Project name: G1058C

Status: done

Started: 2026-05-09 14:42:07
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQACGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:35)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:36:53)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/16e2cc527549a0b/tmp/folded.pdb                (00:36:53)
[INFO]       Main:     Simulation completed successfully.                                          (01:11:29)
Show buried residues

Minimal score value
-4.8117
Maximal score value
5.717
Average score
-0.7536
Total score value
-1749.0367

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 0.7147
2 G A -0.1713
3 P A -0.6427
4 G A -1.0631
5 A A -1.2879
6 R A -2.5998
7 G A -3.0183
8 R A -4.0318
9 R A -4.1428
10 R A -4.6495
11 R A -4.8117
12 R A -4.2130
13 R A -3.0279
14 P A -1.1022
15 M A 0.2969
16 S A -0.0709
17 P A -0.3444
18 P A -0.6202
19 P A -0.6467
20 P A -0.6485
21 P A -0.4363
22 P A -0.3111
23 P A -0.0743
24 V A 0.8486
25 R A -0.6825
26 A A 0.5287
27 L A 1.8278
28 P A 1.6932
29 L A 3.2989
30 L A 3.8444
31 L A 3.9716
32 L A 3.6623
33 L A 2.8486
34 A A 1.1298
35 G A 0.0032
36 P A -0.4618
37 G A -0.6473
38 A A -0.2908
39 A A -0.0876
40 A A -0.2833
41 P A -0.7956
42 P A -0.9286
43 C A -0.8267
44 L A 0.1593
45 D A -1.3135
46 G A -0.8494
47 S A -0.6867
48 P A -0.8842
49 C A -1.1294
50 A A -1.2686
51 N A -1.6621
52 G A -1.2182
53 G A -1.0923
54 R A -1.4800
55 C A -0.1708
56 T A -0.8197
57 Q A -1.8236
58 L A -1.1867
59 P A -1.3620
60 S A -1.8328
61 R A -3.0861
62 E A -2.8088
63 A A 0.0000
64 A A -0.9405
65 C A 0.0000
66 L A 0.6827
67 C A -0.0238
68 P A -0.2004
69 P A -0.4296
70 G A -0.9787
71 W A -0.9458
72 V A -0.7644
73 G A -0.8787
74 E A -1.8612
75 R A -1.6702
76 C A 0.0000
77 Q A -1.6157
78 L A -1.4490
79 E A -2.2770
80 D A -1.5906
81 P A -1.3647
82 C A -0.9464
83 H A -1.5482
84 S A -1.1399
85 G A -0.8788
86 P A -0.4772
87 C A -0.8627
88 A A -0.6562
89 G A -1.2151
90 R A -1.9224
91 G A -1.1321
92 V A 0.4626
93 C A -0.2100
94 Q A -0.5674
95 S A -0.4643
96 S A -0.0785
97 V A 0.6010
98 V A 1.5519
99 A A 0.6228
100 G A -0.2224
101 T A -0.1346
102 A A 0.0000
103 R A -1.2862
104 F A -0.6798
105 S A -0.8626
106 C A -0.9695
107 R A -1.7134
108 C A -1.1431
109 P A -1.2784
110 R A -1.8686
111 G A 0.0000
112 F A -0.1175
113 R A -0.5306
114 G A -0.5686
115 P A -0.8393
116 D A -0.9819
117 C A 0.0000
118 S A -0.1326
119 L A 0.5208
120 P A 0.2525
121 D A 0.0292
122 P A 0.2329
123 C A 0.4683
124 L A 0.9471
125 S A 0.3604
126 S A -0.0584
127 P A -0.3048
128 C A -1.1074
