Project name: R153C_4D

Status: done

Started: 2026-05-08 01:41:28
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGCSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:24:07)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:46:46)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:47:32)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:48:19)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:49:06)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:49:52)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:50:51)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:51:54)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:52:40)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:53:24)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:54:08)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:54:53)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:55:38)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:56:23)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (12:57:50)
[INFO]       Main:     Simulation completed successfully.                                          (12:58:33)
Show buried residues

Minimal score value
-4.7291
Maximal score value
4.7274
Average score
-0.6057
Total score value
-1405.9051

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 0.8730
2 G A 0.2566
3 P A -0.3227
4 G A -0.6752
5 A A -1.5013
6 R A -3.1877
7 G A -4.0042
8 R A -4.5803
9 R A -4.1734
10 R A -4.2353
11 R A -4.2616
12 R A -4.2872
13 R A -3.2754
14 P A -1.5904
15 M A -0.8064
16 S A 0.0000
17 P A -0.5361
18 P A -0.6241
19 P A -0.7647
20 P A -0.9371
21 P A -0.8051
22 P A -0.7109
23 P A -0.7563
24 V A 0.2614
25 R A -0.8940
26 A A 0.5543
27 L A 1.5791
28 P A 1.8466
29 L A 2.9376
30 L A 3.2573
31 L A 2.4168
32 L A 2.1823
33 L A 2.3466
34 A A 1.2127
35 G A -0.1320
36 P A -0.4324
37 G A -0.8292
38 A A -0.9385
39 A A -0.9197
40 A A -1.0286
41 P A -1.0505
42 P A -0.5597
43 C A 0.0000
44 L A -0.0039
45 D A -1.4617
46 G A -0.9552
47 S A -1.0487
48 P A -0.8947
49 C A 0.0000
50 A A -0.8764
51 N A -1.5319
52 G A -1.1390
53 G A -1.4120
54 R A -1.7544
55 C A -0.6415
56 T A -0.6537
57 Q A -0.5821
58 L A -0.0390
59 P A -0.4627
60 S A -1.2305
61 R A -2.4863
62 E A -2.5981
63 A A -1.1584
64 A A -1.0723
65 C A 0.0000
66 L A -0.6681
67 C A 0.0000
68 P A -0.6916
69 P A -0.7507
70 G A -1.1929
71 W A -1.1347
72 V A -1.3092
73 G A -1.5170
74 E A -2.3073
75 R A -2.0896
76 C A 0.0000
77 Q A -2.0867
78 L A 0.0000
79 E A -2.1692
80 D A -2.3608
81 P A -1.7131
82 C A -1.5949
83 H A -2.1158
84 S A -1.4848
85 G A -0.9647
86 P A -0.9872
87 C A 0.0000
88 A A -0.8504
89 G A -1.3349
90 R A -2.0916
91 G A -1.3352
92 V A -0.8280
93 C A -0.8960
94 Q A -1.3720
95 S A -0.9921
96 S A -0.8843
97 V A -0.5906
98 V A 0.2766
