Project name: C977G

Status: done

Started: 2026-05-09 14:41:30
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVGSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter usage No
Dynamic mode No
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]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:32)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:36:25)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8ebc01b31bbcb64/tmp/folded.pdb                (00:36:25)
[INFO]       Main:     Simulation completed successfully.                                          (01:11:19)
Show buried residues

Minimal score value
-4.6796
Maximal score value
5.6838
Average score
-0.7484
Total score value
-1736.9403

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 0.7130
2 G A -0.1960
3 P A -0.6374
4 G A -0.9690
5 A A -1.3560
6 R A -2.5394
7 G A -2.7261
8 R A -3.8593
9 R A -4.2336
10 R A -4.5861
11 R A -4.5460
12 R A -4.1180
13 R A -2.9966
14 P A -1.1063
15 M A 0.3371
16 S A 0.0622
17 P A -0.2827
18 P A -0.6167
19 P A -0.6103
20 P A -0.6507
21 P A -0.4439
22 P A -0.3671
23 P A 0.0227
24 V A 0.8701
25 R A -0.6706
26 A A 0.4572
27 L A 1.6952
28 P A 1.6305
29 L A 3.1960
30 L A 3.8119
31 L A 3.9491
32 L A 3.6289
33 L A 2.8362
34 A A 1.0925
35 G A -0.0495
36 P A -0.4647
37 G A -0.6489
38 A A -0.2816
39 A A -0.2778
40 A A -0.2610
41 P A -0.8149
42 P A -0.6937
43 C A -0.4977
44 L A 0.4348
45 D A -1.3125
46 G A -0.9197
47 S A -0.9015
48 P A -1.2131
49 C A 0.0000
50 A A -1.7593
51 N A -1.9350
52 G A -1.4167
53 G A -1.4244
54 R A -1.6927
55 C A -0.5681
56 T A -0.7708
57 Q A -1.5466
58 L A -1.0942
59 P A -1.2144
60 S A -1.7298
61 R A -2.9641
62 E A -2.8788
63 A A -1.4908
64 A A -1.2729
65 C A -0.8252
66 L A 0.4612
67 C A -0.2852
68 P A -0.1831
69 P A -0.4310
70 G A -0.9735
71 W A -1.0039
72 V A -1.0497
73 G A -1.3121
74 E A -2.3969
75 R A -2.7655
76 C A 0.0000
77 Q A -2.5155
78 L A -1.8894
79 E A -2.4309
80 D A -1.5908
81 P A -1.2636
82 C A -0.9560
83 H A -1.4503
84 S A -1.0214
85 G A -0.7494
86 P A -0.4165
87 C A 0.0000
88 A A -0.5889
89 G A -0.9773
90 R A -2.1430
91 G A 0.0000
92 V A -0.9526
93 C A 0.0000
94 Q A -0.9536
95 S A -0.6036
96 S A -0.0057
97 V A 0.6128
98 V A 1.5473
99 A A 0.6083
100 G A -0.3029
101 T A -0.2012
102 A A 0.0000
103 R A -1.2591
104 F A -0.4146
105 S A -0.7892
106 C A -1.0577
107 R A -1.9737
108 C A -1.3263
109 P A -1.5216
110 R A -1.9347
111 G A -0.3775
112 F A -0.1677
113 R A -0.5429
114 G A -0.4582
115 P A -0.6374
116 D A -0.7543
117 C A 0.0000
118 S A 0.0518
119 L A 0.6350
120 P A 0.1968
121 D A -0.1253
122 P A 0.0832
