Project name: C338R

Status: done

Started: 2026-05-06 07:03:18
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYRACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[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                                          (00:00:04)
[INFO]       CABS:     Running CABS flex simulation                                                (00:34:04)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (10:34:59)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (10:35:38)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (10:36:16)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (10:36:55)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (10:37:34)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (10:38:12)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (10:38:50)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (10:39:29)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (10:40:07)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (10:40:46)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (10:41:24)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (10:42:04)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (10:42:42)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (10:43:59)
[INFO]       Main:     Simulation completed successfully.                                          (10:44:36)
Show buried residues

Minimal score value
-4.1969
Maximal score value
6.0666
Average score
-0.5604
Total score value
-1300.7292

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 0.8262
2 G A -0.6532
3 P A -0.9306
4 G A -1.1011
5 A A -1.3525
6 R A -2.3753
7 G A -2.3788
8 R A -3.1043
9 R A -3.0440
10 R A -3.7643
11 R A -4.1969
12 R A -4.1576
13 R A -3.2784
14 P A -1.4315
15 M A -0.1160
16 S A 0.0000
17 P A 0.0000
18 P A -1.0545
19 P A 0.0000
20 P A -0.4374
21 P A -1.3185
22 P A 0.0000
23 P A -0.4619
24 V A -0.4211
25 R A -1.5592
26 A A -0.3820
27 L A 1.2116
28 P A 0.8860
29 L A 1.1520
30 L A 0.2735
31 L A 0.0000
32 L A 0.2207
33 L A -0.0075
34 A A 0.8355
35 G A 0.5141
36 P A 0.1681
37 G A -0.5900
38 A A -0.7488
39 A A 0.0000
40 A A -0.2348
41 P A -1.1624
42 P A -1.8382
43 C A 0.0000
44 L A -1.8796
45 D A -2.5212
46 G A -1.5660
47 S A -1.2262
48 P A -1.1155
49 C A -0.6709
50 A A -0.4000
51 N A -1.0611
52 G A 0.0000
53 G A -1.0266
54 R A -1.5763
55 C A -0.4472
56 T A -1.1039
57 Q A -1.6987
58 L A 0.0000
59 P A -1.5165
60 S A -1.5219
61 R A -2.6265
62 E A -3.1305
63 A A -1.9402
64 A A 0.0000
65 C A 0.0000
66 L A 0.0000
67 C A -0.5736
68 P A -0.7977
69 P A -0.6707
70 G A 0.0000
71 W A -1.1990
72 V A 0.0000
73 G A -1.1721
74 E A -2.1177
75 R A -2.6121
76 C A 0.0000
77 Q A -2.0543
78 L A 0.0000
79 E A -1.2275
80 D A 0.0000
81 P A -0.7793
