Project name: G481C

Status: done

Started: 2026-05-09 14:37:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNCGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:30)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:30)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:05)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/be5a86b8ec27106/tmp/folded.pdb                (00:33:05)
[INFO]       Main:     Simulation completed successfully.                                          (01:11:59)
Show buried residues

Minimal score value
-4.7788
Maximal score value
5.9253
Average score
-0.7545
Total score value
-1751.2486

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 -0.1747
3 P A -0.6579
4 G A -1.0638
5 A A -1.2925
6 R A -2.6021
7 G A -3.0254
8 R A -4.0461
9 R A -4.1502
10 R A -4.6253
11 R A -4.7788
12 R A -3.9909
13 R A -3.0780
14 P A -1.1464
15 M A 0.0932
16 S A -0.1274
17 P A -0.3831
18 P A -0.5316
19 P A -0.6573
20 P A -0.6667
21 P A -0.4391
22 P A -0.3383
23 P A -0.0718
24 V A 0.8589
25 R A -0.6779
26 A A 0.4950
27 L A 1.7877
28 P A 1.6695
29 L A 3.2117
30 L A 3.8362
31 L A 3.8553
32 L A 3.6668
33 L A 2.7904
34 A A 1.1181
35 G A -0.0388
36 P A -0.4501
37 G A -0.6600
38 A A -0.2768
39 A A -0.4371
40 A A -0.8819
41 P A -0.3049
42 P A -0.9112
43 C A -0.6177
44 L A 0.3960
45 D A -1.3007
46 G A -0.9458
47 S A -1.0918
48 P A -1.0188
49 C A -1.4205
50 A A -1.4286
51 N A -1.7060
52 G A -1.2958
53 G A 0.0000
54 R A -1.7078
55 C A 0.0000
56 T A -0.9035
57 Q A -1.6761
58 L A -1.0707
59 P A -1.1885
60 S A -1.7102
61 R A -2.9661
62 E A -2.9011
63 A A -1.6529
64 A A -1.3336
65 C A -0.9095
66 L A 0.4667
67 C A -0.3447
68 P A -0.1706
69 P A -0.4192
70 G A -0.9718
71 W A -0.8289
72 V A -0.8624
73 G A -1.0634
74 E A -2.1494
75 R A -2.2841
76 C A 0.0000
77 Q A -1.8401
78 L A -1.5712
79 E A -2.2742
80 D A -1.6582
81 P A -1.4402
82 C A -1.0967
83 H A -1.6367
84 S A -1.1428
85 G A -0.8820
86 P A -0.4056
87 C A -0.8224
88 A A -0.5063
89 G A -0.9760
90 R A -1.6830
91 G A -1.1811
92 V A 0.1681
93 C A -0.5240
94 Q A -1.2451
95 S A -0.7508
96 S A -0.2277
97 V A 0.5966
98 V A 1.5208
99 A A 0.6022
100 G A -0.2405
101 T A -0.1921
102 A A 0.0000
103 R A -1.4792
104 F A -0.8099
105 S A -1.0129
106 C A -1.0846
107 R A -1.8445
108 C A -1.1126
109 P A -1.2633
110 R A -1.6375
111 G A 0.0000
112 F A -0.0013
113 R A -0.5394
114 G A -0.4932
115 P A -0.7132
116 D A -0.7223
117 C A 0.0000
118 S A 0.0034
119 L A 0.5309
120 P A 0.2773
121 D A 0.0792
122 P A 0.2708
123 C A 0.4920
124 L A 0.9731
125 S A 0.3592
126 S A -0.0750
127 P A -0.3472
128 C A -1.1641
