Project name: C55Y

Status: done

Started: 2026-05-14 00:48:52
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRYTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:38)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:39)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:42:46)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/adfdf10f6ede23e/tmp/folded.pdb                (00:42:46)
[INFO]       Main:     Simulation completed successfully.                                          (01:06:13)
Show buried residues

Minimal score value
-4.6083
Maximal score value
5.7299
Average score
-0.7762
Total score value
-1801.4757

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 0.7709
2 G A -0.1758
3 P A -0.7215
4 G A -1.0962
5 A A -1.4962
6 R A -2.8691
7 G A -2.8904
8 R A -4.0176
9 R A -4.4888
10 R A -4.6083
11 R A -4.5765
12 R A -4.2428
13 R A -3.0417
14 P A -1.1941
15 M A 0.3428
16 S A 0.0381
17 P A -0.3591
18 P A -0.5252
19 P A -0.6780
20 P A -0.6862
21 P A -0.4217
22 P A -0.3536
23 P A -0.0755
24 V A 0.8628
25 R A -0.6335
26 A A 0.4650
27 L A 1.7678
28 P A 1.6880
29 L A 3.2392
30 L A 3.8516
31 L A 3.8669
32 L A 3.7053
33 L A 2.8022
34 A A 1.1195
35 G A -0.0375
36 P A -0.4685
37 G A -0.6531
38 A A -0.2898
39 A A -0.1609
40 A A -0.1139
41 P A -0.0385
42 P A -0.2004
43 C A -0.0374
44 L A 0.5489
45 D A -1.2974
46 G A -0.8699
47 S A -0.9262
48 P A -0.8783
49 C A 0.0000
50 A A -1.3956
51 N A -1.5886
52 G A -1.3387
53 G A 0.0000
54 R A -1.2990
55 Y A -0.2441
56 T A -0.6891
57 Q A -1.7026
58 L A -1.2419
59 P A -1.3142
60 S A -1.8010
61 R A -3.0426
62 E A -2.9487
63 A A -1.8669
64 A A -1.1685
65 C A -0.4296
66 L A 0.6140
67 C A -0.0746
68 P A -0.1643
69 P A -0.4274
70 G A -0.9776
71 W A -0.7967
72 V A -0.8254
73 G A -1.0545
74 E A -2.1837
75 R A -2.2633
76 C A 0.0000
77 Q A -1.7592
78 L A -1.4957
79 E A -2.2770
80 D A -1.5806
81 P A -1.3440
82 C A -0.9647
83 H A -1.5953
84 S A -1.1297
85 G A -0.8305
86 P A -0.3295
87 C A -0.7651
88 A A -0.5843
89 G A -0.8476
90 R A -1.6587
91 G A -1.1025
92 V A 0.3464
93 C A -0.3273
94 Q A -1.0016
95 S A -0.5264
96 S A -0.0489
97 V A 0.8030
98 V A 1.5542
99 A A 0.6504
100 G A -0.1505
101 T A -0.1572
102 A A 0.0000
103 R A -1.3331
104 F A -0.8254
105 S A -0.8160
106 C A -0.9307
107 R A -1.7579
108 C A -1.1898
109 P A -1.3128
110 R A -1.8479
111 G A -0.5889
112 F A -0.4479
113 R A -0.7501
114 G A -0.6587
115 P A -0.8721
116 D A -0.8500
117 C A 0.0000
118 S A -0.3584
119 L A 0.2831
120 P A -0.0992
121 D A -0.4302
122 P A -0.0364
123 C A -0.0605
124 L A 0.1810
125 S A 0.0100
126 S A -0.2698
127 P A -0.4370