82 C A -0.6665
83 H A -0.9120
84 S A -0.7280
85 G A -0.9623
86 P A -1.0722
87 C A 0.0000
88 A A 0.0000
89 G A 0.0000
90 R A -0.3180
91 G A -0.1662
92 V A 0.5966
93 C A -0.8089
94 Q A -1.4028
95 S A -0.9016
96 S A -0.7870
97 V A -0.3574
98 V A 0.5865
99 A A -0.3704
100 G A -0.7269
101 T A -0.2694
102 A A -0.8255
103 R A -2.0528
104 F A 0.0000
105 S A -1.5011
106 C A 0.0000
107 R A -1.6873
108 C A 0.0000
109 P A -0.7041
110 R A -0.8235
111 G A -0.2181
112 F A 0.2445
113 R A 0.0000
114 G A -0.7948
115 P A -0.9766
116 D A -0.4935
117 C A 0.5192
118 S A 0.3114
119 L A 0.4629
120 P A -0.1544
121 D A -0.2849
122 P A 0.0053
123 C A 0.1714
124 L A 1.5297
125 S A 0.6486
126 S A 0.1448
127 P A -0.4908
128 C A -0.5270
129 A A -0.4761
130 H A -1.0915
131 G A -1.0198
132 A A -1.1242
133 R A -1.2291
134 C A 0.2804
135 S A 0.6925
136 V A 0.7837
137 G A -0.5141
138 P A -1.2141
139 D A -2.3676
140 G A -2.0049
141 R A -1.3264
142 F A 0.8243
143 L A 0.8860
144 C A -0.0006
145 S A -0.8022
146 C A 0.0000
147 P A -0.9029
148 P A -0.5763
149 G A -0.9527
150 Y A -1.1615
151 Q A -2.0109
152 G A -1.5613
153 R A -1.4601
154 S A -0.8058
155 C A -0.7560
156 R A -1.9547
157 S A -1.1411
158 D A 0.0000
159 V A -1.3069
160 D A -1.6996
161 E A -1.3893
162 C A 0.0000
163 R A -2.1019
164 V A -0.1086
165 G A -1.0186
166 E A -2.4816
167 P A -2.0691
168 C A -2.2913
169 R A -2.8505
170 H A -1.8219
171 G A -1.2237
172 G A -0.8852
173 T A -0.8980
174 C A -1.0661
175 L A -0.3139
176 N A -1.5649
177 T A -0.9575
178 P A -0.7635
179 G A -0.7817
180 S A -0.6987
181 F A -0.8474
182 R A -1.6924
183 C A -1.3189
184 Q A -1.5221
185 C A -1.4142
186 P A 0.0000
187 A A -0.5889
188 G A -0.8031
189 Y A -1.0827
190 T A -1.0224
191 G A -1.0062
192 P A -0.6154
193 L A -0.1918
194 C A -1.7390
195 E A -2.6900
196 N A -1.5906
197 P A -0.7378
198 A A 0.3308
199 V A 1.2327
200 P A 0.1324
201 C A -0.2772
202 A A 0.0000
203 P A -0.1164
204 S A -1.0639
205 P A -1.9843
206 C A -1.8720
207 R A -2.9557
208 N A -2.4548
209 G A -1.4353
210 G A -1.1063
211 T A -0.7291
212 C A -1.2221
213 R A -2.6560
214 Q A -2.5177
215 S A -2.0468
216 G A -1.8990
217 D A -1.9201
218 L A -0.5787
219 T A -1.2899
220 Y A 0.0000
221 D A -2.6297
222 C A 0.0000
223 A A -0.5443
224 C A 0.0000
225 L A 1.1130
226 P A 0.8037
227 G A 0.9123
228 F A 0.7945
229 E A -1.8019
230 G A -2.1437
231 Q A -2.7661
232 N A -2.8961
233 C A 0.0000
234 E A -2.7238
235 V A -1.2769
236 N A 0.0000
237 V A 0.7772
238 D A 0.0284
239 D A -0.6784
240 C A 0.0000
241 P A -0.8710
242 G A -1.2435
243 H A -1.5523
244 R A -1.4649
245 C A -0.5304
246 L A 0.1882
247 N A -1.2484
248 G A -0.8568
249 G A -0.7470
250 T A -0.4565
251 C A 0.1639
252 V A 0.3722
253 D A -0.3672
254 G A -0.7362
255 V A 0.0000
256 N A -1.2945