99 A A -0.1822
100 G A -0.8068
101 T A -0.9200
102 A A 0.0000
103 R A -2.4061
104 F A 0.0000
105 S A -1.2443
106 C A 0.0000
107 R A -1.9828
108 C A -1.4311
109 P A -1.5261
110 R A -2.2625
111 G A -1.0306
112 F A 0.2907
113 R A -0.7712
114 G A -0.7694
115 P A -1.5358
116 D A -2.4006
117 C A 0.0000
118 S A -1.0133
119 L A -0.3885
120 P A -1.1012
121 D A -1.2446
122 P A -0.2887
123 C A 0.6439
124 L A 1.4647
125 S A 0.0050
126 S A 0.0618
127 P A 0.3784
128 C A 0.2871
129 A A -0.1388
130 H A -0.7413
131 G A -0.3940
132 A A -1.0737
133 R A -1.4721
134 C A 0.2823
135 S A 0.5240
136 V A 0.5769
137 G A -0.6290
138 P A -1.2962
139 D A -2.4858
140 G A -1.8773
141 R A -1.9939
142 F A 0.2940
143 L A 1.2327
144 C A 0.0000
145 S A -0.2978
146 C A 0.0000
147 P A -0.5208
148 P A -0.6665
149 G A -0.9307
150 Y A 0.2097
151 Q A 0.0000
152 G A -0.2567
153 C A 0.0039
154 S A -0.1600
155 C A -0.1018
156 R A -0.9004
157 S A -1.0190
158 D A -1.7820
159 V A -1.7382
160 D A -2.4869
161 E A -1.8628
162 C A -0.9611
163 R A -2.0621
164 V A -0.5025
165 G A -0.8557
166 E A -1.0598
167 P A -1.0800
168 C A -1.0399
169 R A -2.6789
170 H A -2.0886
171 G A -1.5791
172 G A -1.3339
173 T A -1.1556
174 C A -0.4713
175 L A -0.2150
176 N A -1.3773
177 T A -1.0851
178 P A -1.4520
179 G A -1.3329
180 S A -0.8466
181 F A -0.6968
182 R A -1.4011
183 C A -0.7346
184 Q A -0.7156
185 C A -0.3997
186 P A 0.1783
187 A A 0.3522
188 G A 0.0000
189 Y A 0.7849
190 T A 0.1648
191 G A 0.0000
192 P A -0.1795
193 L A 0.3291
194 C A 0.0000
195 E A -1.7802
196 N A -0.7275
197 P A -0.0839
198 A A 0.2681
199 V A 0.8959
200 P A 0.3605
201 C A -0.2079
202 A A 0.0672
203 P A -0.8347
204 S A -0.7290
205 P A -1.0275
206 C A -1.2480
207 R A -1.7254
208 N A -1.4870
209 G A -1.1473
210 G A -1.1729
211 T A -1.1520
212 C A -1.4015
213 R A -2.5620
214 Q A -2.4942
215 S A -1.7552
216 G A -1.4275
217 D A -1.8226
218 L A -0.3180
219 T A -0.8609
220 Y A -1.3548
221 D A -1.7889
222 C A -1.4876
223 A A -0.7053
224 C A 0.0000
225 L A 0.4654
226 P A 0.4616
227 G A 0.5958
228 F A 1.0947
229 E A -1.0054
230 G A -1.7684
231 Q A -2.1062
232 N A -2.0936
233 C A -1.2207
234 E A -0.8350
235 V A 0.1924
236 N A 0.0000
237 V A 0.7001
238 D A -0.8421
239 D A -0.4127
240 C A 0.2148
241 P A -0.3198
242 G A -0.7212
243 H A -0.7845
244 R A -1.7376
245 C A -0.6889
246 L A 0.1868
247 N A -0.9666
248 G A -0.7757
249 G A -0.8547
250 T A -0.6390
251 C A 0.2048
252 V A 0.3459
253 D A 0.1554
254 G A 0.6703
255 V A 1.4768
256 N A 0.2553
257 T A 0.6172
258 Y A 0.9830
259 N A -0.1003
260 C A 0.0000
261 Q A -0.3167
262 C A 0.0000
263 P A -0.9105
264 P A -1.5053
265 E A -2.6126
266 W A -1.4125
267 T A -1.0107
268 G A -0.5780
269 Q A -0.3066
270 F A 0.8477
271 C A -0.4146
272 T A -1.1618
273 E A -2.1710