128 C A -1.1304
129 A A -1.6312
130 H A -1.7498
131 G A -1.2957
132 A A -1.5582
133 R A -1.8412
134 C A -0.3086
135 S A -0.1377
136 V A 0.0312
137 G A -0.5813
138 P A -1.1634
139 D A -2.1475
140 G A -1.3692
141 R A -1.5518
142 F A -0.4442
143 L A 0.0876
144 C A -0.7036
145 S A -0.9282
146 C A -1.2960
147 P A -0.8277
148 P A -0.5338
149 G A -0.9841
150 Y A -1.8867
151 Q A -2.4175
152 G A -2.4619
153 R A -2.3408
154 S A -1.8782
155 C A 0.0000
156 R A -2.9700
157 S A -2.3461
158 D A -2.1020
159 V A -1.2471
160 D A -1.0743
161 E A -1.5871
162 C A -1.5114
163 R A -1.7434
164 V A 0.0641
165 G A -1.1117
166 E A -2.3730
167 P A -1.5820
168 C A 0.0000
169 R A -2.6443
170 H A -2.0832
171 G A -1.6954
172 G A -1.6865
173 T A -1.2458
174 C A -1.4428
175 L A -0.7458
176 N A -1.2614
177 T A 0.0000
178 P A -1.0193
179 G A -1.1716
180 S A -0.9072
181 F A -1.0057
182 R A -1.9064
183 C A -1.5919
184 Q A -1.3643
185 C A -1.2401
186 P A -0.6245
187 A A 0.1190
188 G A 0.0467
189 Y A -0.5872
190 T A -0.7199
191 G A -0.9368
192 P A -1.0608
193 L A -1.2844
194 C A 0.0000
195 E A -1.8534
196 N A -1.6370
197 P A -0.5809
198 A A 0.3362
199 V A 1.0793
200 P A -0.0052
201 C A -0.2523
202 A A 0.2150
203 P A -0.0339
204 S A -0.7634
205 P A -1.0420
206 C A -2.0619
207 R A -2.7649
208 N A -1.8348
209 G A -1.2967
210 G A -1.5011
211 T A -1.2014
212 C A -1.8503
213 R A -2.9362
214 Q A -2.3943
215 S A -1.7502
216 G A -1.3679
217 D A -1.1155
218 L A 0.7471
219 T A -0.4760
220 Y A -1.5624
221 D A -2.7995
222 C A 0.0000
223 A A -0.9175
224 C A -0.7755
225 L A 0.1116
226 P A 0.0107
227 G A -0.3621
228 F A -0.8634
229 E A -1.8916
230 G A -1.6758
231 Q A -2.2525
232 N A -2.1691
233 C A 0.0000
234 E A -1.7694
235 V A -0.5681
236 N A -0.5128
237 V A -0.5885
238 D A -1.6805
239 D A -1.9239
240 C A -1.6582
241 P A -1.5042
242 G A -1.3721
243 H A -1.6479
244 R A -1.9911
245 C A -0.9394
246 L A 0.1219
247 N A -0.6379
248 G A -0.5832
249 G A -0.7842
250 T A -0.6275
251 C A -0.6214
252 V A -0.2982
253 D A -0.9857
254 G A -0.2809
255 V A 0.6664
256 N A -0.8137
257 T A -0.7743
258 Y A -1.3555
259 N A -1.8251
260 C A -1.2845
261 Q A -1.3693
262 C A -1.1115
263 P A -0.6266
264 P A -0.6868
265 E A -1.2797
266 W A -1.2133
267 T A -1.5666
268 G A -1.5941
269 Q A -1.9035
270 F A -1.3306
271 C A 0.0000
272 T A -1.1908
273 E A -2.1405
274 D A -1.5106
275 V A -1.3511
276 D A -1.9183
277 E A -1.3454
278 C A -1.0563
279 Q A -1.3966
280 L A -0.2845
281 Q A -1.6264
282 P A -1.5038
283 N A -2.1794
284 A A -1.4674
285 C A 0.0000
286 H A -2.1496
287 N A -1.6481
288 G A -0.9704
289 G A -0.1590
290 T A 0.7315
