
model_3 -0.6196 View CSV PDB
model_9 -0.6244 View CSV PDB
model_10 -0.6429 View CSV PDB
model_11 -0.6434 View CSV PDB
input -0.759 View CSV PDB