274 D A -2.1555
275 V A -1.5218
276 D A -1.7474
277 E A -1.4754
278 C A 0.0000
279 Q A -1.3898
280 L A -0.3532
281 Q A -1.7624
282 P A -1.4799
283 N A -1.9624
284 A A -1.7019
285 C A 0.0000
286 H A -1.8565
287 N A -2.0990
288 G A 0.0000
289 G A -0.5678
290 T A -0.3945
291 C A -0.8110
292 F A -0.0302
293 N A -0.3941
294 T A 0.2073
295 L A 0.6370
296 G A -0.5091
297 G A -0.3158
298 H A -1.1512
299 S A -0.8004
300 C A 0.0000
301 V A 0.0000
302 C A 0.0000
303 V A -0.2389
304 N A 0.0000
305 G A 0.0000
306 W A -0.8892
307 T A 0.0000
308 G A -1.8579
309 E A -2.2711
310 S A -1.8579
311 C A 0.0000
312 S A -1.6372
313 Q A -1.8621
314 N A -1.7549
315 I A -1.1016
316 D A -1.8082
317 D A 0.0000
318 C A -0.5862
319 A A 0.0416
320 T A 0.0230
321 A A 0.0000
322 V A 0.0000
323 C A 0.0000
324 F A 0.0000
325 H A -1.1980
326 G A -0.8795
327 A A 0.0000
328 T A -0.6343
329 C A -1.0011
330 H A -1.8328
331 D A -2.6016
332 R A -2.1923
333 V A -1.6022
334 A A 0.0000
335 S A -1.0861
336 F A 0.0000
337 Y A -0.3247
338 C A 0.0000
339 A A -0.3655
340 C A 0.0000
341 P A -0.3292
342 M A 0.6066
343 G A 0.0000
344 K A -0.9720
345 T A -0.3323
346 G A -0.4179
347 L A 0.2652
348 L A 1.2169
349 C A 0.0000
350 H A -0.7923
351 L A -1.0902
352 D A 0.0000
353 D A -0.5221
354 A A 0.0000
355 C A 0.5162
356 V A 1.4320
357 S A 0.1741
358 N A -0.1431
359 P A -0.1846
360 C A -0.8840
361 H A -1.8171
362 E A -2.3958
363 D A -1.1750
364 A A -0.0677
365 I A 0.6907
366 C A 0.0000
367 D A -0.2326
368 T A 0.0000
369 N A 0.0000
370 P A -0.1840
371 V A 1.1196
372 N A 0.2216
373 G A -0.7824
374 R A 0.0000
375 A A 0.0000
376 I A 0.0000
377 C A -0.1159
378 T A -0.2435
379 C A -0.7187
380 P A -0.7036
381 P A -1.3269
382 G A -1.3601
383 F A -1.1329
384 T A 0.0000
385 G A 0.0000
386 G A -1.2962
387 A A -0.8786
388 C A 0.0000
389 D A -1.7849
390 Q A 0.0000
391 D A -2.2140
392 V A 0.0000
393 D A -2.1293
394 E A -1.9524
395 C A -0.3349
396 S A 0.2288
397 I A 0.2252
398 G A 0.0097
399 A A -0.1234
400 N A -0.7196
401 P A -0.3205
402 C A 0.0000
403 E A 0.0000
404 H A 0.0000
405 L A -0.6767
406 G A -1.8367
407 R A -1.7063
408 C A -0.0807
409 V A 0.6011
410 N A -0.5595
411 T A -0.9443
412 Q A -2.0876
413 G A -1.8402
414 S A -0.6686
415 F A 0.1481
416 L A 1.2282
417 C A 0.3692
418 Q A -0.6933
419 C A 0.0000
420 G A -1.2680
421 R A -2.0047
422 G A -1.6809
423 Y A 0.0000
424 T A -0.7584
425 G A -0.5235
426 P A -0.2733
427 R A -0.1500
428 C A 0.0000
429 E A -0.4916
430 T A 0.0000
431 D A 0.0000
432 V A -0.8185
433 N A -1.5736
434 E A -1.7493
435 C A -0.3494
436 L A 0.0859
437 S A -0.3703
438 G A -0.7585
439 P A -0.7411
440 C A 0.0000
441 R A -2.3591
442 N A -2.0208
443 Q A -1.2244
444 A A -0.9848
445 T A -0.4874
446 C A -0.1168
447 L A 0.0000
448 D A 0.0000
449 R A -1.0240