291 C A 0.3978
292 F A 1.5572
293 N A -0.1726
294 T A 0.3229
295 L A 0.6230
296 G A -0.4927
297 G A -0.2985
298 H A -0.3834
299 S A 0.2301
300 C A 0.7275
301 V A 1.9676
302 C A 0.4051
303 V A 0.6723
304 N A -0.3104
305 G A 0.0000
306 W A -0.3021
307 T A -0.9086
308 G A -1.3350
309 E A -2.0541
310 S A -1.5441
311 C A 0.0000
312 S A -1.6824
313 Q A -1.9937
314 N A -1.3003
315 I A -0.8013
316 D A -1.9371
317 D A -0.9099
318 C A -0.6053
319 A A -0.3609
320 T A -0.1835
321 A A 0.1500
322 V A 0.8479
323 C A 0.9899
324 F A 0.5112
325 H A -0.9096
326 G A -0.5925
327 A A 0.0197
328 T A 0.0385
329 C A -0.0463
330 H A -0.9926
331 D A -1.4265
332 R A -1.5065
333 V A 0.1348
334 A A -0.2625
335 S A -0.5029
336 F A -0.0356
337 Y A 0.7916
338 C A 1.0356
339 A A 0.5389
340 C A 0.5184
341 P A 0.1785
342 M A 0.7531
343 G A -0.0706
344 K A -0.8727
345 T A -0.4498
346 G A 0.5483
347 L A 2.0108
348 L A 0.0000
349 C A 0.0000
350 H A -0.3316
351 L A -1.0325
352 D A -2.1544
353 D A -1.5734
354 A A -1.2308
355 C A -0.4651
356 V A 0.4032
357 S A -0.2379
358 N A -0.8771
359 P A -0.8512
360 C A 0.0000
361 H A 0.0000
362 E A -2.0498
363 D A -0.9028
364 A A -0.0073
365 I A 1.4790
366 C A 0.2093
367 D A -0.9968
368 T A 0.0000
369 N A -0.8675
370 P A -0.1497
371 V A 0.9909
372 N A -0.9065
373 G A -1.7099
374 R A -2.2121
375 A A -0.9120
376 I A 0.5129
377 C A 0.1986
378 T A 0.6320
379 C A 0.0922
380 P A 0.0000
381 P A -0.5039
382 G A -0.8738
383 F A 0.0000
384 T A -1.0019
385 G A -1.1553
386 G A -0.7168
387 A A -0.9433
388 C A 0.0000
389 D A -2.8557
390 Q A -2.5185
391 D A -2.1733
392 V A -0.9341
393 D A -0.7132
394 E A -0.6918
395 C A -0.1496
396 S A -0.1183
397 I A 0.2280
398 G A -0.6697
399 A A -0.7860
400 N A -1.8103
401 P A -1.3741
402 C A 0.0000
403 E A -2.8373
404 H A -1.6017
405 L A -0.1388
406 G A 0.0000
407 R A -2.2349
408 C A 0.0000
409 V A 0.2344
410 N A -0.1137
411 T A -0.4265
412 Q A -1.8707
413 G A -1.4850
414 S A -0.4249
415 F A 0.1974
416 L A 0.4644
417 C A 0.0000
418 Q A -1.6153
419 C A -1.7642
420 G A -1.3365
421 R A -1.9561
422 G A -1.2373
423 Y A -1.4145
424 T A -1.6918
425 G A -1.4431
426 P A -1.3183
427 R A -2.7634
428 C A 0.0000
429 E A -2.8436
430 T A -1.9269
431 D A -1.9168
432 V A -0.9773
433 N A -0.8023
434 E A -0.8834
435 C A -0.1248
436 L A 0.9549
437 S A 0.0854
438 G A -0.5038
439 P A -0.4102
440 C A -0.7887
441 R A -2.1972
442 N A -1.9507
443 Q A -1.6918
444 A A -0.3666
445 T A 0.3547
446 C A 0.4083
447 L A 0.1810
448 D A -0.9348
449 R A -1.4882
450 I A -0.0628
451 G A 0.0000
452 Q A -1.5130
453 F A -0.3902
454 T A 0.2805
455 C A 1.0883
