Project name: M1103V_10

Status: done

Started: 2026-08-11 00:09:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYVGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:41)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:41)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:00)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4ea68241618fbd0/tmp/folded.pdb                (00:35:00)
[INFO]       Main:     Simulation completed successfully.                                          (01:10:49)
Show buried residues

Minimal score value
-4.8538
Maximal score value
5.893
Average score
-0.7617
Total score value
-1767.8741

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 0.7138
2 G A -0.1685
3 P A -0.6516
4 G A -1.0260
5 A A -1.2976
6 R A -2.5728
7 G A -2.9113
8 R A -4.0078
9 R A -4.4171
10 R A -4.8538
11 R A -4.7778
12 R A -4.2621
13 R A -3.2519
14 P A -1.4318
15 M A -0.0346
16 S A -0.2281
17 P A -0.3454
18 P A -0.5209
19 P A -0.6981
20 P A -0.7189
21 P A -0.4003
22 P A -0.3773
23 P A -0.1602
24 V A 0.8792
25 R A -0.6362
26 A A 0.5418
27 L A 1.7955
28 P A 1.7235
29 L A 3.3059
30 L A 3.9187
31 L A 3.9812
32 L A 3.7501
33 L A 2.8441
34 A A 1.1810
35 G A 0.0041
36 P A -0.4530
37 G A -0.6665
38 A A -0.2963
39 A A -0.7411
40 A A -0.7212
41 P A -0.4613
42 P A -0.9517
43 C A -0.6961
44 L A 0.4834
45 D A -1.2949
46 G A -0.9421
47 S A -1.1514
48 P A -1.1378
49 C A 0.0000
50 A A -1.5343
51 N A -1.7542
52 G A -1.3401
53 G A 0.0000
54 R A -1.7813
55 C A 0.0000
56 T A -0.9838
57 Q A -2.1271
58 L A -1.1438
59 P A -1.2023
60 S A -1.6740
61 R A -2.9884
62 E A -2.9146
63 A A -1.7447
64 A A -1.3470
65 C A -1.0131
66 L A 0.5157
67 C A -0.2334
68 P A -0.1731
69 P A -0.4199
70 G A -0.9771
71 W A -0.8556
72 V A -0.8717
73 G A -1.1469
74 E A -2.3285
75 R A -2.6791
76 C A 0.0000
77 Q A -1.8517
78 L A -1.5443
79 E A -2.2770
80 D A -1.5684
81 P A -1.3548
82 C A -0.9525
83 H A -1.5260
84 S A -1.1475
85 G A -0.8610
86 P A -0.4007
87 C A -0.7912
88 A A -0.5721
89 G A -1.0989
90 R A -1.6883
91 G A -1.0572
92 V A 0.4691
93 C A -0.2336
94 Q A -0.7347
95 S A -0.4911
96 S A -0.0403
97 V A 0.7781
98 V A 1.5783
99 A A 0.6276
100 G A -0.1702
101 T A -0.1673
102 A A 0.0000
103 R A -1.3617
104 F A -0.5386
105 S A -0.8104
106 C A -0.8949
107 R A -1.7099
108 C A -1.0696
109 P A -1.2606
110 R A -1.7413
111 G A -0.2695
112 F A -0.1245
113 R A -0.5636
114 G A -0.5578
115 P A -0.7483
116 D A -0.7933
117 C A 0.0000
118 S A -0.0683
119 L A 0.5560
120 P A 0.1895
121 D A -0.0853
122 P A 0.0908
123 C A 0.2048
124 L A 0.7232
125 S A 0.2393