129 A A -1.6086
130 H A -1.6750
131 G A -1.2710
132 A A -1.5613
133 R A -1.8362
134 C A -0.1802
135 S A -0.0829
136 V A 0.1306
137 G A 0.0000
138 P A -1.1839
139 D A -2.2360
140 G A -1.4720
141 R A -1.9052
142 F A -0.4120
143 L A 0.1038
144 C A -0.6843
145 S A -0.9115
146 C A -1.3072
147 P A -0.8285
148 P A -0.5149
149 G A -0.8792
150 Y A -1.8069
151 Q A -2.3838
152 G A -2.3421
153 R A -2.1052
154 S A -1.7702
155 C A 0.0000
156 R A -2.8914
157 S A -2.2669
158 D A -1.9476
159 V A -1.1752
160 D A -1.1464
161 E A -1.4033
162 C A -1.4145
163 R A -1.6867
164 V A 0.1297
165 G A -1.0203
166 E A -2.3870
167 P A -1.7737
168 C A 0.0000
169 R A -3.0109
170 H A -2.1189
171 G A -1.7191
172 G A -1.7403
173 T A -1.2726
174 C A -1.4312
175 L A -0.6497
176 N A -1.1331
177 T A -0.7787
178 P A -0.9580
179 G A -1.0865
180 S A -0.8106
181 F A -0.9211
182 R A -1.8451
183 C A -1.6267
184 Q A -1.5408
185 C A -1.2730
186 P A -0.6451
187 A A 0.0281
188 G A 0.1303
189 Y A -0.3828
190 T A -0.6602
191 G A -0.9226
192 P A -1.0853
193 L A -1.3667
194 C A 0.0000
195 E A -1.7308
196 N A -1.5306
197 P A -0.3184
198 A A 0.4585
199 V A 1.2772
200 P A 0.0708
201 C A -0.1877
202 A A 0.3655
203 P A 0.0670
204 S A -0.6579
205 P A -1.0637
206 C A -2.1312
207 R A -2.8592
208 N A -2.0617
209 G A -1.3285
210 G A -1.5643
211 T A -1.2050
212 C A -1.8438
213 R A -2.9422
214 Q A -2.4155
215 S A -1.8307
216 G A -1.3252
217 D A -1.2464
218 L A 0.4259
219 T A -0.6554
220 Y A -1.6583
221 D A -2.8570
222 C A 0.0000
223 A A -0.9563
224 C A -0.8928
225 L A 0.0086
226 P A -0.1077
227 G A -0.6678
228 F A -1.3289
229 E A -2.4190
230 G A -2.1046
231 Q A -2.3757
232 N A -2.3075
233 C A 0.0000
234 E A -2.4455
235 V A -1.2567
236 N A -1.3803
237 V A -1.0779
238 D A -2.0072
239 D A -1.9138
240 C A -1.4963
241 P A -1.3665
242 G A -1.3647
243 H A -1.6540
244 R A -2.1281
245 C A 0.0000
246 L A 0.0137
247 N A -0.8800
248 G A -0.6190
249 G A -0.8388
250 T A -0.6471
251 C A -0.8544
252 V A -0.3936
253 D A -0.9871
254 G A -0.3640
255 V A 0.5286
256 N A -0.8967
257 T A -0.7491
258 Y A -1.3614
259 N A -1.8194
260 C A -1.3534
261 Q A -1.4235
262 C A -1.1133
263 P A -0.7836
264 P A -0.7535
265 E A -1.3193
266 W A -1.2532
267 T A -1.4515
268 G A -1.5499
269 Q A -1.9514
270 F A -1.4429
271 C A 0.0000
272 T A -1.2807
273 E A -2.1733
274 D A -1.5509
275 V A 0.0000
276 D A -1.4795
277 E A -1.4222
278 C A -1.1426
279 Q A -1.3248
280 L A -0.1428
281 Q A -1.5263
282 P A -1.4980
283 N A -2.1335
284 A A -1.4590
285 C A 0.0000
286 H A -2.0696
287 N A -1.7279
288 G A -1.3363
289 G A -0.6498