456 I A 2.1887
457 C A 0.9878
458 M A 0.3147
459 A A 0.3709
460 G A -0.6315
461 F A -0.1599
462 T A 0.2402
463 G A 0.0352
464 T A 0.2735
465 Y A 0.2219
466 C A 0.0000
467 E A -1.0470
468 V A -0.2480
469 D A -1.7462
470 I A -1.2310
471 D A -3.2138
472 E A -3.1051
473 C A -2.2485
474 Q A -2.2547
475 S A -1.3909
476 S A -0.6653
477 P A -0.0579
478 C A 0.3327
479 V A 0.5958
480 N A -0.7298
481 G A -0.2730
482 G A 0.3848
483 V A 1.2680
484 C A -0.5188
485 K A -2.2456
486 D A -3.6229
487 R A -2.8984
488 V A -0.6439
489 N A -1.5069
490 G A -1.5100
491 F A -1.7002
492 S A -0.8686
493 C A 0.2109
494 T A 0.3903
495 C A 0.3738
496 P A -0.3072
497 S A -0.9027
498 G A -1.7938
499 F A -1.0361
500 S A -0.5687
501 G A -0.4834
502 S A -0.2151
503 T A 0.0750
504 C A 0.0000
505 Q A -0.9507
506 L A -0.2663
507 D A -2.4401
508 V A -1.9013
509 D A -3.0172
510 E A -2.8802
511 C A -1.8633
512 A A -1.0231
513 S A -0.7227
514 T A -1.0136
515 P A -0.8973
516 C A 0.0000
517 R A -3.4990
518 N A -3.1539
519 G A -2.4306
520 A A -2.9251
521 K A -3.0287
522 C A -2.2774
523 V A -2.2449
524 D A -3.6225
525 Q A -3.2333
526 P A -2.5765
527 D A -3.0036
528 G A -2.3765
529 Y A -2.3582
530 E A -2.6638
531 C A -2.4566
532 R A -3.0855
533 C A -2.8236
534 A A -2.0564
535 E A -1.8045
536 G A -0.9986
537 F A -2.1643
538 E A -2.6987
539 G A -2.0578
540 T A -1.5198
541 L A -1.9891
542 C A 0.0000
543 D A -3.6039
544 R A -3.3372
545 N A -2.1471
546 V A -1.5414
547 D A -2.4331
548 D A -1.7421
549 C A -1.9875
550 S A -1.7163
551 P A -1.5711
552 D A -2.7880
553 P A -1.7216
554 C A 0.0000
555 H A -2.5671
556 H A -2.0914
557 G A -1.9130
558 R A -2.3725
559 C A -1.5362
560 V A -0.7035
561 D A -1.7431
562 G A -0.0463
563 I A 0.9047
564 A A -0.0344
565 S A 0.1346
566 F A -0.3080
567 S A -0.4789
568 C A -1.0995
569 A A -0.5998
570 C A -1.0413
571 A A -0.8917
572 P A -0.7224
573 G A -0.9663
574 Y A -1.1738
575 T A -1.0857
576 G A -1.3330
577 T A -1.0345
578 R A -2.3746
579 C A 0.0000
580 E A -2.7892
581 S A -1.8664
582 Q A -1.5558
583 V A -1.4588
584 D A -2.2294
585 E A -2.2154
586 C A -2.2504
587 R A -2.8834
588 S A -1.8898
589 Q A -2.4868
590 P A -1.4390
591 C A -1.8034
592 R A -2.8724
593 H A -2.0666
594 G A -2.2448
595 G A -2.3061
596 K A -2.6310
597 C A 0.0000
598 L A -0.8860
599 D A -1.6311
600 L A -0.2939
601 V A -0.0184
602 D A -2.1230
603 K A -1.8649
604 Y A -0.3324
605 L A 0.7036
606 C A -0.8481
607 R A -2.0217
608 C A -1.2621
609 P A -1.2164
610 S A -0.5176
611 G A -0.6638
612 T A 0.0000
613 T A 0.2376
614 G A 0.4370
615 V A 1.5055
616 N A -0.4343
617 C A 0.0000
618 E A -0.6287
619 V A 0.5202
