Project name: G1347R_5_4D

Status: done

Started: 2026-06-12 07:00:20
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHRGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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                                                (00:24:31)
[INFO]       Analysis: Starting Aggrescan4D on model_8.pdb                                         (14:04:52)
[INFO]       Analysis: Starting Aggrescan4D on model_6.pdb                                         (14:05:36)
[INFO]       Analysis: Starting Aggrescan4D on model_11.pdb                                        (14:06:19)
[INFO]       Analysis: Starting Aggrescan4D on model_7.pdb                                         (14:07:03)
[INFO]       Analysis: Starting Aggrescan4D on model_3.pdb                                         (14:07:47)
[INFO]       Analysis: Starting Aggrescan4D on model_5.pdb                                         (14:08:30)
[INFO]       Analysis: Starting Aggrescan4D on model_1.pdb                                         (14:09:14)
[INFO]       Analysis: Starting Aggrescan4D on model_0.pdb                                         (14:09:58)
[INFO]       Analysis: Starting Aggrescan4D on model_2.pdb                                         (14:10:41)
[INFO]       Analysis: Starting Aggrescan4D on model_4.pdb                                         (14:11:25)
[INFO]       Analysis: Starting Aggrescan4D on model_10.pdb                                        (14:12:09)
[INFO]       Analysis: Starting Aggrescan4D on model_9.pdb                                         (14:12:52)
[INFO]       Analysis: Starting Aggrescan4D on input.pdb                                           (14:13:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (14:15:03)
[INFO]       Main:     Simulation completed successfully.                                          (14:15:47)
Show buried residues

Minimal score value
-2.5354
Maximal score value
2.6282
Average score
-0.2144
Total score value
-497.5615

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 1.0241
2 G A 0.0406
3 P A -0.0704
4 G A -0.0894
5 A A 0.0000
6 R A -1.4972
7 G A 0.0000
8 R A -0.4647
9 R A -0.4097
10 R A -0.6020
11 R A -0.7536
12 R A -2.2490
13 R A -2.2406
14 P A -0.4126
15 M A 0.9919
16 S A 0.0817
17 P A -0.2770
18 P A -0.1029
19 P A -0.1056
20 P A -0.2794
21 P A -0.2387
22 P A -0.1757
23 P A 0.1848
24 V A 1.4764
25 R A -1.1194
26 A A -0.1968
27 L A 0.0000
28 P A -0.2842
29 L A 0.0000
30 L A 1.0309
31 L A 0.0000
32 L A 1.7041
33 L A 1.0895
34 A A 0.1187
35 G A -0.5966
36 P A -0.4974
37 G A -0.5642
38 A A -0.0426
39 A A 0.0231
40 A A 0.0000
41 P A -0.3128
42 P A -0.2598
43 C A 0.1985
44 L A 0.5311
45 D A -1.7139
46 G A -0.8137
47 S A -0.1274
48 P A 0.0000
49 C A 0.0000
50 A A 0.0000
51 N A -0.3178
52 G A -0.4046