290 T A -0.0104
291 C A -0.2810
292 F A 0.3815
293 N A -0.6530
294 T A 0.0650
295 L A 0.6607
296 G A -0.5047
297 G A -0.4495
298 H A -0.7335
299 S A -0.3857
300 C A -0.0352
301 V A 0.5024
302 C A -0.2293
303 V A -0.2547
304 N A -0.9275
305 G A 0.0000
306 W A -0.8598
307 T A -1.0744
308 G A -1.4270
309 E A -2.1669
310 S A -1.6341
311 C A 0.0000
312 S A -1.6204
313 Q A -1.8846
314 N A -1.4870
315 I A -0.9378
316 D A -2.0737
317 D A -1.0117
318 C A -0.3513
319 A A -0.2372
320 T A 0.0418
321 A A 0.9055
322 V A 2.0323
323 C A 1.7424
324 F A 1.0695
325 H A -0.5925
326 G A -0.4382
327 A A 0.2649
328 T A 0.2937
329 C A 0.5690
330 H A -0.6926
331 D A -1.3870
332 R A -1.7688
333 V A -0.9482
334 A A -0.8187
335 S A -0.6029
336 F A 0.2919
337 Y A 1.2483
338 C A 0.0000
339 A A 0.6619
340 C A 0.5671
341 P A 0.1542
342 M A 0.8193
343 G A 0.0180
344 K A -0.9601
345 T A -0.4155
346 G A 0.7890
347 L A 2.3869
348 L A 2.0220
349 C A 0.0000
350 H A 0.0187
351 L A -0.9313
352 D A -2.1310
353 D A -1.3344
354 A A -1.2182
355 C A -0.3682
356 V A 0.8666
357 S A -0.0041
358 N A -1.0862
359 P A -1.1099
360 C A -1.3651
361 H A -2.2047
362 E A -2.9056
363 D A -2.2364
364 A A -0.9599
365 I A 0.8922
366 C A -0.0887
367 D A -1.1672
368 T A 0.0000
369 N A 0.0000
370 P A 0.0777
371 V A 0.9936
372 N A -0.5483
373 G A -1.5573
374 R A -2.3155
375 A A -1.2680
376 I A 0.0000
377 C A 0.0000
378 T A 0.3229
379 C A -0.3442
380 P A 0.0000
381 P A -0.4305
382 G A -0.7651
383 F A -1.3502
384 T A -1.1475
385 G A -1.2658
386 G A -0.9649
387 A A -1.3688
388 C A 0.0000
389 D A -2.6829
390 Q A -2.4821
391 D A -1.9697
392 V A -1.0001
393 D A -1.0846
394 E A -0.2850
395 C A -0.1340
396 S A 0.1159
397 I A 1.2039
398 G A 0.1884
399 A A -0.4597
400 N A -1.2841
401 P A -0.6689
402 C A 0.0000
403 E A -1.4371
404 H A -0.9924
405 L A 0.1611
406 G A 0.0000
407 R A -1.9431
408 C A 0.0000
409 V A 0.2415
410 N A -0.3936
411 T A -0.4430
412 Q A -1.5383
413 G A -1.2886
414 S A -0.3095
415 F A 0.5243
416 L A 0.8473
417 C A -0.4368
418 Q A -1.3340
419 C A -1.2484
420 G A -1.3096
421 R A -1.9544
422 G A 0.0000
423 Y A -0.7254
424 T A -1.0299
425 G A -0.5665
426 P A -0.4188
427 R A -0.8425
428 C A 0.0000
429 E A -0.9786
430 T A -0.9576
431 D A -1.2934
432 V A -0.6371
433 N A -0.7346
434 E A -0.5696
435 C A -0.0619
436 L A 0.9842
437 S A 0.1616
438 G A -0.4252
439 P A -0.3149
440 C A -1.0446
441 R A -2.3427
442 N A -1.9509
443 Q A -1.8709
444 A A -0.8797
445 T A -0.4451
446 C A -0.1266
447 L A -0.4688
448 D A -0.9752
449 R A -1.1702
450 I A 0.0383
451 G A 0.0000
