Project name: C504G_10

Status: done

Started: 2026-06-12 06:46:24
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTGQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:04)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:04)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:04)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:04)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:16:59)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4974ba6cff178b9/tmp/folded.pdb                (00:16:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:26)
Show buried residues

Minimal score value
-4.6077
Maximal score value
5.4791
Average score
-0.7547
Total score value
-1751.7734

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 0.7132
2 G A -0.1936
3 P A -0.6387
4 G A -0.9729
5 A A -1.3616
6 R A -2.5454
7 G A -2.7397
8 R A -3.8898
9 R A -4.2748
10 R A -4.5245
11 R A -4.5566
12 R A -4.2429
13 R A -3.0358
14 P A -1.0740
15 M A 0.3133
16 S A -0.1225
17 P A -0.3122
18 P A -0.6197
19 P A -0.6269
20 P A -0.6181
21 P A -0.4348
22 P A -0.3166
23 P A -0.0412
24 V A 0.8618
25 R A -0.6774
26 A A 0.5250
27 L A 1.8036
28 P A 1.6776
29 L A 3.2455
30 L A 3.8632
31 L A 3.8831
32 L A 3.6794
33 L A 2.8022
34 A A 1.1387
35 G A -0.0004
36 P A -0.4234
37 G A -0.6603
38 A A -0.2910
39 A A -0.4429
40 A A -0.8185
41 P A -0.2758
42 P A -0.9004
43 C A -0.6043
44 L A 0.4045
45 D A -1.2951
46 G A -0.9482
47 S A -1.0542
48 P A 0.0000
49 C A -1.3284
50 A A -1.3659
51 N A -1.6588
52 G A -1.2729
53 G A 0.0000
54 R A -1.6727
55 C A 0.0000
56 T A -0.8786
57 Q A -1.7716
58 L A -1.0537
59 P A -1.1799
60 S A -1.7046
61 R A -2.9505
62 E A -2.8843
63 A A -1.6088
64 A A -1.2783
65 C A -0.8390
66 L A 0.5891
67 C A -0.3371
68 P A -0.1938
69 P A -0.4489
70 G A -1.0134
71 W A -0.8982
72 V A -0.8833
73 G A -1.0355
74 E A -2.0754
75 R A -2.1246
76 C A 0.0000
77 Q A -1.7696
78 L A -1.5387
79 E A -2.2980
80 D A -1.6863
81 P A -1.4496
82 C A -1.0626
83 H A -1.6477
84 S A -1.1456
85 G A -0.8546
86 P A -0.3840
87 C A -0.7693
88 A A -0.4951
89 G A -0.9830
90 R A -1.6361
91 G A -1.0744
92 V A 0.4121
93 C A -0.3785
94 Q A -1.1175
95 S A -0.7145
96 S A -0.2357
97 V A 0.5515
98 V A 1.5050
99 A A 0.5949
100 G A -0.2459
101 T A -0.1683
102 A A 0.0000
103 R A -1.4804
104 F A -0.7639
105 S A -0.9505
106 C A -0.9943
107 R A -1.7548
108 C A -1.0603
109 P A -1.2576
110 R A -1.7668
111 G A -0.3462
112 F A -0.1442
113 R A -0.5795
114 G A -0.5103
115 P A -0.7247
116 D A -0.7215
117 C A 0.0000
118 S A -0.0188
119 L A 0.5047
120 P A 0.1403
121 D A -0.1304
122 P A 0.0535
123 C A 0.2133
124 L A 0.4934
125 S A 0.1316
126 S A -0.2228