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.0154
57 Q A 0.0000
58 L A 0.5843
59 P A -0.0455
60 S A -0.5902
61 R A -2.2347
62 E A -2.1701
63 A A -0.3245
64 A A 0.1625
65 C A 0.8837
66 L A 1.5108
67 C A 0.3685
68 P A 0.0000
69 P A -0.1371
70 G A 0.0000
71 W A 0.0000
72 V A 0.2131
73 G A -0.6659
74 E A -2.1961
75 R A -2.2063
76 C A 0.0000
77 Q A -0.2997
78 L A 0.0000
79 E A 0.0000
80 D A 0.0000
81 P A 0.0000
82 C A 0.0941
83 H A -0.7222
84 S A -0.1951
85 G A -0.0831
86 P A -0.0228
87 C A 0.0957
88 A A -0.0015
89 G A -0.7347
90 R A -2.0072
91 G A -0.4655
92 V A 1.7107
93 C A 0.2520
94 Q A -1.1817
95 S A -0.3014
96 S A -0.0598
97 V A 0.5961
98 V A 1.4718
99 A A 0.2955
100 G A -0.1497
101 T A 0.0996
102 A A 0.0000
103 R A -0.4987
104 F A 0.0000
105 S A -0.1060
106 C A 0.0000
107 R A -1.8243
108 C A -0.3521
109 P A -0.5735
110 R A -1.9160
111 G A -0.2776
112 F A 0.9764
113 R A -0.3023
114 G A -0.5453
115 P A 0.0000
116 D A -0.8005
117 C A 0.0000
118 S A 0.0000
119 L A 0.0000
120 P A -0.3645
121 D A -1.8273
122 P A -0.3873
123 C A 0.8442
124 L A 1.6174
125 S A 0.0369
126 S A -0.3028
127 P A -0.2617
128 C A 0.1535
129 A A 0.0528
130 H A -0.2952
131 G A -0.5037
132 A A -0.4145
133 R A -1.7262
134 C A 0.2267
135 S A 0.2909
136 V A 1.4862
137 G A 0.0267
138 P A -0.4856
139 D A -1.8538
140 G A -0.9278
141 R A -1.7212
142 F A 0.9811
143 L A 1.7105
144 C A 0.0000
145 S A -0.0747
146 C A 0.0000
147 P A -0.2772
148 P A -0.2537
149 G A -0.4884
150 Y A 0.0000
151 Q A -1.2867
152 G A -0.7666
153 R A -0.7454
154 S A -0.2432
155 C A -0.2024
156 R A -1.8539
157 S A 0.0000
158 D A -1.6763
159 V A -0.1074
160 D A -1.7189
161 E A -0.5745
162 C A 0.0000
163 R A -1.6068
164 V A 1.2231
165 G A -0.3651
166 E A -1.3515
167 P A -0.2937
168 C A -0.0046
169 R A -0.5516
170 H A -1.1529
171 G A -0.6861
172 G A -0.3921
173 T A -0.0850
174 C A 0.0000
175 L A 1.2854
176 N A -0.0252
177 T A -0.1236
178 P A -0.2591
179 G A 0.0000
180 S A -0.1533
181 F A 0.0000
182 R A -1.8773
183 C A 0.0000
184 Q A -1.2018
185 C A -0.2031
186 P A -0.0507
187 A A -0.0142
188 G A 0.1993
189 Y A 0.5626
190 T A 0.0950
191 G A -0.1215
192 P A -0.3456
193 L A 0.8551
194 C A -0.0294
195 E A -1.8290
196 N A -0.6044
197 P A -0.2102
198 A A 0.1936
199 V A 1.1441
200 P A 0.0983
201 C A 0.1911
202 A A -0.0542
203 P A -0.2921
204 S A -0.2667
205 P A -0.0050
206 C A -0.0187
207 R A -1.7701
208 N A -1.2693
209 G A -0.6969
210 G A -0.4167
211 T A -0.0915
212 C A -0.2746
213 R A -2.0607
214 Q A -1.5393
215 S A -0.3881
216 G A -0.8245
217 D A -1.8792
218 L A 0.0000
219 T A 0.0201
220 Y A -0.2157
221 D A -1.7273
222 C A -0.2590
223 A A 0.0475
224 C A 0.0000
225 L A 1.5392
226 P A 0.2031
227 G A -0.0632
228 F A 0.9855
229 E A -1.2528
230 G A -0.6597
231 Q A -1.4452
232 N A -1.4641
233 C A -0.1851
234 E A 0.0000
235 V A 0.5490
236 N A 0.0000
237 V A 0.6750
238 D A -0.6656
239 D A -1.5777