123 C A 0.2626
124 L A 0.5309
125 S A 0.1591
126 S A -0.1944
127 P A -0.4224
128 C A -1.1775
129 A A -1.6580
130 H A -1.7311
131 G A -1.2926
132 A A -1.5737
133 R A -1.8488
134 C A -0.2715
135 S A -0.1340
136 V A 0.0733
137 G A -0.6338
138 P A -1.2258
139 D A -2.2570
140 G A -1.4950
141 R A -1.8269
142 F A -0.5534
143 L A 0.0004
144 C A -0.7641
145 S A -0.9590
146 C A -1.3573
147 P A -0.8404
148 P A -0.5116
149 G A -0.8712
150 Y A -1.8308
151 Q A -2.4397
152 G A -2.4864
153 R A -2.4154
154 S A -1.9340
155 C A 0.0000
156 R A -2.9569
157 S A -2.3025
158 D A -1.9370
159 V A -1.1373
160 D A -1.0843
161 E A -1.3603
162 C A -1.4044
163 R A -1.7263
164 V A 0.1583
165 G A -0.9974
166 E A -2.3801
167 P A -1.7941
168 C A 0.0000
169 R A -3.1000
170 H A -2.1973
171 G A -1.7313
172 G A -1.7815
173 T A -1.2906
174 C A -1.4514
175 L A -0.5477
176 N A -1.1931
177 T A -0.8002
178 P A -0.9526
179 G A -1.0825
180 S A -0.8090
181 F A -0.9361
182 R A -1.8743
183 C A -1.6431
184 Q A -1.5497
185 C A -1.2900
186 P A -0.6407
187 A A 0.0180
188 G A 0.0695
189 Y A -0.4865
190 T A -0.7588
191 G A -0.9851
192 P A -1.1269
193 L A -1.4430
194 C A 0.0000
195 E A -1.9799
196 N A -1.6571
197 P A -0.4408
198 A A 0.2739
199 V A 0.9677
200 P A -0.0730
201 C A -0.2807
202 A A 0.2737
203 P A 0.0190
204 S A -0.6974
205 P A -1.2279
206 C A 0.0000
207 R A -3.0025
208 N A -1.9964
209 G A -1.3937
210 G A -1.6707
211 T A -1.2217
212 C A -1.8565
213 R A -2.9350
214 Q A -2.4460
215 S A -1.8222
216 G A -1.3547
217 D A -1.3070
218 L A 0.3349
219 T A -0.6923
220 Y A -1.6687
221 D A -2.8491
222 C A 0.0000
223 A A -0.9795
224 C A -0.9341
225 L A 0.0455
226 P A -0.0612
227 G A -0.3867
228 F A -1.0189
229 E A -2.1720
230 G A -1.9591
231 Q A -2.3925
232 N A -2.4018
233 C A 0.0000
234 E A -2.4901
235 V A -0.4872
236 N A -0.5227
237 V A -0.7112
238 D A -1.6831
239 D A -1.6059
240 C A -1.3965
241 P A -1.3250
242 G A -1.3198
243 H A -1.5893
244 R A -2.0981
245 C A 0.0000
246 L A 0.0962
247 N A -0.8334
248 G A -0.5958
249 G A -0.7939
250 T A -0.6261
251 C A -0.7471
252 V A -0.2257
253 D A -0.8916
254 G A -0.2292
255 V A 0.6861
256 N A -0.7573
257 T A -0.6962
258 Y A -1.2583
259 N A -1.7960
260 C A -1.3050
261 Q A -1.3819
262 C A -1.1449
263 P A -0.6709
264 P A -0.8561
265 E A -1.3279
266 W A -1.2378
267 T A -1.4349
268 G A -1.6644
269 Q A -1.9415
270 F A -1.3903
271 C A 0.0000
272 T A -1.2449
273 E A -2.1458
274 D A -1.5076
275 V A 0.0000
276 D A -1.3299
277 E A -1.1792
278 C A -0.8119
279 Q A -1.1239
280 L A 0.0109
281 Q A -1.2151
282 P A -1.5079
283 N A -2.0253
284 A A -1.3323
285 C A 0.0000
