Project name: E1492K_5_4D

Status: done

Started: 2026-06-12 13:51:50
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEKCGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                                (00:31:53)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (12:50:39)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (12:51:22)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (12:52:08)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (12:52:53)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (12:53:38)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (12:54:24)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (12:55:09)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (12:55:56)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (12:56:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (12:57:26)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (12:58:10)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (12:58:54)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (12:59:39)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (13:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (13:01:50)
Show buried residues

Minimal score value
-2.4122
Maximal score value
2.2576
Average score
-0.2223
Total score value
-515.9523

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 0.9893
2 G A -0.1431
3 P A -0.2362
4 G A -0.4636
5 A A -0.0783
6 R A -0.2840
7 G A -0.6091
8 R A -1.7492
9 R A -2.1918
10 R A -2.3477
11 R A -1.7624
12 R A -2.2001
13 R A -1.1589
14 P A -0.2527
15 M A 0.6126
16 S A -0.1136
17 P A -0.2471
18 P A -0.2941
19 P A -0.1066
20 P A -0.1055
21 P A -0.2692
22 P A -0.1266
23 P A 0.0800
24 V A 1.3734
25 R A -1.4959
26 A A -0.1923
27 L A 0.5722
28 P A 0.2171
29 L A 1.0063
30 L A 1.7232
31 L A 0.8055
32 L A 1.6483
33 L A 0.6078
34 A A 0.0321
35 G A -0.3431
36 P A -0.3290
37 G A -0.1311
38 A A -0.0080
39 A A 0.0107
40 A A 0.0000
41 P A -0.2543
42 P A 0.0000
43 C A 0.4647
44 L A 1.5043
45 D A -0.1892
46 G A -0.5490
47 S A -0.1780
48 P A -0.0524
49 C A -0.0012
50 A A -0.0976
51 N A -0.8297
52 G A -0.6987
53 G A -0.7384
54 R A -1.0310
55 C A 0.0423
56 T A -0.2145
57 Q A -0.9141
58 L A 1.2743
59 P A -0.0233
60 S A -0.3022
61 R A -0.6364
62 E A -1.8608
63 A A -0.3608
64 A A 0.0000
65 C A 0.0000
66 L A 0.3817
67 C A 0.0970
68 P A -0.2920
69 P A -0.3223
70 G A -0.3370
71 W A 0.0000
72 V A 0.0000
73 G A -0.1966
74 E A -0.5503
75 R A 0.0000
76 C A 0.0000
77 Q A 0.0000
78 L A 0.0710
79 E A -0.8090
80 D A -0.7275
81 P A -0.1042
82 C A 0.0986
83 H A -0.9852
84 S A -0.4202
85 G A -0.2911
86 P A -0.2750
87 C A 0.0000
88 A A -0.0754
89 G A -0.5647
90 R A -0.6967
91 G A -0.5646
92 V A 0.0000
93 C A 0.0000
94 Q A 0.0000
95 S A 0.0000