127 P A -0.4517
128 C A -1.1967
129 A A -1.6689
130 H A -1.7355
131 G A -1.3018
132 A A -1.5774
133 R A -1.8832
134 C A -0.3596
135 S A -0.1522
136 V A 0.0560
137 G A -0.6687
138 P A -1.2284
139 D A -2.2716
140 G A -1.5054
141 R A -1.9293
142 F A -0.6081
143 L A -0.0741
144 C A -0.8101
145 S A -0.9522
146 C A -1.3110
147 P A -0.8051
148 P A -0.5198
149 G A -0.8950
150 Y A -1.8802
151 Q A -2.4603
152 G A -2.4902
153 R A -2.4155
154 S A -1.9422
155 C A 0.0000
156 R A -2.9698
157 S A -2.3541
158 D A -2.0779
159 V A -1.3194
160 D A -1.2878
161 E A -1.5750
162 C A -1.5216
163 R A -1.7536
164 V A 0.0838
165 G A -1.0520
166 E A -2.4094
167 P A -1.7997
168 C A 0.0000
169 R A -3.0093
170 H A -2.1027
171 G A -1.7597
172 G A -1.7457
173 T A -1.2959
174 C A -1.4947
175 L A -0.7515
176 N A -1.2631
177 T A -0.8528
178 P A -1.0151
179 G A -1.1547
180 S A -0.8826
181 F A -1.0055
182 R A -1.8948
183 C A -1.6566
184 Q A -1.5552
185 C A -1.2643
186 P A -0.6375
187 A A 0.0378
188 G A 0.1305
189 Y A -0.5314
190 T A -0.6888
191 G A -0.9509
192 P A -1.0957
193 L A -1.3852
194 C A 0.0000
195 E A -1.7877
196 N A -1.5515
197 P A -0.4776
198 A A 0.3881
199 V A 1.0930
200 P A 0.0689
201 C A -0.2161
202 A A 0.2598
203 P A 0.0066
204 S A -0.6847
205 P A -1.0748
206 C A -2.0116
207 R A -2.6752
208 N A -1.8148
209 G A -1.2922
210 G A -1.4845
211 T A -1.1827
212 C A -1.8125
213 R A -2.9131
214 Q A -2.3776
215 S A -1.7589
216 G A -1.2506
217 D A -1.1549
218 L A 0.6303
219 T A -0.5238
220 Y A -1.5693
221 D A -2.7648
222 C A 0.0000
223 A A -0.9316
224 C A -0.8051
225 L A 0.0593
226 P A -0.0769
227 G A -0.4968
228 F A -0.9787
229 E A -1.9806
230 G A -1.9003
231 Q A -2.2482
232 N A -2.1134
233 C A 0.0000
234 E A -1.7395
235 V A -0.5617
236 N A -0.5969
237 V A -0.8452
238 D A -1.6160
239 D A -1.6166
240 C A -1.3816
241 P A -1.3244
242 G A -1.3166
243 H A -1.5964
244 R A -2.0432
245 C A 0.0000
246 L A 0.0513
247 N A -0.7027
248 G A -0.6180
249 G A -0.8135
250 T A -0.6071
251 C A -0.7367
252 V A -0.1742
253 D A -0.8687
254 G A -0.2231
255 V A 0.6561
256 N A -0.8066
257 T A -0.7135
258 Y A -1.2576
259 N A -1.7380
260 C A -1.2867
261 Q A -1.3634
262 C A -1.1257
263 P A -0.7812
264 P A -0.7563
265 E A -1.2454
266 W A -1.2228
267 T A -1.3765
268 G A -1.4110
269 Q A -1.8786
270 F A -1.3878
271 C A 0.0000
272 T A -1.2237
273 E A -2.1369
274 D A -1.5671
275 V A -1.1548
276 D A -1.3927
277 E A -1.2465
278 C A -0.9623
279 Q A -1.2606
280 L A -0.1857
281 Q A -1.5912
282 P A -1.5358
283 N A -2.1817
284 A A -1.3658
285 C A 0.0000
286 H A -2.0979
287 N A -1.6355
288 G A -0.9578
289 G A -0.1662
290 T A 0.6878
291 C A 0.3959
292 F A 1.5313