286 H A -2.0677
287 N A -1.7467
288 G A -1.2365
289 G A -0.2739
290 T A 0.6365
291 C A 0.4643
292 F A 1.5038
293 N A -0.1149
294 T A 0.3445
295 L A 0.6825
296 G A -0.4927
297 G A -0.3077
298 H A -0.2514
299 S A 0.1616
300 C A 0.6228
301 V A 1.7717
302 C A 0.1211
303 V A -0.0195
304 N A -0.7068
305 G A 0.0000
306 W A -0.7339
307 T A -0.9806
308 G A -1.3231
309 E A -2.0400
310 S A -1.5237
311 C A 0.0000
312 S A -1.6116
313 Q A -1.8459
314 N A -1.2409
315 I A -0.6670
316 D A -1.8798
317 D A -0.9162
318 C A -0.4146
319 A A -0.2664
320 T A 0.0050
321 A A 0.7023
322 V A 1.8909
323 C A 1.5248
324 F A 0.9469
325 H A -0.6521
326 G A -0.4094
327 A A 0.1529
328 T A 0.1470
329 C A 0.3884
330 H A -0.7908
331 D A -1.2336
332 R A -0.6552
333 V A -0.2773
334 A A -0.5016
335 S A -0.4705
336 F A 0.1841
337 Y A 0.7784
338 C A 0.0000
339 A A 0.4882
340 C A 0.4655
341 P A 0.1373
342 M A 0.8107
343 G A -0.0368
344 K A -0.9661
345 T A -0.6151
346 G A 0.2838
347 L A 1.9002
348 L A 1.5841
349 C A 0.0000
350 H A -0.2211
351 L A -1.1112
352 D A -2.1192
353 D A -1.3982
354 A A -1.1537
355 C A -0.2888
356 V A 0.8542
357 S A 0.0024
358 N A -0.9233
359 P A -0.7942
360 C A -1.2561
361 H A -2.2193
362 E A -2.8965
363 D A -2.2285
364 A A -0.8598
365 I A 0.9972
366 C A 0.0737
367 D A -1.0611
368 T A 0.0000
369 N A -1.0344
370 P A -0.3829
371 V A 1.0521
372 N A -1.0732
373 G A -1.8168
374 R A -2.3751
375 A A 0.0000
376 I A 0.2328
377 C A -0.0942
378 T A 0.4065
379 C A -0.2832
380 P A -0.3413
381 P A -0.4478
382 G A -0.7896
383 F A -1.4142
384 T A -1.1993
385 G A -1.3664
386 G A -0.9175
387 A A -1.2453
388 C A 0.0000
389 D A -2.7863
390 Q A -2.5971
391 D A -2.0146
392 V A -1.0378
393 D A -1.1363
394 E A -0.3062
395 C A -0.1475
396 S A 0.0974
397 I A 1.2101
398 G A 0.2044
399 A A -0.3820
400 N A -1.2820
401 P A -0.8205
402 C A 0.0000
403 E A -1.6231
404 H A -1.1581
405 L A 0.2842
406 G A 0.0000
407 R A -2.0610
408 C A 0.0000
409 V A 0.1063
410 N A -0.4763
411 T A -0.4875
412 Q A -1.6663
413 G A -1.1298
414 S A -0.3064
415 F A 0.3497
416 L A 0.6925
417 C A -0.8379
418 Q A -1.5994
419 C A -1.6138
420 G A -1.2303
421 R A -1.9717
422 G A -1.2528
423 Y A -1.2410
424 T A -1.5514
425 G A -1.4562
426 P A -1.2073
427 R A -2.4652
428 C A 0.0000
429 E A -2.4872
430 T A -1.7579
431 D A -1.8735
432 V A -0.8868
433 N A -0.7890
434 E A -0.9810
435 C A -0.1830
436 L A 0.9051
437 S A 0.0781
438 G A -0.4868
439 P A -0.3705
440 C A -0.6652
441 R A -2.0434
442 N A -1.9470
443 Q A -1.7001
444 A A -0.3237
445 T A 0.3466
446 C A 0.4162
447 L A 0.0682
448 D A -1.0126
449 R A -1.4623
450 I A -0.0222