129 A A -1.6596
130 H A -1.7390
131 G A -1.3122
132 A A -1.5588
133 R A -1.8653
134 C A -0.2591
135 S A -0.0670
136 V A 0.1768
137 G A -0.5628
138 P A -1.1769
139 D A -2.2079
140 G A -1.4147
141 R A -1.7527
142 F A -0.4297
143 L A 0.1052
144 C A -0.7173
145 S A -0.9145
146 C A -1.2891
147 P A -0.8085
148 P A -0.5118
149 G A -0.8629
150 Y A -1.8418
151 Q A -2.4290
152 G A -2.4688
153 R A -2.3648
154 S A 0.0000
155 C A 0.0000
156 R A -2.9448
157 S A -2.3174
158 D A -1.9979
159 V A -1.2359
160 D A -1.1629
161 E A -1.4801
162 C A -1.4468
163 R A -1.6927
164 V A 0.1288
165 G A -0.9959
166 E A -2.3713
167 P A -1.6785
168 C A 0.0000
169 R A -2.9890
170 H A -2.1059
171 G A -1.7094
172 G A -1.7460
173 T A -1.2948
174 C A -1.4773
175 L A -0.7721
176 N A -1.1883
177 T A -0.8190
178 P A -0.9816
179 G A -1.1149
180 S A -0.8506
181 F A -0.9790
182 R A -1.8902
183 C A -1.6391
184 Q A -1.5571
185 C A -1.2575
186 P A -0.6501
187 A A 0.0116
188 G A 0.0895
189 Y A -0.3931
190 T A -0.6494
191 G A -0.8702
192 P A -1.0418
193 L A -1.2991
194 C A 0.0000
195 E A -1.7020
196 N A -1.5078
197 P A -0.4455
198 A A 0.4222
199 V A 1.2106
200 P A 0.0453
201 C A -0.2049
202 A A 0.3214
203 P A 0.0573
204 S A -0.6752
205 P A -1.0314
206 C A -2.0795
207 R A -2.7878
208 N A -1.8899
209 G A -1.3026
210 G A -1.5118
211 T A -1.1995
212 C A -1.8491
213 R A -2.9445
214 Q A -2.4206
215 S A -1.8224
216 G A -1.3209
217 D A -1.2503
218 L A 0.4498
219 T A -0.6594
220 Y A -1.6640
221 D A -2.8525
222 C A 0.0000
223 A A -0.9310
224 C A -0.7943
225 L A 0.1288
226 P A 0.0043
227 G A -0.4512
228 F A -0.9043
229 E A -1.9045
230 G A -1.8374
231 Q A -2.2627
232 N A -2.1268
233 C A 0.0000
234 E A -1.8179
235 V A -0.5712
236 N A -0.5510
237 V A -0.6919
238 D A -1.6959
239 D A -1.9125
240 C A -1.5730
241 P A -1.3983
242 G A -1.3702
243 H A -1.6821
244 R A -2.0349
245 C A 0.0000
246 L A 0.0616
247 N A -0.6943
248 G A -0.6147
249 G A -0.8281
250 T A -0.6675
251 C A -0.9128
252 V A -0.5075
253 D A -1.0865
254 G A -0.3338
255 V A 0.6592
256 N A -0.8119
257 T A -0.7985
258 Y A -1.4403
259 N A -1.8845
260 C A -1.3499
261 Q A -1.4093
262 C A -1.0983
263 P A -0.6500
264 P A -0.7641
265 E A -1.3146
266 W A -1.2370
267 T A -1.3734
268 G A -1.5041
269 Q A -1.8590
270 F A -1.3612
271 C A 0.0000
272 T A -1.2110
273 E A -2.1414
274 D A -1.5816
275 V A -1.1891
276 D A -1.4242
277 E A -1.3266
278 C A -0.9303
279 Q A -1.2268
280 L A -0.1342
281 Q A -1.5242
282 P A -1.5005
283 N A -2.1646
284 A A -1.3636
285 C A 0.0000
286 H A -2.0717
287 N A -1.5085
288 G A -0.7980
289 G A 0.0172
290 T A 0.7862
291 C A 0.3731