293 N A -0.0699
294 T A 0.3388
295 L A 0.6403
296 G A -0.4908
297 G A -0.2913
298 H A -0.3577
299 S A 0.1666
300 C A 0.6927
301 V A 1.9335
302 C A 0.3975
303 V A 0.6312
304 N A -0.3417
305 G A 0.0000
306 W A -0.4879
307 T A -0.8926
308 G A -1.3069
309 E A -2.0261
310 S A -1.5250
311 C A 0.0000
312 S A -1.6550
313 Q A -1.8192
314 N A -1.3157
315 I A -0.8236
316 D A -1.9990
317 D A -0.9710
318 C A -0.4406
319 A A -0.2212
320 T A 0.0357
321 A A 0.8508
322 V A 2.0931
323 C A 1.6649
324 F A 1.0210
325 H A -0.6221
326 G A -0.4552
327 A A 0.2247
328 T A 0.2508
329 C A 0.4600
330 H A -0.8053
331 D A -1.3465
332 R A -1.4920
333 V A -0.1019
334 A A -0.3187
335 S A -0.5124
336 F A 0.1685
337 Y A 1.1432
338 C A 0.0000
339 A A 0.5954
340 C A 0.5346
341 P A 0.1376
342 M A 0.6314
343 G A -0.2415
344 K A -1.1687
345 T A -0.4794
346 G A 0.6793
347 L A 2.2849
348 L A 1.7525
349 C A 0.0000
350 H A 0.0242
351 L A -1.0092
352 D A -2.3805
353 D A -1.7455
354 A A -1.4717
355 C A -0.8415
356 V A -0.3665
357 S A -0.8894
358 N A -1.3598
359 P A -0.9995
360 C A -1.1769
361 H A -2.2144
362 E A -2.8703
363 D A -2.3840
364 A A -0.8166
365 I A 1.0485
366 C A 0.0170
367 D A -1.0916
368 T A 0.0000
369 N A -0.6575
370 P A -0.0869
371 V A 1.0830
372 N A -0.9646
373 G A -1.6901
374 R A -2.1978
375 A A -0.9783
376 I A 0.4788
377 C A 0.0310
378 T A 0.4807
379 C A -0.2391
380 P A -0.3236
381 P A -0.4637
382 G A -0.8004
383 F A -1.4607
384 T A -1.2554
385 G A -1.4242
386 G A -0.8832
387 A A -1.2037
388 C A 0.0000
389 D A -2.9995
390 Q A -2.6412
391 D A -2.1130
392 V A -1.0350
393 D A -1.0224
394 E A -0.2323
395 C A -0.1062
396 S A 0.1225
397 I A 1.4128
398 G A 0.3434
399 A A -0.2780
400 N A -1.4469
401 P A -0.9797
402 C A 0.0000
403 E A -2.4557
404 H A -1.6641
405 L A -0.1184
406 G A 0.0000
407 R A -2.1338
408 C A 0.0000
409 V A 0.1562
410 N A -0.4177
411 T A -0.4419
412 Q A -1.6812
413 G A -1.1316
414 S A -0.2597
415 F A 0.5063
416 L A 1.0209
417 C A -0.8652
418 Q A -1.5039
419 C A -1.6448
420 G A -1.3494
421 R A -1.9717
422 G A -1.2734
423 Y A -1.2503
424 T A -1.5419
425 G A -1.4174
426 P A -1.0719
427 R A -2.3522
428 C A 0.0000
429 E A -2.3893
430 T A -1.6826
431 D A -1.7761
432 V A -0.8956
433 N A -0.8581
434 E A -0.9529
435 C A -0.1590
436 L A 0.9442
437 S A 0.0838
438 G A -0.4913
439 P A -0.4090
440 C A -1.0353
441 R A -2.3739
442 N A -2.1655
443 Q A -1.8053
444 A A -0.8978
445 T A -0.0253
446 C A 0.0237
447 L A -0.0921
448 D A -0.9802
449 R A -1.6223
450 I A -0.1098
451 G A 0.0000
452 Q A -1.5757
453 F A -0.6832
454 T A -0.1916
455 C A 0.0000
456 I A 0.2680
457 C A 0.0000
458 M A -0.5657
459 A A -0.1961
460 G A -0.8428