126 S A -0.1359
127 P A -0.3935
128 C A -1.1697
129 A A -1.5314
130 H A -1.7564
131 G A -1.3098
132 A A -1.4534
133 R A -1.8623
134 C A -0.4868
135 S A -0.2115
136 V A -0.0330
137 G A -0.7522
138 P A -1.2602
139 D A -2.3037
140 G A -1.5609
141 R A -1.9955
142 F A -0.6257
143 L A -0.1101
144 C A -0.7995
145 S A -0.9358
146 C A -1.2877
147 P A -0.7942
148 P A -0.5169
149 G A -0.8794
150 Y A -1.7923
151 Q A -2.4243
152 G A -2.4971
153 R A -2.4322
154 S A -1.7626
155 C A 0.0000
156 R A -2.9796
157 S A -2.3612
158 D A -2.0911
159 V A -1.2967
160 D A -1.1901
161 E A -1.6128
162 C A -1.5524
163 R A -1.7859
164 V A 0.0679
165 G A -1.0656
166 E A -2.3695
167 P A -1.6555
168 C A 0.0000
169 R A -3.0012
170 H A -2.1202
171 G A -1.7268
172 G A -1.7637
173 T A -1.3387
174 C A -1.5199
175 L A -1.0068
176 N A -1.2753
177 T A -0.8440
178 P A -1.0118
179 G A -1.1360
180 S A -0.8514
181 F A -0.9375
182 R A -1.8888
183 C A -1.6702
184 Q A -1.5609
185 C A -1.2266
186 P A -0.6299
187 A A 0.1672
188 G A 0.1308
189 Y A -0.3939
190 T A -0.6977
191 G A -0.9468
192 P A -1.0761
193 L A -1.3702
194 C A 0.0000
195 E A -1.7322
196 N A -1.5685
197 P A -0.5027
198 A A 0.3983
199 V A 1.1606
200 P A 0.0000
201 C A -0.2346
202 A A 0.3085
203 P A 0.0443
204 S A -0.6870
205 P A -0.9904
206 C A 0.0000
207 R A -2.8461
208 N A -1.9006
209 G A -1.2031
210 G A -1.5125
211 T A -1.2064
212 C A -1.8539
213 R A -2.9351
214 Q A -2.4352
215 S A -1.8017
216 G A -1.4882
217 D A -1.2720
218 L A 0.4690
219 T A -0.6494
220 Y A -1.6351
221 D A -2.8171
222 C A 0.0000
223 A A -0.9258
224 C A -0.8227
225 L A 0.1427
226 P A 0.0179
227 G A -0.4062
228 F A -0.9853
229 E A -2.0027
230 G A -1.8234
231 Q A -2.3380
232 N A -2.2253
233 C A 0.0000
234 E A -1.9159
235 V A -0.8206
236 N A -0.6717
237 V A -0.7222
238 D A -1.6985
239 D A -1.9163
240 C A -1.6544
241 P A -1.3987
242 G A -1.3790
243 H A -1.6985
244 R A -2.1910
245 C A 0.0000
246 L A -0.2696
247 N A -1.0376
248 G A -0.7231
249 G A -0.9271
250 T A -0.6635
251 C A -0.8455
252 V A -0.2835
253 D A -0.9491
254 G A -0.2757
255 V A 0.6542
256 N A -0.8153
257 T A -0.7606
258 Y A -1.3302
259 N A -1.7790
260 C A -1.3536
261 Q A -1.3852
262 C A -1.1995
263 P A -0.6731
264 P A -0.7011
265 E A -1.1507
266 W A -1.2008
267 T A -1.5268
268 G A -1.5232
269 Q A -1.9613
270 F A -1.4861
271 C A 0.0000
272 T A -1.3032
273 E A -2.1237
274 D A -1.3693
275 V A -1.0333
276 D A -1.3154
277 E A -1.2773
278 C A -0.9149
279 Q A -1.2338
280 L A -0.1556
281 Q A -1.5672
282 P A -1.5040
283 N A -2.1462
284 A A -1.4242
285 C A 0.0000
286 H A -1.9551