240 C A 0.0000
241 P A -0.3423
242 G A -0.6320
243 H A -1.0592
244 R A -1.9375
245 C A 0.0708
246 L A 1.3288
247 N A -1.1279
248 G A -0.7995
249 G A -0.7205
250 T A 0.0000
251 C A 0.4030
252 V A 0.5771
253 D A -0.5931
254 G A -0.0407
255 V A 0.7634
256 N A -1.0911
257 T A -0.2999
258 Y A 0.0000
259 N A -0.4631
260 C A 0.0000
261 Q A -1.1450
262 C A 0.0392
263 P A -0.0175
264 P A -0.2316
265 E A -0.4715
266 W A 0.9360
267 T A 0.1875
268 G A -0.3408
269 Q A -0.8314
270 F A 1.7084
271 C A 0.0000
272 T A -0.0858
273 E A -0.3704
274 D A -0.2518
275 V A 0.0063
276 D A -0.5092
277 E A -0.6914
278 C A -0.1744
279 Q A -0.8845
280 L A 1.1696
281 Q A -0.5592
282 P A -0.3992
283 N A -0.5735
284 A A -0.0461
285 C A 0.0000
286 H A -1.0757
287 N A -1.4803
288 G A -0.5513
289 G A -0.3736
290 T A 0.0656
291 C A 0.7981
292 F A 0.3121
293 N A -0.9141
294 T A 0.0747
295 L A 1.4454
296 G A -0.1929
297 G A -0.0020
298 H A 0.0000
299 S A 0.0109
300 C A 0.0000
301 V A 0.0000
302 C A 0.1412
303 V A 0.1861
304 N A -0.1630
305 G A -0.1090
306 W A 0.0000
307 T A 0.0000
308 G A -0.1848
309 E A -0.4910
310 S A -0.1651
311 C A 0.0000
312 S A 0.0000
313 Q A 0.0000
314 N A 0.0000
315 I A 0.0000
316 D A 0.0000
317 D A -0.2603
318 C A 0.0000
319 A A 0.0000
320 T A 0.0000
321 A A 0.0000
322 V A 0.0000
323 C A 0.2372
324 F A 0.2970
325 H A -0.9947
326 G A -0.6508
327 A A 0.0000
328 T A -0.0694
329 C A 0.0000
330 H A -0.4302
331 D A 0.0000
332 R A -0.7539
333 V A 0.3952
334 A A 0.1038
335 S A -0.0622
336 F A 0.3960
337 Y A 0.6244
338 C A 0.0000
339 A A 0.0212
340 C A 0.0000
341 P A -0.0528
342 M A 0.9872
343 G A 0.0543
344 K A -0.2755
345 T A -0.0928
346 G A -0.1118
347 L A 0.4039
348 L A 0.3404
349 C A 0.0000
350 H A 0.0000
351 L A 0.1578
352 D A 0.0000
353 D A 0.0000
354 A A 0.0855
355 C A 0.0000
356 V A 0.6759
357 S A -0.2053
358 N A -0.7433
359 P A -0.1856
360 C A 0.0000
361 H A -0.8720
362 E A -2.2682
363 D A -2.1427
364 A A 0.0000
365 I A 0.4655
366 C A 0.0000
367 D A -0.3691
368 T A 0.0000
369 N A 0.0000
370 P A 0.0000
371 V A 1.6886
372 N A -0.0233
373 G A -0.0988
374 R A 0.0000
375 A A 0.0066
376 I A 0.0000
377 C A 0.0000
378 T A 0.0000
379 C A 0.0630
380 P A -0.2442
381 P A -0.0878
382 G A 0.1883
383 F A 1.3237
384 T A 0.0000
385 G A 0.0000
386 G A -0.5100
387 A A 0.0000
388 C A 0.0000
389 D A -0.2920
390 Q A -0.4027
391 D A 0.0000
392 V A 0.3746
393 D A -0.5026
394 E A -1.7794
395 C A 0.0580
396 S A 0.2293
397 I A 1.7321
398 G A -0.1310
399 A A -0.0743
400 N A -0.2949
401 P A -0.1344
402 C A -0.2456
403 E A -1.9893
404 H A -1.0357
405 L A 1.3125
406 G A -0.2633
407 R A -1.8194
408 C A 0.3354
409 V A 1.7617
410 N A -0.0709
411 T A -0.1339
412 Q A -0.2529
413 G A -0.5140
414 S A -0.1626
415 F A 0.5057
416 L A 1.6079
417 C A 0.2068
418 Q A -1.1681
419 C A -0.2579
420 G A -0.5143
421 R A -0.4836
422 G A -0.3072