292 F A 1.4823
293 N A -0.1115
294 T A 0.2948
295 L A 0.6386
296 G A -0.5384
297 G A -0.3552
298 H A -0.4570
299 S A 0.1408
300 C A 0.7269
301 V A 2.0766
302 C A 0.6953
303 V A 1.2598
304 N A -0.2264
305 G A -0.3880
306 W A -0.3369
307 T A -0.8066
308 G A -1.3019
309 E A -2.0341
310 S A -1.5441
311 C A 0.0000
312 S A -1.6645
313 Q A -1.9792
314 N A -1.3457
315 I A -0.8624
316 D A -1.9955
317 D A -0.9617
318 C A -0.4394
319 A A -0.2800
320 T A -0.0009
321 A A 0.7830
322 V A 1.9035
323 C A 1.5742
324 F A 0.9315
325 H A -0.6590
326 G A -0.4835
327 A A 0.1968
328 T A 0.2337
329 C A 0.4715
330 H A -0.7462
331 D A -1.2707
332 R A -1.4029
333 V A 0.1636
334 A A -0.3796
335 S A -0.4139
336 F A 0.3342
337 Y A 1.2383
338 C A 0.0000
339 A A 0.6194
340 C A 0.5379
341 P A 0.1465
342 M A 0.7949
343 G A -0.0502
344 K A -1.0180
345 T A -0.4632
346 G A 0.6607
347 L A 2.3273
348 L A 1.7343
349 C A 0.0000
350 H A -0.0034
351 L A -1.0605
352 D A -2.2521
353 D A -1.4623
354 A A -1.2762
355 C A -0.4810
356 V A 0.5851
357 S A -0.1274
358 N A -0.9979
359 P A -0.8943
360 C A -1.2922
361 H A -2.1554
362 E A -3.0106
363 D A -2.5988
364 A A -1.0110
365 I A 0.7940
366 C A -0.0432
367 D A -1.1777
368 T A 0.0000
369 N A -0.8826
370 P A -0.0799
371 V A 0.9059
372 N A -1.2807
373 G A -1.9064
374 R A -2.4369
375 A A 0.0000
376 I A -0.3602
377 C A -0.4435
378 T A 0.3166
379 C A -0.2962
380 P A 0.0000
381 P A -0.4241
382 G A -0.9201
383 F A -1.4233
384 T A -1.3692
385 G A -1.7576
386 G A -1.4120
387 A A -1.2788
388 C A 0.0000
389 D A -3.0681
390 Q A -2.5501
391 D A -1.9560
392 V A -0.9040
393 D A -1.0316
394 E A -0.2554
395 C A -0.1221
396 S A 0.1275
397 I A 1.2287
398 G A 0.1471
399 A A -0.3383
400 N A -1.4280
401 P A -0.9165
402 C A 0.0000
403 E A -2.2952
404 H A -1.6294
405 L A -0.1041
406 G A 0.0000
407 R A -2.0400
408 C A 0.0000
409 V A 0.1829
410 N A -0.4178
411 T A -0.4314
412 Q A -1.6896
413 G A -1.2830
414 S A -0.2668
415 F A 0.2633
416 L A 0.8641
417 C A -0.8145
418 Q A -1.4832
419 C A -1.6049
420 G A -1.4341
421 R A -2.0873
422 G A 0.0000
423 Y A -1.2598
424 T A -1.4142
425 G A -1.2750
426 P A -0.9938
427 R A -2.1852
428 C A 0.0000
429 E A -2.2152
430 T A -1.5185
431 D A -1.8059
432 V A -0.8635
433 N A -1.0186
434 E A -0.9200
435 C A -0.2780
436 L A 0.9431
437 S A 0.1651
438 G A -0.4146
439 P A -0.2779
440 C A -0.6813
441 R A -2.0589
442 N A -1.8152
443 Q A -1.6853
444 A A -0.3965
445 T A 0.1563
446 C A 0.1786
447 L A -0.4311
448 D A -2.0298
449 R A -2.3921
450 I A -1.0216
451 G A 0.0000
452 Q A -1.9106
453 F A -0.8801
454 T A 0.0035
455 C A 0.8070
456 I A 1.9357