257 T A -0.5457
258 Y A 0.2863
259 N A -0.3964
260 C A -0.6366
261 Q A -0.7098
262 C A 0.0000
263 P A -1.0274
264 P A -1.7160
265 E A -2.1087
266 W A -0.6759
267 T A -0.4044
268 G A -0.6402
269 Q A -1.3788
270 F A -0.9288
271 C A 0.0000
272 T A 0.0000
273 E A -1.8425
274 D A -1.8249
275 V A 0.0000
276 D A -2.6961
277 E A -1.6562
278 C A -1.2178
279 Q A -1.7927
280 L A -1.4765
281 Q A -1.7834
282 P A -1.0066
283 N A 0.0000
284 A A -0.0619
285 C A 0.0000
286 H A 0.0000
287 N A -0.7671
288 G A -0.4478
289 G A 0.2214
290 T A 0.7260
291 C A 0.5822
292 F A 1.4281
293 N A -0.0504
294 T A 0.5478
295 L A 0.6246
296 G A -0.4378
297 G A -0.2915
298 H A -0.3024
299 S A 0.0779
300 C A 0.0000
301 V A 1.9695
302 C A 1.2024
303 V A 1.3352
304 N A -0.3207
305 G A -1.0493
306 W A -0.7363
307 T A -0.6978
308 G A -0.5087
309 E A -1.4262
310 S A -0.8767
311 C A -0.2814
312 S A -1.1352
313 Q A -1.7983
314 N A -1.4361
315 I A 0.0000
316 D A -2.1069
317 D A -1.4903
318 C A -0.2993
319 A A -0.1776
320 T A 0.2697
321 A A 0.6822
322 V A 1.0157
323 C A 0.8245
324 F A 0.7568
325 H A -0.3400
326 G A -0.3883
327 A A 0.0099
328 T A -0.0340
329 C A 0.3840
330 H A -0.6784
331 D A -2.0628
332 R A -1.6528
333 V A -0.8548
334 A A 0.0000
335 S A 0.0000
336 F A -0.5842
337 Y A -0.3802
338 R A 0.2313
339 A A -0.0314
340 C A 0.0000
341 P A -0.4903
342 M A 0.0000
343 G A -1.4903
344 K A -0.9467
345 T A -0.3567
346 G A 0.0000
347 L A 0.0000
348 L A 1.0962
349 C A 0.8804
350 H A 0.2475
351 L A 0.0817
352 D A -1.3970
353 D A -1.2112
354 A A 0.0000
355 C A 0.0000
356 V A 0.3304
357 S A -0.3474
358 N A -0.4415
359 P A -0.5944
360 C A 0.0000
361 H A -1.4327
362 E A -2.3246
363 D A -1.7364
364 A A -0.4379
365 I A -0.1067
366 C A -0.0919
367 D A -0.8583
368 T A -0.5743
369 N A -0.5101
370 P A -0.1794
371 V A 0.0000
372 N A 0.0000
373 G A 0.0000
374 R A -0.9711
375 A A 0.0000
376 I A -0.1267
377 C A 0.0000
378 T A -0.0933
379 C A 0.0000
380 P A -0.3548
381 P A -0.4260
382 G A -0.3396
383 F A 0.1838
384 T A -0.1873
385 G A 0.0000
386 G A -0.9839
387 A A -0.7283
388 C A -0.7218
389 D A -1.9257
390 Q A -1.0606
391 D A 0.0000
392 V A -0.1532
393 D A -0.8353
394 E A -0.6355
395 C A -0.1860
396 S A 0.2302
397 I A 0.4444
398 G A -0.2618
399 A A 0.0000
400 N A -1.6703
401 P A -1.6363
402 C A -1.3476
403 E A -2.0893
404 H A -1.7118
405 L A -0.3598
406 G A -1.0721
407 R A -1.3639
408 C A 0.0284
409 V A 0.3249
410 N A -0.7437
411 T A -0.8109
412 Q A -1.5973
413 G A 0.0000
414 S A -0.5313
415 F A 0.0000
416 L A 0.4327
417 C A 0.0000
418 Q A -0.7235
419 C A -1.2127
420 G A -1.2186
421 R A -1.8997
422 G A -1.4003
423 Y A -0.4070
424 T A -0.8443
425 G A -0.6787
426 P A -1.0687
427 R A -1.7584
428 C A 0.0000
429 E A -2.5621
430 T A -2.0508
431 D A -2.6902