620 N A -0.4584
621 I A -0.2253
622 D A -2.1418
623 D A -2.6668
624 C A 0.0000
625 A A -1.0439
626 S A -1.2037
627 N A -1.1592
628 P A -0.4758
629 C A 0.0000
630 T A 0.3069
631 F A 0.8103
632 G A 0.6915
633 V A 1.3206
634 C A -0.5253
635 R A -2.5156
636 D A -2.4978
637 G A -1.8463
638 I A -0.5307
639 N A -1.9832
640 R A -2.8812
641 Y A -2.4343
642 D A -2.0952
643 C A -0.1497
644 V A 1.0020
645 C A 0.7185
646 Q A -0.4052
647 P A -1.0182
648 G A 0.0000
649 F A -0.5098
650 T A 0.2965
651 G A 0.2642
652 P A -0.1527
653 L A 0.5536
654 C A 0.0000
655 N A -0.4136
656 V A 0.6002
657 E A -1.5335
658 I A -0.9463
659 N A -1.6962
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1996 A A 0.0000
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1998 R A -1.4232
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2243 P A -0.1502
2244 Y A 1.5528
2245 L A 1.9749
2246 T A 0.8254
2247 P A -0.3068
2248 S A -0.9426
2249 P A -1.3491
2250 E A -2.1924
2251 S A -1.8082
2252 P A -1.8691
2253 E A -2.2432
2254 H A -1.4453
2255 W A 0.2362
2256 A A 0.0901
2257 S A -0.1520
2258 P A -0.5219
2259 S A -0.6142
2260 P A -0.6086
2261 P A -0.2181
2262 S A 0.0774
2263 L A 0.9744
2264 S A -0.0246
2265 D A -1.1110
2266 W A -0.2596
2267 S A -1.1345
2268 E A -2.0049
2269 S A -1.3044
2270 T A -0.8614
2271 P A -0.6923
2272 S A -0.5153
2273 P A -0.4150
2274 A A -0.1751
2275 T A -0.1798
2276 A A -0.1347
2277 T A -0.2789
2278 G A -0.2095
2279 A A 0.3106
2280 M A 0.9835
2281 A A 0.5764
2282 T A 0.1401
2283 T A -0.1267
2284 T A -0.3585
2285 G A -0.1225
2286 A A 0.5239
2287 L A 1.2326
2288 P A 0.2751
2289 A A -0.2489
2290 Q A -0.8200
2291 P A 0.0406
2292 L A 1.3971
2293 P A 1.3135
2294 L A 2.0944
2295 S A 1.5516
2296 V A 1.8204
2297 P A 0.5617
2298 S A 0.3596
2299 S A 0.5888
2300 L A 1.1569
2301 A A 0.2787
2302 Q A -1.0587
2303 A A -1.1496
2304 Q A -1.7295
2305 T A -0.9778
2306 Q A -0.8219
2307 L A 0.6163
2308 G A -0.2531
2309 P A -0.8004
2310 Q A -1.9620
2311 P A -1.5215
2312 E A -1.3317
2313 V A 0.5275
2314 T A -0.1100
2315 P A -1.3231
2316 K A -2.6917
2317 R A -2.7379
2318 Q A -1.3107
2319 V A 1.3282
2320 L A 1.9712
2321 A A 1.2243
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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 -0.1025 7.0536 View CSV PDB
4.5 -0.1873 7.0536 View CSV PDB
5.0 -0.2898 7.0536 View CSV PDB
5.5 -0.3959 7.0536 View CSV PDB
6.0 -0.4931 7.0536 View CSV PDB
6.5 -0.5738 7.0536 View CSV PDB
7.0 -0.6374 7.0536 View CSV PDB
7.5 -0.6888 7.0536 View CSV PDB
8.0 -0.7317 7.0536 View CSV PDB
8.5 -0.7646 7.0536 View CSV PDB
9.0 -0.784 7.0536 View CSV PDB