451 G A 0.0000
452 Q A -1.5402
453 F A -0.4867
454 T A 0.2200
455 C A 1.0078
456 I A 2.1495
457 C A 0.9921
458 M A 0.2839
459 A A 0.2966
460 G A -0.7209
461 F A 0.0000
462 T A 0.0057
463 G A 0.0850
464 T A 0.3839
465 Y A 0.4437
466 C A 0.0000
467 E A -0.9635
468 V A -0.2103
469 D A -1.7960
470 I A -1.5342
471 D A -3.2380
472 E A -3.0466
473 C A -2.2313
474 Q A -2.2742
475 S A -1.3580
476 S A -0.5250
477 P A -0.0624
478 C A 0.2889
479 V A 0.5567
480 N A -0.7263
481 G A -0.2504
482 G A 0.3538
483 V A 1.2056
484 C A -0.5996
485 K A -2.3470
486 D A -3.6506
487 R A -2.9017
488 V A -0.6084
489 N A -1.5558
490 G A -1.5039
491 F A -1.5942
492 S A -0.8127
493 C A 0.1617
494 T A 0.3469
495 C A 0.3715
496 P A -0.3872
497 S A -1.1017
498 G A -1.9821
499 F A -1.1311
500 S A -0.4160
501 G A -0.5161
502 S A -0.2272
503 T A 0.0607
504 C A 0.0000
505 Q A -0.9628
506 L A -0.2720
507 D A -2.4466
508 V A -1.8334
509 D A -2.8901
510 E A -2.7323
511 C A -1.7745
512 A A -0.9809
513 S A -0.6816
514 T A -0.8670
515 P A -0.7703
516 C A 0.0000
517 R A -2.8506
518 N A -3.0699
519 G A -2.3211
520 A A -2.9163
521 K A -3.0379
522 C A -2.4219
523 V A -2.2456
524 D A -3.5332
525 Q A -2.9938
526 P A -2.5537
527 D A -2.8986
528 G A -2.3040
529 Y A -2.3929
530 E A -2.7852
531 C A -2.5811
532 R A -3.0800
533 C A -3.0763
534 A A -1.9881
535 E A -1.9306
536 G A -1.1273
537 F A -2.4546
538 E A -3.4570
539 G A -2.2682
540 T A -1.6619
541 L A -1.9119
542 C A 0.0000
543 D A -3.6838
544 R A -3.7095
545 N A -2.0980
546 V A -1.5172
547 D A -1.6637
548 D A -0.9488
549 C A -1.3661
550 S A -1.4721
551 P A -1.4991
552 D A -2.5955
553 P A -1.9671
554 C A 0.0000
555 H A -2.6549
556 H A -2.0780
557 G A -1.8336
558 R A -2.1162
559 C A 0.0000
560 V A 0.5476
561 D A -0.3537
562 G A 0.6408
563 I A 1.3225
564 A A 0.1131
565 S A 0.3077
566 F A 0.3475
567 S A -0.0214
568 C A -0.9884
569 A A -0.3756
570 C A -1.1703
571 A A -0.9040
572 P A -0.7246
573 G A -0.9826
574 Y A -1.2016
575 T A -1.2150
576 G A -1.3908
577 T A -1.0984
578 R A -2.5098
579 C A 0.0000
580 E A -2.8749
581 S A -1.9590
582 Q A -1.7548
583 V A -1.6244
584 D A -2.4909
585 E A -2.6405
586 C A 0.0000
587 R A -3.0524
588 S A -2.0104
589 Q A -2.6962
590 P A -1.5448
591 C A -1.8480
592 R A -2.8101
593 H A -1.9643
594 G A -2.2121
595 G A -2.3250
596 K A -2.8916
597 C A 0.0000
598 L A -1.0556
599 D A -1.9444
600 L A -0.0296
601 V A 0.0460
602 D A -2.1346
603 K A -1.8802
604 Y A -0.5483
605 L A 0.3459
606 C A -1.0565
607 R A -2.1007
608 C A -1.3476
609 P A -1.3567
610 S A -0.5619
611 G A -0.9672
612 T A 0.0000
613 T A 0.0148
614 G A 0.4053