461 F A -0.6084
462 T A -0.3796
463 G A -0.1478
464 T A 0.0481
465 Y A -0.0064
466 C A 0.0000
467 E A -1.0933
468 V A -0.2353
469 D A -1.7633
470 I A -1.3832
471 D A -3.2034
472 E A -3.1161
473 C A -2.2638
474 Q A -2.2915
475 S A -1.3896
476 S A -0.5428
477 P A 0.0553
478 C A 0.2844
479 V A 0.5123
480 N A -0.8213
481 G A -0.3026
482 G A 0.3196
483 V A 1.1888
484 C A -0.6070
485 K A -2.3512
486 D A -3.6483
487 R A -2.8996
488 V A -0.6096
489 N A -1.5650
490 G A -1.5025
491 F A -1.5656
492 S A -0.7959
493 C A 0.1807
494 T A 0.3523
495 C A 0.3443
496 P A -0.2648
497 S A -1.0053
498 G A -1.9666
499 F A -1.0467
500 S A -0.4004
501 G A -0.4881
502 S A -0.2094
503 T A 0.0751
504 G A 0.0000
505 Q A -0.9392
506 L A -0.1992
507 D A -2.4256
508 V A -1.8328
509 D A -2.8636
510 E A -2.6875
511 C A -1.6630
512 A A -0.9778
513 S A -0.6911
514 T A -0.9053
515 P A -0.7309
516 C A 0.0000
517 R A -2.8636
518 N A -3.0718
519 G A -2.3049
520 A A -2.8456
521 K A -2.9289
522 C A -2.2040
523 V A -1.9132
524 D A -3.2503
525 Q A -2.8766
526 P A -2.5836
527 D A -2.9050
528 G A -2.1548
529 Y A -2.0264
530 E A -2.2554
531 C A -2.2810
532 R A -2.9022
533 C A -2.9347
534 A A -1.9906
535 E A -1.9097
536 G A -1.1515
537 F A -2.5013
538 E A -3.3738
539 G A -2.0779
540 T A -1.4723
541 L A -1.7812
542 C A 0.0000
543 D A -3.6822
544 R A -3.8059
545 N A -2.4378
546 V A -1.7340
547 D A -2.2699
548 D A -1.4393
549 C A -1.6574
550 S A -1.6825
551 P A -1.6015
552 D A -2.6887
553 P A -1.9941
554 C A 0.0000
555 H A -2.5697
556 H A -2.0376
557 G A -1.8007
558 R A -2.1170
559 C A 0.0000
560 V A 0.4163
561 D A -0.6378
562 G A 0.4126
563 I A 1.1414
564 A A -0.0569
565 S A 0.1085
566 F A -0.0312
567 S A -0.1512
568 C A -1.0220
569 A A -0.3897
570 C A -1.0980
571 A A -0.8407
572 P A -0.4336
573 G A -0.7122
574 Y A -0.9552
575 T A -0.9091
576 G A -1.2466
577 T A -1.0401
578 R A -2.3819
579 C A 0.0000
580 E A -2.6002
581 S A -1.7220
582 Q A -1.4859
583 V A -1.1036
584 D A -2.0393
585 E A -2.0242
586 C A -2.1523
587 R A -2.7650
588 S A -1.8556
589 Q A -2.7379
590 P A -1.4561
591 C A -1.7346
592 R A -2.6994
593 H A -1.7569
594 G A -2.0437
595 G A -2.2079
596 K A -2.7716
597 C A -1.7521
598 L A -0.9276
599 D A -1.9507
600 L A -0.1762
601 V A 0.1283
602 D A -1.9380
603 K A -1.6243
604 Y A -0.5562
605 L A 0.4458
606 C A -0.9725
607 R A -2.0437
608 C A -1.2906
609 P A -1.3318
610 S A -0.6050
611 G A -0.8390
612 T A 0.0000
613 T A 0.1246
614 G A 0.3927
615 V A 1.3601
616 N A -0.5084
617 C A 0.0000
618 E A -0.7067
619 V A 0.4990
620 N A -0.8392
621 I A -0.1329
622 D A -2.1519
623 D A -2.8552
624 C A -1.9317
625 A A -1.0246
626 S A -1.2011