96 S A 0.0000
97 V A 0.0000
98 V A 0.3372
99 A A 0.0338
100 G A -0.4638
101 T A -0.1330
102 A A -0.3548
103 R A -1.5819
104 F A 1.0179
105 S A 0.2127
106 C A 0.0000
107 R A -0.6544
108 C A 0.0000
109 P A 0.0000
110 R A -1.9327
111 G A -0.6971
112 F A 0.4999
113 R A 0.0000
114 G A -0.2263
115 P A -0.5410
116 D A -0.9841
117 C A 0.0000
118 S A 0.0336
119 L A 0.8454
120 P A -0.1502
121 D A -0.8455
122 P A -0.2603
123 C A 0.9738
124 L A 1.6445
125 S A 0.0663
126 S A -0.1528
127 P A -0.2367
128 C A 0.1086
129 A A -0.0209
130 H A -0.4873
131 G A -0.5333
132 A A -0.3912
133 R A -1.6944
134 C A 0.3812
135 S A 0.5171
136 V A 1.7231
137 G A -0.0392
138 P A -0.4609
139 D A -1.4798
140 G A -1.0809
141 R A -1.6086
142 F A 1.7517
143 L A 1.9144
144 C A 0.5755
145 S A -0.0546
146 C A 0.0056
147 P A -0.2873
148 P A -0.3746
149 G A -0.1746
150 Y A 1.2143
151 Q A 0.0386
152 G A -0.7719
153 R A -2.0169
154 S A -0.4958
155 C A -0.0911
156 R A -1.0383
157 S A -0.2566
158 D A 0.0000
159 V A 1.6888
160 D A -0.1229
161 E A 0.0000
162 C A 0.0000
163 R A -1.5669
164 V A 0.9943
165 G A -0.5337
166 E A -1.9411
167 P A -0.5846
168 C A 0.0928
169 R A -0.7906
170 H A -1.2265
171 G A -0.7016
172 G A -0.5608
173 T A -0.0480
174 C A 0.4793
175 L A 1.0905
176 N A -0.1222
177 T A -0.1575
178 P A -0.3216
179 G A -0.3799
180 S A -0.0458
181 F A 0.0965
182 R A -1.4043
183 C A 0.0000
184 Q A -0.7221
185 C A 0.0000
186 P A -0.1220
187 A A 0.0111
188 G A -0.0539
189 Y A 0.4183
190 T A 0.0000
191 G A -0.4712
192 P A 0.0682
193 L A 1.2933
194 C A 0.0866
195 E A -1.8579
196 N A -0.7405
197 P A -0.2603
198 A A 0.0707
199 V A 0.3522
200 P A -0.0739
201 C A 0.5116
202 A A 0.1086
203 P A 0.0000
204 S A -0.1381
205 P A -0.2736
206 C A 0.0000
207 R A -1.8994
208 N A -0.6989
209 G A -0.1678
210 G A -0.1008
211 T A -0.0520
212 C A 0.0000
213 R A -1.9378
214 Q A -0.8628
215 S A -0.2976
216 G A -0.8256
217 D A -1.5866
218 L A 1.1990
219 T A 0.3854
220 Y A 0.4932
221 D A -1.4847
222 C A -0.2076
223 A A 0.1979
224 C A 0.9190
225 L A 1.1009
226 P A 0.1896
227 G A -0.0134
228 F A 0.0000
229 E A -1.6654
230 G A 0.0000
231 Q A -0.5944
232 N A -0.2441
233 C A 0.0000
234 E A -0.3226
235 V A 0.2504
236 N A 0.2426
237 V A 1.6582
238 D A -0.3678
239 D A -1.8601
240 C A -0.2995
241 P A -0.2597
242 G A -0.6265
243 H A -1.0736
244 R A -1.9687
245 C A 0.0000
246 L A 1.4747
247 N A 0.0270
248 G A -0.2670
249 G A -0.4810
250 T A 0.0000
251 C A 0.3049
252 V A 0.0000
253 D A -0.3835
254 G A 0.0000
255 V A 0.0406
256 N A -0.6000
257 T A 0.1180
258 Y A 1.3118
259 N A 0.0000
260 C A 0.0000
261 Q A 0.0000
262 C A 0.0000
263 P A 0.0000
264 P A 0.0000
265 E A -0.7389
266 W A 0.0000
267 T A -0.0786
268 G A -0.3400
269 Q A -0.9409
270 F A 1.3016