450 I A -1.1388
451 G A -1.7488
452 Q A -1.6867
453 F A -0.7297
454 T A -0.0031
455 C A 0.0000
456 I A -0.2453
457 C A 0.0000
458 M A -0.5171
459 A A 0.0000
460 G A -1.0282
461 F A 0.0000
462 T A 0.0000
463 G A -0.2335
464 T A -0.0029
465 Y A 0.3019
466 C A 0.0000
467 E A -1.1261
468 V A -1.1164
469 D A -2.1865
470 I A 0.0000
471 D A -2.6919
472 E A -1.9245
473 C A -1.3457
474 Q A -2.0907
475 S A -1.0164
476 S A -0.2728
477 P A 0.2574
478 C A 0.8891
479 V A 1.0404
480 N A -0.0760
481 G A -0.0874
482 G A 0.6291
483 V A 1.1133
484 C A -0.1957
485 K A -1.4407
486 D A -1.9454
487 R A -0.9012
488 V A -0.1084
489 N A -0.3903
490 G A 0.1118
491 F A 0.4542
492 S A -0.0476
493 C A 0.0131
494 T A 0.3125
495 C A 0.5487
496 P A 0.4116
497 S A -0.4599
498 G A -0.4955
499 F A 0.8277
500 S A -0.0367
501 G A 0.0000
502 S A -0.5631
503 T A -0.3821
504 C A 0.0000
505 Q A -0.8694
506 L A -0.5842
507 D A -1.8761
508 V A -1.8280
509 D A -2.8605
510 E A -1.9618
511 C A -0.4983
512 A A -0.1115
513 S A -0.1985
514 T A -0.3500
515 P A -0.5655
516 C A 0.0000
517 R A -2.9046
518 N A -2.5629
519 G A -2.4144
520 A A 0.0000
521 K A -2.7644
522 C A -1.4350
523 V A -1.1054
524 D A -1.9810
525 Q A -2.2784
526 P A -1.8400
527 D A -2.0343
528 G A -1.6667
529 Y A -1.5468
530 E A -2.1107
531 C A -1.5527
532 R A -2.4393
533 C A -2.5286
534 A A -2.2205
535 E A -2.8372
536 G A -1.4889
537 F A -2.2214
538 E A -2.5551
539 G A -1.6256
540 T A -0.5981
541 L A 0.6029
542 C A -0.7769
543 D A -2.0635
544 R A -3.0666
545 N A -1.9893
546 V A 0.1037
547 D A -0.5239
548 D A -1.1206
549 C A -0.7306
550 S A -0.9989
551 P A -1.2813
552 D A -1.9905
553 P A -1.6013
554 C A -1.3137
555 H A -2.1329
556 H A -2.3165
557 G A -1.9991
558 R A -1.7288
559 C A -0.0198
560 V A 0.5975
561 D A -0.8839
562 G A -0.1915
563 I A 1.6665
564 A A 0.4681
565 S A -0.1442
566 F A 0.3107
567 S A 0.0000
568 C A 0.0000
569 A A -0.6512
570 C A -1.0683
571 A A -0.1953
572 P A -0.2320
573 G A 0.0730
574 Y A 0.8242
575 T A -0.1694
576 G A -0.5261
577 T A -0.7628
578 R A -1.6846
579 C A 0.0000
580 E A -1.8042
581 S A -0.7802
582 Q A 0.1665
583 V A 1.0315
584 D A -0.6135
585 E A -1.6586
586 C A 0.0000
587 R A -2.9429
588 S A -2.0380
589 Q A -2.5080
590 P A -2.4747
591 C A 0.0000
592 R A -3.4540
593 H A -2.3998
594 G A -1.8879
595 G A -2.2945
596 K A -2.8885
597 C A -1.5244
598 L A 0.1407
599 D A -0.1839
600 L A 1.6333
601 V A 1.2358
602 D A -1.2036
603 K A -0.8170
604 Y A 0.5769
605 L A 1.2130
606 C A -0.3500
607 R A -1.7427
608 C A 0.0000
609 P A -0.9758
610 S A -1.0670
611 G A -1.0208
612 T A -0.4763
613 T A -0.3221
614 G A 0.0795
615 V A 0.5835
616 N A -1.2319
617 C A -1.1836
618 E A 0.0000
619 V A -0.4697
620 N A -1.4441
621 I A -1.0990
622 D A -2.2842
623 D A -2.1810
624 C A -0.6994