615 V A 1.4113
616 N A -0.5092
617 C A 0.0000
618 E A -0.6096
619 V A 0.4988
620 N A -0.8394
621 I A -0.6423
622 D A -2.5141
623 D A -2.8726
624 C A 0.0000
625 A A -1.1222
626 S A -1.2035
627 N A -1.5529
628 P A -0.4986
629 C A -0.0283
630 T A 0.3812
631 F A 1.1403
632 G A 0.5692
633 V A 0.7793
634 C A 0.0000
635 R A -2.6682
636 D A -2.7811
637 G A -2.1362
638 I A -0.9447
639 N A -2.2623
640 R A -3.2038
641 Y A -2.6749
642 D A -2.1699
643 C A -0.1519
644 V A 1.1245
645 C A 0.6278
646 Q A -0.9355
647 P A -1.1723
648 G A 0.0000
649 F A -0.5579
650 T A 0.2961
651 G A 0.3192
652 P A -0.0521
653 L A 0.6719
654 C A 0.0000
655 N A -0.4000
656 V A 0.4597
657 E A -1.6455
658 I A -0.9744
659 N A -1.8827
660 E A -1.7852
661 C A -0.9407
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1998 R A -1.7044
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2248 S A -0.8614
2249 P A -1.3912
2250 E A -2.2557
2251 S A -1.5683
2252 P A -1.1632
2253 E A -0.7607
2254 H A -0.5160
2255 W A 0.7184
2256 A A 0.0557
2257 S A -0.2410
2258 P A -0.3827
2259 S A -0.6163
2260 P A -0.4333
2261 P A -0.1802
2262 S A 0.0148
2263 L A 0.8988
2264 S A -0.1388
2265 D A -1.2166
2266 W A -0.1695
2267 S A -1.1693
2268 E A -1.9757
2269 S A -1.1317
2270 T A -0.9235
2271 P A -0.7339
2272 S A -0.5032
2273 P A -0.4144
2274 A A -0.1764
2275 T A -0.1707
2276 A A -0.1340
2277 T A -0.2680
2278 G A -0.2444
2279 A A 0.3912
2280 M A 0.9991
2281 A A 0.5301
2282 T A 0.1296
2283 T A -0.2315
2284 T A -0.3703
2285 G A -0.1806
2286 A A 0.5395
2287 L A 1.3729
2288 P A 0.2885
2289 A A -0.3507
2290 Q A -1.0068
2291 P A -0.1318
2292 L A 1.4086
2293 P A 1.1382
2294 L A 2.0995
2295 S A 1.3055
2296 V A 1.8539
2297 P A 0.4113
2298 S A 0.2685
2299 S A 0.3763
2300 L A 1.1641
2301 A A 0.2521
2302 Q A -1.0625
2303 A A -1.2091
2304 Q A -1.7145
2305 T A -0.8554
2306 Q A -0.8215
2307 L A 0.6562
2308 G A -0.3949
2309 P A -0.8391
2310 Q A -1.7629
2311 P A -1.4437
2312 E A -1.3458
2313 V A 0.3809
2314 T A -0.1684
2315 P A -1.2537
2316 K A -2.8128
2317 R A -3.0114
2318 Q A -1.3140
2319 V A 1.6129
2320 L A 2.2340
2321 A A 1.0948
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Calculations for various pH values

This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 -0.0687 6.9439 View CSV PDB
4.5 -0.1506 6.8611 View CSV PDB
5.0 -0.2495 6.8309 View CSV PDB
5.5 -0.3517 6.8309 View CSV PDB
6.0 -0.4451 6.8309 View CSV PDB
6.5 -0.5224 6.8309 View CSV PDB
7.0 -0.5835 6.8309 View CSV PDB
7.5 -0.6335 6.8309 View CSV PDB
8.0 -0.6756 6.8309 View CSV PDB
8.5 -0.7082 6.8309 View CSV PDB
9.0 -0.7277 6.8309 View CSV PDB