432 V A -2.2464
433 N A -2.0343
434 E A -1.1167
435 C A 0.1899
436 L A 0.3082
437 S A 0.4611
438 G A -0.0667
439 P A -0.5078
440 C A 0.0000
441 R A -1.2949
442 N A -1.6111
443 Q A -0.1989
444 A A 0.7352
445 T A 0.6363
446 C A 0.6936
447 L A 0.5809
448 D A -1.3157
449 R A -1.5800
450 I A 0.0720
451 G A -0.8437
452 Q A -0.8357
453 F A 0.0000
454 T A 0.4264
455 C A 0.0000
456 I A 2.0854
457 C A 0.0000
458 M A 1.6709
459 A A 0.3979
460 G A -0.7592
461 F A 0.0000
462 T A -0.0662
463 G A 0.6358
464 T A 0.3557
465 Y A 0.0000
466 C A 0.0000
467 E A -0.9866
468 V A 0.0000
469 D A 0.0000
470 I A 0.0000
471 D A -2.7565
472 E A -2.2038
473 C A -1.4904
474 Q A -2.2092
475 S A -0.8212
476 S A -0.3391
477 P A -0.0575
478 C A 0.4946
479 V A 1.1405
480 N A -0.6285
481 G A -0.7722
482 G A -0.8548
483 V A -0.5464
484 C A -0.5082
485 K A -1.6050
486 D A -2.0207
487 R A -2.4709
488 V A 0.0000
489 N A -1.3467
490 G A -1.0210
491 F A 0.1582
492 S A -0.2729
493 C A 0.0000
494 T A 0.1024
495 C A 0.2159
496 P A -0.1444
497 S A -0.5656
498 G A -0.7227
499 F A -0.4028
500 S A -0.8634
501 G A -0.6704
502 S A -0.4170
503 T A -0.3422
504 C A 0.0000
505 Q A -1.4547
506 L A -0.8317
507 D A -2.1484
508 V A -1.9896
509 D A -3.3862
510 E A -3.1803
511 C A 0.0000
512 A A -0.9839
513 S A -0.8704
514 T A -0.3910
515 P A -0.4788
516 C A -1.4824
517 R A -2.7914
518 N A -2.7047
519 G A -1.9764
520 A A -1.5811
521 K A -1.9682
522 C A -1.0168
523 V A -1.3395
524 D A -2.5065
525 Q A -2.7070
526 P A -2.2799
527 D A -3.5493
528 G A -2.2678
529 Y A -1.3884
530 E A -1.5453
531 C A 0.0000
532 R A -1.6344
533 C A 0.0000
534 A A -1.9414
535 E A -2.3668
536 G A -1.7072
537 F A -0.9172
538 E A -2.2018
539 G A -1.2488
540 T A -0.5050
541 L A 0.6481
542 C A -0.8556
543 D A -1.8716
544 R A -2.5330
545 N A -2.5341
546 V A -1.4705
547 D A -2.6120
548 D A -1.9756
549 C A -1.4807
550 S A -1.4924
551 P A -2.2024
552 D A -2.8546
553 P A -1.5554
554 C A -1.1659
555 H A -1.9353
556 H A -1.7436
557 G A -1.4200
558 R A -2.1175
559 C A -1.1664
560 V A -0.6803
561 D A -1.5833
562 G A -0.1344
563 I A 1.4856
564 A A -0.1617
565 S A -0.4369
566 F A -0.7746
567 S A -1.2935
568 C A 0.0000
569 A A -0.7427
570 C A -0.2535
571 A A 0.2855
572 P A 0.3162
573 G A 0.3286
574 Y A 0.8280
575 T A -0.8024
576 G A -1.2877
577 T A 0.0000
578 R A -2.8617
579 C A -1.9286
580 E A -2.3575
581 S A -0.9596
582 Q A -0.6380
583 V A 0.3572
584 D A -1.2401
585 E A -1.9463
586 C A -1.8158
587 R A -2.3524
588 S A -1.5326
589 Q A -2.1805
590 P A -1.5851
591 C A -1.9733
592 R A -2.7169
593 H A -2.1139
594 G A -1.4483
595 G A -1.4376
596 K A -1.6674
597 C A -0.3043
598 L A 0.3579
599 D A -0.6393
600 L A 0.4509
601 V A 0.8441
602 D A -1.6798
603 K A -1.6120
604 Y A -0.8074
605 L A -0.0157