625 A A -0.3863
626 S A -0.3978
627 N A -0.6319
628 P A -0.3569
629 C A 0.4567
630 T A 1.0797
631 F A 1.9989
632 G A 1.6049
633 V A 1.9833
634 C A 0.1561
635 R A -1.1631
636 D A -1.6312
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1982 E A -2.0840
1983 G A -1.8577
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1991 L A 0.0000
1992 L A -1.2611
1993 D A -1.9744
1994 H A -1.0285
1995 F A -0.3794
1996 A A 0.0000
1997 N A 0.0000
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1999 E A -1.0475
2000 I A 0.0000
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2002 D A -2.0532
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2010 D A -3.4328
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.5964
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2016 L A -1.0906
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2018 Q A -3.2560
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2246 T A -0.1815
2247 P A -0.8957
2248 S A -1.1024
2249 P A -1.2460
2250 E A -1.6771
2251 S A -0.8110
2252 P A -0.2962
2253 E A -0.2570
2254 H A -0.2955
2255 W A 0.4683
2256 A A 0.1803
2257 S A -0.0793
2258 P A -0.3552
2259 S A -0.4172
2260 P A -0.7604
2261 P A -0.5491
2262 S A -0.5527
2263 L A -0.2576
2264 S A -0.8151
2265 D A -1.7062
2266 W A -0.4301
2267 S A -0.9121
2268 E A -1.7704
2269 S A 0.0000
2270 T A 0.0000
2271 P A -0.3010
2272 S A -0.1166
2273 P A -0.8236
2274 A A -0.4146
2275 T A -0.4338
2276 A A 0.0759
2277 T A -0.1709
2278 G A -0.2803
2279 A A 0.0055
2280 M A 0.3225
2281 A A -0.4353
2282 T A -0.5732
2283 T A -0.4379
2284 T A 0.0000
2285 G A 0.0000
2286 A A 0.9778
2287 L A 1.3584
2288 P A 0.3899
2289 A A 0.0739
2290 Q A 0.0000
2291 P A 0.5970
2292 L A 1.6364
2293 P A 1.3611
2294 L A 2.1979
2295 S A 1.3936
2296 V A 1.7609
2297 P A 0.6299
2298 S A 0.5308
2299 S A 0.0000
2300 L A 1.2345
2301 A A 0.3041
2302 Q A -0.4845
2303 A A -0.2514
2304 Q A -0.6176
2305 T A -0.8073
2306 Q A -1.1346
2307 L A 0.0000
2308 G A -1.0651
2309 P A -1.0082
2310 Q A -1.5308
2311 P A -0.4860
2312 E A -1.2727
2313 V A 0.9926
2314 T A -0.3458
2315 P A -0.7393
2316 K A -1.9080
2317 R A -2.4588
2318 Q A -1.3921
2319 V A 0.1549
2320 L A 1.1280
2321 A A 0.5007
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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, -0.6057 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 -0.6057 View CSV PDB
model_1 -0.6268 View CSV PDB
model_3 -0.6339 View CSV PDB
model_0 -0.6385 View CSV PDB
model_9 -0.6406 View CSV PDB
model_7 -0.642 View CSV PDB
model_6 -0.649 View CSV PDB
CABS_average -0.652 View CSV PDB
model_10 -0.6607 View CSV PDB
model_11 -0.6695 View CSV PDB
model_2 -0.6749 View CSV PDB
model_5 -0.678 View CSV PDB
model_8 -0.704 View CSV PDB
input -0.7623 View CSV PDB