271 C A 0.3717
272 T A -0.2125
273 E A 0.0000
274 D A -1.0247
275 V A 0.0000
276 D A -0.8407
277 E A 0.0000
278 C A 0.0000
279 Q A -1.1599
280 L A -0.1102
281 Q A -0.4626
282 P A -0.3819
283 N A -1.2717
284 A A -0.0617
285 C A 0.6523
286 H A -0.5759
287 N A -1.4521
288 G A -0.7657
289 G A -0.3923
290 T A -0.0190
291 C A 0.7730
292 F A 1.8768
293 N A -0.1145
294 T A 0.0002
295 L A 0.8750
296 G A 0.0894
297 G A -0.1114
298 H A 0.0000
299 S A 0.1156
300 C A 0.0000
301 V A 0.5967
302 C A 0.0000
303 V A 0.5814
304 N A 0.0000
305 G A -0.2522
306 W A 0.0000
307 T A -0.1636
308 G A -0.5158
309 E A -0.3407
310 S A -0.2517
311 C A 0.0000
312 S A -0.2094
313 Q A -0.9101
314 N A -0.1529
315 I A 0.3981
316 D A -1.6116
317 D A 0.0000
318 C A 0.0862
319 A A 0.0562
320 T A -0.0660
321 A A 0.0868
322 V A 0.4714
323 C A 0.0000
324 F A 1.2109
325 H A -0.6003
326 G A -0.6105
327 A A 0.0000
328 T A 0.0843
329 C A 0.3896
330 H A -0.9128
331 D A -1.6122
332 R A -1.7263
333 V A 1.4306
334 A A 0.3354
335 S A -0.2415
336 F A 0.0000
337 Y A 0.2463
338 C A 0.0000
339 A A 0.0000
340 C A 0.0000
341 P A -0.0687
342 M A 0.9538
343 G A -0.1789
344 K A -0.7789
345 T A 0.0000
346 G A -0.1301
347 L A 0.0000
348 L A 0.0000
349 C A 0.1571
350 H A -0.0542
351 L A 0.8089
352 D A -1.7015
353 D A -0.7390
354 A A -0.0446
355 C A 0.0000
356 V A 1.7325
357 S A 0.0541
358 N A -0.4367
359 P A -0.2055
360 C A 0.0000
361 H A -1.3380
362 E A -2.3527
363 D A -2.1373
364 A A -0.3519
365 I A 0.5123
366 C A 0.1654
367 D A -0.4672
368 T A -0.1084
369 N A 0.0000
370 P A -0.0563
371 V A 0.0000
372 N A -0.2518
373 G A -0.1707
374 R A -0.3745
375 A A -0.0607
376 I A 0.0000
377 C A 0.0937
378 T A 0.0000
379 C A 0.0000
380 P A -0.1806
381 P A -0.3200
382 G A -0.1769
383 F A 0.2573
384 T A -0.0265
385 G A -0.3428
386 G A -0.4567
387 A A -0.0188
388 C A -0.3224
389 D A -1.8065
390 Q A -0.6003
391 D A -0.6581
392 V A -0.1914
393 D A -1.9730
394 E A -1.4931
395 C A -0.0637
396 S A 0.0609
397 I A 0.3599
398 G A -0.3789
399 A A 0.0000
400 N A 0.0000
401 P A -0.0103
402 C A -0.2298
403 E A -1.8428
404 H A -0.2893
405 L A 1.3708
406 G A -0.3277
407 R A -1.8633
408 C A 0.2140
409 V A 1.7739
410 N A 0.3280
411 T A -0.2562
412 Q A -0.4363
413 G A -0.5535
414 S A -0.0110
415 F A 1.5383
416 L A 1.8233
417 C A 0.2401
418 Q A -1.1135
419 C A -0.0320
420 G A -0.5519
421 R A -0.9043
422 G A -0.1202
423 Y A 1.2346
424 T A 0.2277
425 G A -0.1141
426 P A -0.2625
427 R A -0.2874
428 C A 0.0000
429 E A 0.0000
430 T A 0.0000
431 D A -0.0585
432 V A 0.4161
433 N A -0.8395
434 E A -0.5286
435 C A 0.6744
436 L A 1.1399
437 S A -0.0876
438 G A -0.4167
439 P A -0.2093
440 C A -0.2537
441 R A -2.2304
442 N A -1.8521
443 Q A -1.4383
444 A A -0.1761