423 Y A 0.4256
424 T A 0.0296
425 G A -0.3097
426 P A -0.6515
427 R A -1.8919
428 C A 0.0000
429 E A -0.5181
430 T A -0.2043
431 D A 0.1925
432 V A 1.6023
433 N A -0.5923
434 E A -1.1425
435 C A 0.3042
436 L A 0.0000
437 S A -0.0482
438 G A 0.0000
439 P A 0.0000
440 C A 0.0000
441 R A -1.2671
442 N A -0.4894
443 Q A -0.5055
444 A A 0.0000
445 T A 0.0000
446 C A 0.1422
447 L A 0.1294
448 D A -0.8548
449 R A -1.6563
450 I A 1.2930
451 G A -0.1802
452 Q A -0.5143
453 F A 0.0000
454 T A 0.0000
455 C A 0.0000
456 I A 0.0000
457 C A 0.0000
458 M A 0.2669
459 A A 0.0889
460 G A 0.0000
461 F A 0.0000
462 T A -0.1118
463 G A -0.4839
464 T A -0.1596
465 Y A 0.0000
466 C A 0.0000
467 E A -0.9553
468 V A 1.4175
469 D A -0.0745
470 I A 0.9243
471 D A -0.4176
472 E A -0.8435
473 C A 0.1443
474 Q A -0.5946
475 S A -0.3451
476 S A -0.1528
477 P A -0.2671
478 C A 0.0000
479 V A 0.8992
480 N A -1.1980
481 G A -0.7993
482 G A -0.5961
483 V A 0.4998
484 C A 0.0000
485 K A -1.7729
486 D A -0.7935
487 R A -1.8660
488 V A -0.3603
489 N A -1.2530
490 G A -0.2933
491 F A 1.2714
492 S A -0.1160
493 C A 0.0000
494 T A -0.0905
495 C A 0.0113
496 P A -0.1458
497 S A -0.1627
498 G A 0.0000
499 F A 0.4598
500 S A -0.0613
501 G A -0.5116
502 S A -0.3095
503 T A -0.0608
504 C A 0.0000
505 Q A -0.9040
506 L A 1.1762
507 D A -0.3274
508 V A 1.4942
509 D A -0.5231
510 E A -1.7763
511 C A 0.3893
512 A A 0.1697
513 S A -0.1370
514 T A -0.1424
515 P A -0.1856
516 C A -0.0745
517 R A -2.0197
518 N A -1.7027
519 G A -0.7033
520 A A -0.4077
521 K A -1.6739
522 C A -0.0956
523 V A 0.5334
524 D A -0.6835
525 Q A -1.3591
526 P A -0.7983
527 D A -1.8431
528 G A -0.5510
529 Y A 0.0671
530 E A -0.6864
531 C A 0.0000
532 R A -1.3212
533 C A 0.0000
534 A A -0.2163
535 E A -1.2610
536 G A 0.0000
537 F A 1.5918
538 E A -1.5348
539 G A -0.8208
540 T A 0.1369
541 L A 1.5551
542 C A 0.0571
543 D A -2.1253
544 R A -2.4325
545 N A -1.4741
546 V A 0.2149
547 D A -1.9782
548 D A -2.1031
549 C A -0.2611
550 S A -0.2549
551 P A -0.6298
552 D A -1.8821
553 P A -0.5400
554 C A 0.0417
555 H A -1.1307
556 H A -1.1941
557 G A -0.5946
558 R A -1.7852
559 C A 0.2981
560 V A 1.1964
561 D A -1.5432
562 G A -0.3864
563 I A 1.9332
564 A A 0.3189
565 S A -0.1358
566 F A 0.1231
567 S A 0.1602
568 C A 0.0000
569 A A 0.1406
570 C A 0.7442
571 A A 0.2134
572 P A -0.3169
573 G A -0.1954
574 Y A 1.2399
575 T A 0.0000
576 G A -0.2493
577 T A -0.4644
578 R A -1.8575
579 C A 0.0000
580 E A -1.8368
581 S A -0.6630
582 Q A -0.8728
583 V A 1.1999
584 D A -1.5071
585 E A -0.7280
586 C A 0.2052
587 R A -1.7956
588 S A -0.7638
589 Q A -1.2562
590 P A -0.3201
591 C A -0.2404
592 R A -1.9071
593 H A -0.8370
594 G A -0.3135
595 G A -0.8141
596 K A -1.7527
597 C A -0.0188
598 L A 0.6297
599 D A -0.1101
600 L A 1.7670
601 V A 1.7143
602 D A -1.5907
603 K A -1.0016
604 Y A 0.5221
605 L A 1.0078