452 Q A -1.3567
453 F A -0.4705
454 T A -0.0967
455 C A 0.1317
456 I A 0.1331
457 C A 0.2383
458 M A 0.0125
459 A A 0.1811
460 G A -0.8474
461 F A -0.4145
462 T A -0.2130
463 G A -0.1649
464 T A 0.1000
465 Y A 0.0372
466 C A 0.0000
467 E A -1.0652
468 V A -0.3361
469 D A -1.8967
470 I A -1.5169
471 D A -3.1989
472 E A -3.0680
473 C A -2.2316
474 Q A -2.2546
475 S A -1.3475
476 S A -0.6729
477 P A -0.0797
478 C A 0.2677
479 V A 0.5072
480 N A -0.7471
481 G A -0.2659
482 G A 0.3438
483 V A 1.2041
484 C A -0.5990
485 K A -2.3580
486 D A -3.6813
487 R A -2.9334
488 V A -0.6652
489 N A -1.5219
490 G A -1.5160
491 F A -1.6434
492 S A -0.8503
493 C A 0.1492
494 T A 0.3481
495 C A 0.3645
496 P A -0.3657
497 S A -1.1122
498 G A -2.0588
499 F A -1.1553
500 S A -0.6242
501 G A -0.5154
502 S A -0.2299
503 T A 0.0464
504 C A 0.0000
505 Q A -0.9892
506 L A -0.3334
507 D A -2.5139
508 V A -1.9749
509 D A -2.9741
510 E A -2.7988
511 C A -1.8031
512 A A -1.0224
513 S A -0.7089
514 T A -1.0062
515 P A -1.2202
516 C A 0.0000
517 R A -3.5389
518 N A -3.0695
519 G A -2.4637
520 A A -3.0251
521 K A -3.0800
522 C A 0.0000
523 V A -2.1232
524 D A -3.5641
525 Q A -3.1892
526 P A -2.6684
527 D A -2.9739
528 G A -2.3290
529 Y A -2.3450
530 E A -2.6786
531 C A -2.5683
532 R A -3.1830
533 C A -3.0356
534 A A -1.9997
535 E A -1.8632
536 G A -1.1101
537 F A -2.3686
538 E A -3.1135
539 G A -2.1048
540 T A -1.6707
541 L A -2.1064
542 C A 0.0000
543 D A -3.7298
544 R A -3.4782
545 N A -2.1298
546 V A -1.4735
547 D A -2.0278
548 D A -1.4085
549 C A -1.7019
550 S A -1.6040
551 P A -1.5727
552 D A -2.7280
553 P A -2.0346
554 C A 0.0000
555 H A -2.6823
556 H A -2.1427
557 G A -1.9430
558 R A -2.2298
559 C A -1.4500
560 V A -0.0913
561 D A -0.7891
562 G A 0.3881
563 I A 0.9375
564 A A 0.0248
565 S A 0.0923
566 F A -0.1465
567 S A -0.3581
568 C A -1.1958
569 A A -0.5113
570 C A -1.2123
571 A A -0.9271
572 P A -0.7279
573 G A 0.0000
574 Y A -1.2655
575 T A -1.2574
576 G A -1.4589
577 T A -1.1382
578 R A -2.5553
579 C A 0.0000
580 E A -2.9473
581 S A -2.0237
582 Q A -1.7714
583 V A -1.5964
584 D A -2.4686
585 E A -2.2558
586 C A 0.0000
587 R A -2.9669
588 S A -1.9280
589 Q A -2.8167
590 P A -1.4852
591 C A -1.7822
592 R A -2.7468
593 H A -1.6247
594 G A -2.1206
595 G A -2.2436
596 K A -2.7988
597 C A 0.0000
598 L A -1.0158
599 D A -2.0644
600 L A -0.2220
601 V A 0.0309
602 D A -2.0743
603 K A -1.8020
604 Y A -0.5379
605 L A 0.4394
606 C A -0.9988
607 R A -2.0599
608 C A -1.2840
609 P A -1.2258
610 S A -0.5368
611 G A -0.7504
612 T A 0.0000