445 T A 0.0378
446 C A 0.6326
447 L A 0.4613
448 D A -1.0309
449 R A -1.6015
450 I A 1.6040
451 G A -0.1239
452 Q A -1.0543
453 F A 0.7957
454 T A 0.2158
455 C A 0.5800
456 I A 1.8002
457 C A 0.8056
458 M A 0.4748
459 A A 0.0427
460 G A -0.2494
461 F A 1.8439
462 T A 0.0637
463 G A -0.4894
464 T A 0.0884
465 Y A 1.3021
466 C A 0.0000
467 E A -1.6780
468 V A 0.0000
469 D A -1.0810
470 I A 0.4055
471 D A -1.8013
472 E A -1.2781
473 C A 0.0721
474 Q A -1.1340
475 S A -0.4128
476 S A -0.2433
477 P A -0.2739
478 C A 0.2991
479 V A 1.2185
480 N A -0.6434
481 G A -0.7117
482 G A -0.5124
483 V A 0.0696
484 C A -0.1547
485 K A -1.9112
486 D A -1.8461
487 R A -1.8473
488 V A 1.2436
489 N A -0.9045
490 G A -0.4260
491 F A 0.4393
492 S A -0.1465
493 C A 0.1594
494 T A 0.0211
495 C A 0.0000
496 P A -0.0609
497 S A -0.1989
498 G A 0.1346
499 F A 1.9168
500 S A 0.0693
501 G A -0.5464
502 S A -0.3080
503 T A -0.0645
504 C A -0.1598
505 Q A -1.0870
506 L A 0.1602
507 D A -1.6017
508 V A -0.2256
509 D A -2.0490
510 E A -2.1462
511 C A 0.0000
512 A A 0.0187
513 S A -0.2074
514 T A -0.1342
515 P A -0.2493
516 C A -0.3182
517 R A -2.0668
518 N A -1.6779
519 G A -0.5683
520 A A -0.3420
521 K A -1.6706
522 C A -0.0393
523 V A 0.5763
524 D A -1.4871
525 Q A -1.5229
526 P A -0.7924
527 D A -1.8532
528 G A -0.5806
529 Y A 0.0099
530 E A -1.7505
531 C A 0.0000
532 R A -1.8936
533 C A 0.0000
534 A A -0.3110
535 E A -1.8435
536 G A -0.4290
537 F A -0.2216
538 E A -1.8468
539 G A -0.9815
540 T A 0.1762
541 L A 1.5676
542 C A 0.0982
543 D A -1.9507
544 R A -1.5412
545 N A -1.1557
546 V A 1.2214
547 D A -0.8332
548 D A -1.9252
549 C A -0.2752
550 S A -0.2349
551 P A -0.4421
552 D A -1.1011
553 P A -0.4438
554 C A 0.0000
555 H A -1.1005
556 H A -1.0453
557 G A -0.9324
558 R A -1.9321
559 C A 0.0668
560 V A 0.3310
561 D A -1.2986
562 G A 0.0221
563 I A 2.0049
564 A A 0.4096
565 S A 0.0933
566 F A 1.4946
567 S A 0.2107
568 C A 0.0000
569 A A -0.1849
570 C A 0.0000
571 A A -0.0381
572 P A -0.2548
573 G A -0.0109
574 Y A 0.1270
575 T A -0.0858
576 G A -0.4862
577 T A -0.1561
578 R A 0.0000
579 C A -0.0682
580 E A -1.7937
581 S A -0.5684
582 Q A -0.2852
583 V A 0.4052
584 D A -1.9257
585 E A -1.8602
586 C A 0.0000
587 R A -0.6021
588 S A -0.5213
589 Q A -1.2642
590 P A -0.4569
591 C A -0.3913
592 R A -1.8775
593 H A -0.7753
594 G A -0.6105
595 G A -0.9123
596 K A -1.6839
597 C A 0.4085
598 L A 1.0122
599 D A 0.3125
600 L A 1.5670
601 V A 0.3196
602 D A -2.0402
603 K A -1.8780
604 Y A 0.7355
605 L A 1.7985
606 C A 0.0963
607 R A -1.8279
608 C A 0.0000
609 P A 0.0000
610 S A -0.2797
611 G A -0.3568
612 T A -0.1561
613 T A -0.1234
614 G A -0.1389
615 V A 1.4489
616 N A -0.9435
617 C A 0.0000
618 E A -1.6919