287 N A -1.5806
288 G A -0.8949
289 G A -0.1026
290 T A 0.7305
291 C A 0.4283
292 F A 1.5517
293 N A -0.0171
294 T A 0.4091
295 L A 0.7585
296 G A -0.4110
297 G A -0.2050
298 H A -0.3358
299 S A 0.1866
300 C A 0.7265
301 V A 1.9603
302 C A 0.4726
303 V A 0.7333
304 N A -0.1902
305 G A 0.0000
306 W A -0.4407
307 T A -0.7922
308 G A -1.2331
309 E A -1.9997
310 S A -1.4816
311 C A 0.0000
312 S A -1.5583
313 Q A -1.8731
314 N A -1.2097
315 I A -0.6105
316 D A -1.7618
317 D A -0.9008
318 C A -0.5889
319 A A -0.3755
320 T A -0.1670
321 A A 0.0283
322 V A 0.3523
323 C A 0.4242
324 F A -0.0429
325 H A -1.3213
326 G A -0.8405
327 A A -0.1927
328 T A -0.0310
329 C A -0.0732
330 H A -0.7345
331 D A -1.3021
332 R A -1.5602
333 V A -0.1382
334 A A -0.3890
335 S A -0.6447
336 F A -0.2973
337 Y A 0.5929
338 C A 0.7791
339 A A 0.6652
340 C A 0.4506
341 P A -0.0501
342 M A 0.6928
343 G A -0.1474
344 K A -1.0595
345 T A -0.6384
346 G A 0.1521
347 L A 1.4820
348 L A 0.0000
349 C A 0.0000
350 H A -0.6403
351 L A -1.1471
352 D A -2.2346
353 D A -1.3523
354 A A -1.1240
355 C A -0.4484
356 V A 0.7017
357 S A -0.1639
358 N A -1.1896
359 P A -0.9810
360 C A -1.4716
361 H A -2.3957
362 E A -3.1232
363 D A -2.7612
364 A A -1.5442
365 I A -0.4136
366 C A -0.5950
367 D A -0.9602
368 T A 0.0000
369 N A 0.0000
370 P A -0.5833
371 V A -0.0675
372 N A -0.8182
373 G A -1.6780
374 R A -1.9125
375 A A 0.0000
376 I A 0.4695
377 C A -0.2769
378 T A 0.0067
379 C A -0.5481
380 P A -0.6442
381 P A -0.5659
382 G A -0.8337
383 F A -1.3616
384 T A -0.9996
385 G A -1.1931
386 G A -0.7760
387 A A -1.1016
388 C A 0.0000
389 D A -2.7000
390 Q A -1.9625
391 D A -1.7781
392 V A 0.0000
393 D A -1.2114
394 E A -1.1811
395 C A -0.4145
396 S A -0.4871
397 I A -0.6767
398 G A 0.0000
399 A A -0.6735
400 N A -0.9086
401 P A -0.8262
402 C A 0.0000
403 E A -2.5545
404 H A -1.4730
405 L A -0.1373
406 G A 0.0000
407 R A -1.5684
408 C A -0.5996
409 V A 0.2841
410 N A -0.4117
411 T A -0.5191
412 Q A -1.6391
413 G A -1.1452
414 S A -0.4716
415 F A 0.1640
416 L A 0.7251
417 C A -0.7047
418 Q A -1.4244
419 C A -1.6684
420 G A -1.2343
421 R A -1.9174
422 G A -1.1719
423 Y A -1.2824
424 T A -1.5797
425 G A -1.5949
426 P A -1.3851
427 R A -2.6511
428 C A 0.0000
429 E A -2.9461
430 T A -1.8865
431 D A -1.7256
432 V A -0.7962
433 N A -0.7208
434 E A -0.9231
435 C A -0.1611
436 L A 0.9451
437 S A 0.0701
438 G A -0.5050
439 P A -0.4101
440 C A -0.7956
441 R A -2.2178
442 N A -2.1847
443 Q A -1.8037
444 A A -0.3959
445 T A 0.3279
446 C A 0.3733
447 L A 0.1401
448 D A -0.8989