606 C A -0.0658
607 R A -1.8053
608 C A -0.2877
609 P A -0.0577
610 S A -0.0849
611 G A -0.4499
612 T A -0.1382
613 T A -0.0553
614 G A 0.0628
615 V A 1.5138
616 N A -0.8296
617 C A -0.0725
618 E A -1.5226
619 V A 0.4909
620 N A -0.9252
621 I A -0.4085
622 D A -1.8538
623 D A -0.9009
624 C A 0.0000
625 A A 0.0415
626 S A -0.3238
627 N A -1.3350
628 P A -0.4571
629 C A 0.0659
630 T A 0.3614
631 F A 1.8418
632 G A 0.0469
633 V A 0.7058
634 C A 0.0821
635 R A -1.8893
636 D A -0.8942
637 G A -0.3421
638 I A 0.0685
639 N A -1.5543
640 R A -1.9337
641 Y A 0.3568
642 D A -0.5716
643 C A 0.0000
644 V A 0.0000
645 C A 0.6958
646 Q A 0.0385
647 P A -0.3758
648 G A -0.3072
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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 -0.5040
1984 S A 0.0933
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1986 E A -0.9701
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1990 L A 0.0000
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1992 L A -0.3560
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1994 H A -1.3195
1995 F A 0.0000
1996 A A 0.0000
1997 N A -0.6070
1998 R A -1.4156
1999 E A 0.0000
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2006 R A -0.1460
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2008 P A 0.0000
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2010 D A -0.7306
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2835
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2017 H A -0.6530
2018 Q A -1.6444
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2280 M A 1.0598
2281 A A 0.2242
2282 T A -0.0055
2283 T A -0.0214
2284 T A -0.1378
2285 G A -0.4964
2286 A A 0.2307
2287 L A 1.3271
2288 P A -0.0358
2289 A A -0.1256
2290 Q A -0.7372
2291 P A -0.0993
2292 L A 1.4290
2293 P A 0.3719
2294 L A 1.0276
2295 S A 0.1720
2296 V A 0.0000
2297 P A 0.0000
2298 S A -0.0749
2299 S A 0.1980
2300 L A 1.5383
2301 A A 0.2004
2302 Q A -0.6126
2303 A A -0.2001
2304 Q A -0.6764
2305 T A -0.2797
2306 Q A -0.2922
2307 L A 0.6417
2308 G A 0.0000
2309 P A -0.2972
2310 Q A -0.3192
2311 P A -0.6233
2312 E A -1.3719
2313 V A 1.4582
2314 T A 0.2994
2315 P A -0.4061
2316 K A -1.7168
2317 R A 0.0000
2318 Q A -0.1421
2319 V A 0.2111
2320 L A 0.0000
2321 A A 0.0477
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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, -0.2144 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_2 -0.2144 View CSV PDB
model_5 -0.2155 View CSV PDB
model_4 -0.2163 View CSV PDB
model_3 -0.2186 View CSV PDB
model_1 -0.219 View CSV PDB
model_0 -0.2198 View CSV PDB
model_6 -0.2199 View CSV PDB
model_8 -0.2217 View CSV PDB
CABS_average -0.2238 View CSV PDB
model_9 -0.2252 View CSV PDB
model_7 -0.2252 View CSV PDB
model_10 -0.2387 View CSV PDB
model_11 -0.2511 View CSV PDB
input -0.2743 View CSV PDB