606 C A 0.0000
607 R A -1.6716
608 C A 0.0000
609 P A -1.5107
610 S A -1.5542
611 G A -1.8559
612 T A -1.3094
613 T A -1.1798
614 G A -0.4641
615 V A 0.0627
616 N A -1.3314
617 C A -1.6845
618 E A -2.5440
619 V A 0.0000
620 N A -3.1520
621 I A 0.0000
622 D A -3.6753
623 D A -3.6538
624 C A -1.8473
625 A A -1.2323
626 S A -0.9101
627 N A -1.4382
628 P A -0.3239
629 C A 0.9716
630 T A 1.4926
631 F A 2.3223
632 G A 1.8222
633 V A 1.8833
634 C A 0.0752
635 R A -2.1688
636 D A -3.3689
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1974 T A 0.0000
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1991 L A 0.0000
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1994 H A -1.6028
1995 F A -1.2326
1996 A A -1.2174
1997 N A -1.1005
1998 R A 0.0000
1999 E A -1.0919
2000 I A 0.0000
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2002 D A -1.3860
2003 H A -1.6293
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2011 V A 0.0000
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2014 E A -2.2855
2015 R A -2.1908
2016 L A -0.4921
2017 H A -1.7815
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2259 S A -0.1515
2260 P A 0.0000
2261 P A 0.2937
2262 S A 0.2537
2263 L A 1.0385
2264 S A -0.4090
2265 D A -1.2726
2266 W A -0.6368
2267 S A -0.6823
2268 E A -0.6056
2269 S A -0.4979
2270 T A -0.3580
2271 P A -0.4544
2272 S A -0.7814
2273 P A -0.8419
2274 A A -0.5589
2275 T A 0.0000
2276 A A 0.0354
2277 T A -0.1893
2278 G A -0.2082
2279 A A 0.3253
2280 M A 1.0024
2281 A A 0.5094
2282 T A 0.2198
2283 T A 0.2824
2284 T A 0.0830
2285 G A 0.0352
2286 A A 0.0000
2287 L A 0.8022
2288 P A -0.2450
2289 A A -0.3690
2290 Q A -0.6634
2291 P A 0.2437
2292 L A 1.3392
2293 P A 0.5676
2294 L A -0.0566
2295 S A -0.6870
2296 V A -0.4543
2297 P A -1.4136
2298 S A 0.0000
2299 S A 0.0000
2300 L A 0.0000
2301 A A 0.0000
2302 Q A -0.4701
2303 A A -0.7653
2304 Q A -1.1786
2305 T A -0.7170
2306 Q A -0.3623
2307 L A 0.4446
2308 G A -0.2965
2309 P A -0.7106
2310 Q A -0.9591
2311 P A -1.3382
2312 E A -2.5259
2313 V A -1.5665
2314 T A -1.4078
2315 P A -1.7438
2316 K A -2.1740
2317 R A -1.8869
2318 Q A -1.3016
2319 V A 0.4871
2320 L A 1.4260
2321 A A 0.7260
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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, -0.5604 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_10 -0.5604 View CSV PDB
model_4 -0.5644 View CSV PDB
model_2 -0.5644 View CSV PDB
model_5 -0.5665 View CSV PDB
model_1 -0.5711 View CSV PDB
model_9 -0.5717 View CSV PDB
CABS_average -0.5846 View CSV PDB
model_7 -0.5891 View CSV PDB
model_6 -0.5915 View CSV PDB
model_0 -0.5991 View CSV PDB
model_3 -0.6042 View CSV PDB
model_8 -0.6162 View CSV PDB
model_11 -0.6163 View CSV PDB
input -0.731 View CSV PDB