613 T A 0.0626
614 G A 0.4052
615 V A 1.4329
616 N A -0.4395
617 C A 0.0000
618 E A -0.6250
619 V A 0.5826
620 N A -0.7595
621 I A -0.4669
622 D A -2.3259
623 D A -2.9176
624 C A 0.0000
625 A A -1.1813
626 S A -1.2521
627 N A -1.2641
628 P A -0.6184
629 C A -0.1519
630 T A 0.1657
631 F A 0.7615
632 G A 0.4352
633 V A 0.6850
634 C A 0.0000
635 R A -2.4439
636 D A -2.6219
637 G A -1.8350
638 I A -0.4023
639 N A -2.0183
640 R A -3.0007
641 Y A -2.5296
642 D A -1.9531
643 C A -0.2395
644 V A 1.1700
645 C A 0.3909
646 Q A -0.8249
647 P A -1.2184
648 G A 0.0000
649 F A -0.7120
650 T A 0.1876
651 G A 0.2224
652 P A -0.0844
653 L A 0.4758
654 C A 0.0000
655 N A -0.4824
656 V A 0.1937
657 E A -1.7973
658 I A -1.1637
659 N A -1.8988
660 E A -1.7573
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2244 Y A 1.3404
2245 L A 1.8178
2246 T A 0.8703
2247 P A -0.0893
2248 S A -0.8309
2249 P A -1.4426
2250 E A -2.5555
2251 S A -2.0207
2252 P A -1.8666
2253 E A -2.4849
2254 H A -1.4098
2255 W A 0.3386
2256 A A 0.0156
2257 S A 0.0496
2258 P A -1.0788
2259 S A -1.0861
2260 P A -1.1265
2261 P A -0.4353
2262 S A 0.0231
2263 L A 0.9910
2264 S A 0.0760
2265 D A -0.6168
2266 W A 0.0905
2267 S A -0.9050
2268 E A -1.8898
2269 S A -1.0843
2270 T A -0.9700
2271 P A -0.7357
2272 S A -0.4982
2273 P A -0.4187
2274 A A -0.1799
2275 T A -0.1940
2276 A A -0.1543
2277 T A -0.1450
2278 G A -0.2229
2279 A A 0.3332
2280 M A 0.9709
2281 A A 0.4762
2282 T A 0.1488
2283 T A -0.1241
2284 T A -0.1625
2285 G A -0.1981
2286 A A 0.5323
2287 L A 1.2290
2288 P A 0.1621
2289 A A -0.0797
2290 Q A -0.7868
2291 P A 0.0214
2292 L A 1.3925
2293 P A 1.1912
2294 L A 2.1650
2295 S A 1.4508
2296 V A 1.8491
2297 P A 0.5702
2298 S A 0.3447
2299 S A 0.5711
2300 L A 1.1599
2301 A A 0.2276
2302 Q A -1.0772
2303 A A -1.2209
2304 Q A -1.5857
2305 T A -0.8913
2306 Q A -0.8784
2307 L A 0.4038
2308 G A -0.4679
2309 P A -0.9633
2310 Q A -1.5559
2311 P A -1.4569
2312 E A -1.3393
2313 V A 0.3642
2314 T A -0.4286
2315 P A -1.3570
2316 K A -2.9225
2317 R A -3.0552
2318 Q A -1.2822
2319 V A 1.5886
2320 L A 2.2214
2321 A A 1.0932
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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 -0.0666 7.1304 View CSV PDB
4.5 -0.1508 7.1304 View CSV PDB
5.0 -0.2523 7.1304 View CSV PDB
5.5 -0.3569 7.1304 View CSV PDB
6.0 -0.4526 7.1304 View CSV PDB
6.5 -0.5322 7.1304 View CSV PDB
7.0 -0.5952 7.1304 View CSV PDB
7.5 -0.6468 7.1304 View CSV PDB
8.0 -0.6903 7.1304 View CSV PDB
8.5 -0.7239 7.1304 View CSV PDB
9.0 -0.7439 7.1304 View CSV PDB