619 V A 0.0000
620 N A 0.0000
621 I A 1.6481
622 D A -1.4526
623 D A 0.0000
624 C A 0.0000
625 A A 0.0178
626 S A -0.3511
627 N A -0.8805
628 P A -0.3740
629 C A 0.0961
630 T A 0.2205
631 F A 1.3420
632 G A 0.4421
633 V A 1.7614
634 C A 0.1713
635 R A -2.1191
636 D A -1.9426
637 G A -0.5509
638 I A -0.0640
639 N A -0.5938
640 R A -1.7228
641 Y A 0.3390
642 D A -0.8260
643 C A 0.3524
644 V A 1.2222
645 C A 0.1142
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1973 E A -1.2520
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.1531
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1980 A A 0.0000
1981 R A -1.2442
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1984 S A 0.0000
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1987 A A 0.0000
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1990 L A 0.0000
1991 L A 0.0000
1992 L A 0.0000
1993 D A 0.0000
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1995 F A 0.0000
1996 A A 0.0000
1997 N A 0.0000
1998 R A 0.0000
1999 E A -0.1891
2000 I A 0.1355
2001 T A -0.2113
2002 D A -1.8914
2003 H A -0.5133
2004 L A 1.3928
2005 D A -0.3844
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2010 D A -1.3338
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2100
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2017 H A -0.9140
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2275 T A 0.0000
2276 A A 0.0059
2277 T A 0.0000
2278 G A -0.1392
2279 A A 0.0000
2280 M A 0.2621
2281 A A 0.0000
2282 T A 0.0000
2283 T A -0.0361
2284 T A -0.1054
2285 G A -0.4572
2286 A A 0.0432
2287 L A 0.3340
2288 P A -0.1436
2289 A A -0.0720
2290 Q A -0.3590
2291 P A -0.3356
2292 L A 0.0000
2293 P A -0.3135
2294 L A 0.0000
2295 S A 0.0000
2296 V A 0.5892
2297 P A 0.0274
2298 S A -0.1397
2299 S A -0.0913
2300 L A 0.2535
2301 A A 0.0228
2302 Q A -0.2577
2303 A A -0.0023
2304 Q A 0.0000
2305 T A -0.1375
2306 Q A -0.1803
2307 L A 0.9179
2308 G A 0.0000
2309 P A 0.0000
2310 Q A 0.0000
2311 P A 0.0000
2312 E A 0.0000
2313 V A 0.0000
2314 T A -0.0507
2315 P A -0.4451
2316 K A -2.0738
2317 R A -2.3993
2318 Q A -1.5129
2319 V A 0.0526
2320 L A 0.4633
2321 A A 0.1130
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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, -0.2223 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_6 -0.2223 View CSV PDB
model_8 -0.2227 View CSV PDB
model_0 -0.2259 View CSV PDB
model_3 -0.2277 View CSV PDB
model_9 -0.2281 View CSV PDB
model_1 -0.2305 View CSV PDB
CABS_average -0.2327 View CSV PDB
model_5 -0.2344 View CSV PDB
model_2 -0.2378 View CSV PDB
model_4 -0.2392 View CSV PDB
model_10 -0.2408 View CSV PDB
model_7 -0.2414 View CSV PDB
model_11 -0.2415 View CSV PDB
input -0.2772 View CSV PDB