457 C A 0.8850
458 M A 0.1988
459 A A 0.2437
460 G A 0.0000
461 F A 0.0000
462 T A -0.0169
463 G A 0.0542
464 T A 0.3916
465 Y A 0.4619
466 C A 0.0000
467 E A -0.8115
468 V A -0.2097
469 D A -1.7615
470 I A -1.2751
471 D A -2.5275
472 E A -2.2286
473 C A -1.7641
474 Q A -1.9332
475 S A -1.1216
476 S A -0.2194
477 P A 0.0642
478 C A 0.6223
479 V A 1.0456
480 N A 0.0705
481 C A 1.0748
482 G A 0.9988
483 V A 1.5388
484 C A -0.2724
485 K A -2.1561
486 D A -3.3582
487 R A -2.7381
488 V A -0.5973
489 N A -1.4090
490 G A -1.2471
491 F A -1.2751
492 S A -0.6966
493 C A 0.3347
494 T A 0.5252
495 C A 0.6686
496 P A -0.0422
497 S A -1.0236
498 G A -1.9771
499 F A -0.8721
500 S A -0.5129
501 G A -0.4111
502 S A -0.1666
503 T A 0.2646
504 C A 0.0000
505 Q A -0.7378
506 L A -0.1761
507 D A -2.3875
508 V A -1.8506
509 D A -2.9276
510 E A -2.7560
511 C A -1.7351
512 A A -0.9937
513 S A -0.6946
514 T A -0.8875
515 P A -0.7681
516 C A 0.0000
517 R A -3.0700
518 N A -3.0248
519 G A -2.2943
520 A A -2.8379
521 K A -2.9008
522 C A -2.2712
523 V A -1.9860
524 D A -3.4753
525 Q A -3.1357
526 P A -2.6376
527 D A -2.9753
528 G A -2.3005
529 Y A -2.2352
530 E A -2.4680
531 C A -2.3533
532 R A -3.0596
533 C A -2.9248
534 A A -1.9781
535 E A -1.9025
536 G A -1.1453
537 F A -2.4674
538 E A -3.2850
539 G A -2.0443
540 T A -1.5014
541 L A -1.9716
542 C A 0.0000
543 D A -3.6599
544 R A -3.5848
545 N A -2.4334
546 V A -1.7261
547 D A -2.2896
548 D A -1.4996
549 C A -1.6857
550 S A -1.6800
551 P A -1.6091
552 D A -2.7074
553 P A -2.0240
554 C A 0.0000
555 H A -2.6577
556 H A -2.1128
557 G A -1.8976
558 R A -2.1433
559 C A 0.0000
560 V A 0.3317
561 D A -0.6510
562 G A 0.4186
563 I A 0.9587
564 A A -0.0519
565 S A 0.1144
566 F A -0.0489
567 S A -0.1767
568 C A -1.0725
569 A A -0.4075
570 C A -1.1828
571 A A -0.9023
572 P A -0.7439
573 G A -1.1063
574 Y A -1.3113
575 T A -1.1589
576 G A -1.4005
577 T A -1.1264
578 R A -2.5334
579 C A 0.0000
580 E A -2.8528
581 S A -1.9763
582 Q A -1.7730
583 V A -1.8788
584 D A -2.8120
585 E A -2.7015
586 C A 0.0000
587 R A -3.1294
588 S A -2.0477
589 Q A -2.8833
590 P A -1.5579
591 C A -1.7949
592 R A -2.7838
593 H A -1.7622
594 G A -2.1265
595 G A -2.2557
596 K A -2.7662
597 C A 0.0000
598 L A -0.9295
599 D A -2.0015
600 L A -0.3000
601 V A -0.0790
602 D A -2.2258
603 K A -1.9407
604 Y A -0.6248
605 L A 0.5613
606 C A -0.9256
607 R A -2.0418
608 C A -1.2831
609 P A -1.2898
610 S A -0.5591
611 G A -0.8673
612 T A 0.0000
613 T A 0.0573
614 G A 0.3839
615 V A 1.4197
616 N A -0.4779
617 C A 0.0000
618 E A -0.6972
619 V A 0.4864
620 N A -0.8912