449 R A -1.3862
450 I A 0.0011
451 G A 0.0000
452 Q A -1.4798
453 F A -0.3993
454 T A 0.2714
455 C A 0.9949
456 I A 2.1829
457 C A 0.9812
458 M A 0.3104
459 A A 0.3624
460 G A 0.0000
461 F A -0.2022
462 T A 0.0226
463 G A 0.0136
464 T A 0.2866
465 Y A 0.2443
466 C A 0.0000
467 E A -1.2242
468 V A -0.3298
469 D A -1.7261
470 I A -1.2271
471 D A -2.9132
472 E A -2.4072
473 C A -1.8977
474 Q A -2.0711
475 S A -1.2096
476 S A -0.4207
477 P A -0.0586
478 C A 0.3085
479 V A 0.5418
480 N A -0.7381
481 G A -0.2551
482 G A 0.3831
483 V A 1.2733
484 C A -0.4027
485 K A -2.0633
486 D A -3.3927
487 R A -2.7468
488 V A -0.4682
489 N A -1.3539
490 G A -1.2995
491 F A -1.4115
492 S A -0.6802
493 C A 0.2379
494 T A 0.3966
495 C A 0.3481
496 P A -0.3629
497 S A -0.9958
498 G A -1.9674
499 F A -1.0757
500 S A -0.6340
501 G A -0.5364
502 S A -0.2334
503 T A 0.0487
504 C A 0.0000
505 Q A -1.0011
506 L A -0.3794
507 D A -2.5397
508 V A -1.9485
509 D A -2.9262
510 E A -2.7599
511 C A -1.6894
512 A A -1.0148
513 S A -0.7206
514 T A -0.9441
515 P A -0.8132
516 C A 0.0000
517 R A -3.2054
518 N A -3.1898
519 G A -2.3952
520 A A -2.9399
521 K A -2.9427
522 C A -2.2171
523 V A -1.8655
524 D A -3.1636
525 Q A -2.7769
526 P A -2.5208
527 D A -2.9092
528 G A -2.1513
529 Y A -1.9962
530 E A -2.1793
531 C A -2.2943
532 R A -2.9191
533 C A -3.0574
534 A A -2.0499
535 E A -1.9313
536 G A -1.0428
537 F A -2.4868
538 E A -3.4525
539 G A -2.4136
540 T A -1.5530
541 L A -1.8551
542 C A 0.0000
543 D A -3.7846
544 R A -3.7254
545 N A -2.1111
546 V A -1.3818
547 D A -1.5488
548 D A -1.0803
549 C A -1.4047
550 S A -1.4515
551 P A -1.4825
552 D A -2.5877
553 P A -1.9132
554 C A 0.0000
555 H A -2.4912
556 H A -1.9500
557 G A -1.7571
558 R A -2.1134
559 C A -1.0445
560 V A 0.3569
561 D A -0.4831
562 G A 0.5622
563 I A 1.2896
564 A A 0.0662
565 S A 0.2105
566 F A 0.1735
567 S A -0.1343
568 C A -0.8274
569 A A -0.3785
570 C A -0.9146
571 A A -0.8316
572 P A -0.6427
573 G A -0.8429
574 Y A -0.8923
575 T A -0.8738
576 G A -1.2069
577 T A -0.9896
578 R A -2.2512
579 C A 0.0000
580 E A -2.4637
581 S A -1.6525
582 Q A -1.5439
583 V A -1.2634
584 D A -2.2039
585 E A -2.5832
586 C A -2.4708
587 R A -2.9507
588 S A -2.0000
589 Q A -2.7602
590 P A -1.7008
591 C A 0.0000
592 R A -2.8868
593 H A -1.7685
594 G A -2.0581
595 G A -2.3357
596 K A -2.9134
597 C A 0.0000
598 L A -1.2017
599 D A -2.0380
600 L A -0.2530
601 V A 0.0608
602 D A -2.0981
603 K A -1.9711
604 Y A -0.7273
605 L A 0.0498
606 C A -1.1628
607 R A -2.1459
608 C A -1.2898
609 P A -1.2168
610 S A -0.5206