627 N A -1.0646
628 P A -0.4578
629 C A 0.0477
630 T A 0.3653
631 F A 0.8766
632 G A 0.5747
633 V A 1.2119
634 C A -0.5997
635 R A -2.4448
636 D A -2.6159
637 G A -2.2211
638 I A -1.1494
639 N A -2.2999
640 R A -3.2243
641 Y A -2.7722
642 D A -2.2402
643 C A 0.0000
644 V A 0.5819
645 C A 0.2765
646 Q A -0.8372
647 P A -1.2748
648 G A 0.0000
649 F A -0.5984
650 T A 0.2521
651 G A 0.2545
652 P A -0.1490
653 L A 0.6252
654 C A 0.0000
655 N A -0.3781
656 V A 0.6107
657 E A -1.5035
658 I A -0.9113
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1995 F A 0.7173
1996 A A 0.0000
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1998 R A -1.4748
1999 E A -2.0760
2000 I A -1.5191
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2012 A A 0.0000
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2018 Q A -2.5094
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2243 P A -0.1688
2244 Y A 1.3661
2245 L A 1.8191
2246 T A 0.8510
2247 P A -0.0790
2248 S A -0.8175
2249 P A -1.4418
2250 E A -2.5059
2251 S A -1.9890
2252 P A -2.0027
2253 E A -2.6433
2254 H A -1.7851
2255 W A -0.8400
2256 A A -0.5781
2257 S A -0.6404
2258 P A -0.5417
2259 S A -0.6543
2260 P A -0.4454
2261 P A -0.2133
2262 S A 0.2976
2263 L A 1.1089
2264 S A 0.4253
2265 D A 0.2478
2266 W A 0.8833
2267 S A 0.0238
2268 E A -0.6549
2269 S A -0.5691
2270 T A -0.6034
2271 P A -0.6147
2272 S A -0.4917
2273 P A -0.4142
2274 A A -0.1828
2275 T A -0.1722
2276 A A -0.1347
2277 T A -0.2662
2278 G A -0.2318
2279 A A 0.3501
2280 M A 0.9968
2281 A A 0.5420
2282 T A 0.1312
2283 T A -0.2354
2284 T A -0.1773
2285 G A -0.1682
2286 A A 0.5419
2287 L A 1.2240
2288 P A 0.2196
2289 A A -0.2449
2290 Q A -0.8367
2291 P A 0.0135
2292 L A 1.4070
2293 P A 1.2015
2294 L A 2.1392
2295 S A 1.4587
2296 V A 1.8708
2297 P A 0.5387
2298 S A 0.2235
2299 S A 0.2935
2300 L A 1.1576
2301 A A 0.1606
2302 Q A -1.0920
2303 A A -1.2226
2304 Q A -1.5760
2305 T A -0.8847
2306 Q A -0.8654
2307 L A 0.4047
2308 G A -0.4543
2309 P A -0.9598
2310 Q A -1.5970
2311 P A -1.4829
2312 E A -1.3458
2313 V A 0.3561
2314 T A -0.1722
2315 P A -1.3739
2316 K A -2.8508
2317 R A -3.0251
2318 Q A -1.3381
2319 V A 1.5625
2320 L A 2.1729
2321 A A 1.1805
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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 -0.0603 6.614 View CSV PDB
4.5 -0.1436 6.614 View CSV PDB
5.0 -0.2451 6.614 View CSV PDB
5.5 -0.3503 6.614 View CSV PDB
6.0 -0.4463 6.614 View CSV PDB
6.5 -0.5256 6.614 View CSV PDB
7.0 -0.5879 6.614 View CSV PDB
7.5 -0.6387 6.614 View CSV PDB
8.0 -0.6818 6.614 View CSV PDB
8.5 -0.716 6.614 View CSV PDB
9.0 -0.7375 6.614 View CSV PDB