621 I A -0.5139
622 D A -2.3511
623 D A -3.0016
624 C A 0.0000
625 A A -1.1476
626 S A -1.2453
627 N A -1.2008
628 P A -0.5833
629 C A -0.2046
630 T A 0.2062
631 F A 0.7563
632 G A 0.3438
633 V A 0.6846
634 C A -0.8953
635 R A -2.5886
636 D A -2.6301
637 G A -2.1168
638 I A -0.9227
639 N A -2.2547
640 R A -3.2117
641 Y A -2.7542
642 D A -2.3454
643 C A 0.0000
644 V A 0.4673
645 C A 0.1019
646 Q A -0.8510
647 P A -1.2696
648 G A 0.0000
649 F A -0.7712
650 T A 0.0688
651 G A 0.0900
652 P A -0.2728
653 L A 0.3601
654 C A 0.0000
655 N A -0.6282
656 V A 0.0823
657 E A -1.7482
658 I A -1.0770
659 N A -1.8376
660 E A -1.7078
661 C A -0.7982
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1995 F A 0.3262
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1998 R A -1.6146
1999 E A -2.2723
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2245 L A 1.8772
2246 T A 0.8693
2247 P A -0.1547
2248 S A -0.8734
2249 P A -1.4010
2250 E A -2.4433
2251 S A -1.9545
2252 P A -1.7960
2253 E A -2.3872
2254 H A -1.3955
2255 W A 0.1146
2256 A A -0.0200
2257 S A -0.1947
2258 P A -0.4126
2259 S A -0.5864
2260 P A -0.4537
2261 P A -0.2051
2262 S A 0.0823
2263 L A 0.9117
2264 S A -0.1404
2265 D A -1.1662
2266 W A -0.1573
2267 S A -1.0158
2268 E A -1.9361
2269 S A -1.2125
2270 T A -0.7633
2271 P A -0.5001
2272 S A -0.4915
2273 P A -0.4144
2274 A A -0.1295
2275 T A -0.1391
2276 A A -0.1020
2277 T A -0.3095
2278 G A -0.2613
2279 A A 0.3953
2280 M A 1.0049
2281 A A 0.5332
2282 T A 0.1245
2283 T A -0.2323
2284 T A -0.3721
2285 G A -0.1810
2286 A A 0.5409
2287 L A 1.3740
2288 P A 0.2715
2289 A A -0.3277
2290 Q A -0.9803
2291 P A 0.0290
2292 L A 1.3821
2293 P A 1.3173
2294 L A 2.0877
2295 S A 1.4436
2296 V A 1.8423
2297 P A 0.5576
2298 S A 0.3370
2299 S A 0.4000
2300 L A 1.1479
2301 A A 0.1819
2302 Q A -1.0402
2303 A A -1.0474
2304 Q A -1.5634
2305 T A -0.9142
2306 Q A -0.8333
2307 L A 0.4124
2308 G A -0.4170
2309 P A -0.8383
2310 Q A -1.5940
2311 P A -1.4339
2312 E A -1.3496
2313 V A 0.3581
2314 T A -0.1875
2315 P A -1.2243
2316 K A -2.8578
2317 R A -3.0025
2318 Q A -1.1833
2319 V A 1.5336
2320 L A 2.2006
2321 A A 1.0904
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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 -0.0609 7.1219 View CSV PDB
4.5 -0.1455 7.1219 View CSV PDB
5.0 -0.2481 7.1219 View CSV PDB
5.5 -0.3543 7.1219 View CSV PDB
6.0 -0.4515 7.1219 View CSV PDB
6.5 -0.5319 7.1219 View CSV PDB
7.0 -0.5952 7.1219 View CSV PDB
7.5 -0.6468 7.1219 View CSV PDB
8.0 -0.6902 7.1219 View CSV PDB
8.5 -0.7238 7.1219 View CSV PDB
9.0 -0.7442 7.1219 View CSV PDB