611 G A -0.6199
612 T A 0.0000
613 T A 0.0776
614 G A 0.2166
615 V A 1.3102
616 N A -0.5879
617 C A 0.0000
618 E A -0.6156
619 V A 0.5256
620 N A -0.6187
621 I A 0.0034
622 D A -2.1959
623 D A -3.0072
624 C A -2.1541
625 A A -1.1298
626 S A -1.2582
627 N A -1.4311
628 P A -0.4618
629 C A 0.2608
630 T A 0.6554
631 F A 1.6435
632 G A 0.9548
633 V A 1.1016
634 C A -0.7018
635 R A -2.7284
636 D A -2.7266
637 G A -2.0734
638 I A -0.6999
639 N A -2.0972
640 R A -3.0972
641 Y A -2.7735
642 D A -2.2200
643 C A -0.0666
644 V A 1.0801
645 C A 0.8241
646 Q A -0.5087
647 P A -1.1139
648 G A -1.6232
649 F A -0.4159
650 T A 0.3658
651 G A 0.1868
652 P A -0.0446
653 L A 0.9129
654 C A 0.0000
655 N A -0.2260
656 V A 0.6626
657 E A -1.4806
658 I A -1.0794
659 N A -2.0644
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2245 L A 1.8990
2246 T A 0.8204
2247 P A -0.0834
2248 S A -0.8158
2249 P A -1.4151
2250 E A -2.3881
2251 S A -1.7929
2252 P A -1.8751
2253 E A -2.3715
2254 H A -1.3412
2255 W A 0.1239
2256 A A 0.0344
2257 S A -0.1537
2258 P A -0.4063
2259 S A -0.5947
2260 P A -0.4629
2261 P A -0.2712
2262 S A 0.2886
2263 L A 0.8432
2264 S A -0.1354
2265 D A -1.0052
2266 W A -0.3091
2267 S A -0.9512
2268 E A -1.8254
2269 S A -1.2955
2270 T A -0.8058
2271 P A -0.7140
2272 S A -0.4989
2273 P A -0.4168
2274 A A -0.1758
2275 T A -0.1368
2276 A A -0.1336
2277 T A -0.1583
2278 G A -0.2429
2279 A A 0.3569
2280 M A 0.9803
2281 A A 0.5371
2282 T A 0.1862
2283 T A -0.1220
2284 T A -0.3677
2285 G A -0.1549
2286 A A 0.5413
2287 L A 1.2376
2288 P A 0.2292
2289 A A -0.1252
2290 Q A -0.8342
2291 P A 0.0058
2292 L A 1.4022
2293 P A 1.2223
2294 L A 2.1477
2295 S A 1.4564
2296 V A 1.8528
2297 P A 0.7458
2298 S A 0.4725
2299 S A 0.8834
2300 L A 1.1956
2301 A A 0.4325
2302 Q A -0.9419
2303 A A -1.0782
2304 Q A -1.5480
2305 T A -1.0061
2306 Q A -0.8998
2307 L A 0.3711
2308 G A -0.4744
2309 P A -1.1312
2310 Q A -1.5683
2311 P A -1.4895
2312 E A -1.4130
2313 V A 0.5891
2314 T A -0.1929
2315 P A -1.3456
2316 K A -3.1159
2317 R A -3.0516
2318 Q A -1.1633
2319 V A 1.4984
2320 L A 2.1776
2321 A A 1.2653
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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 -0.0713 6.7631 View CSV PDB
4.5 -0.1559 6.7631 View CSV PDB
5.0 -0.258 6.7631 View CSV PDB
5.5 -0.3634 6.7631 View CSV PDB
6.0 -0.46 6.7631 View CSV PDB
6.5 -0.5399 6.7631 View CSV PDB
7.0 -0.6023 6.7631 View CSV PDB
7.5 -0.6525 6.7631 View CSV PDB
8.0 -0.6943 6.7631 View CSV PDB
8.5 -0.7262 6.7631 View CSV PDB
9.0 -0.7448 6.7631 View CSV PDB