Project name: C1015G

Status: done

Started: 2026-05-14 00:41:18
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRGVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:25)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:48)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/9e54032541a58e2/tmp/folded.pdb                (00:31:48)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:34)
Show buried residues

Minimal score value
-4.852
Maximal score value
5.9142
Average score
-0.7651
Total score value
-1775.8657

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 0.7164
2 G A -0.1871
3 P A -0.4402
4 G A -0.9902
5 A A -1.3018
6 R A -2.5465
7 G A -2.9827
8 R A -4.0799
9 R A -4.4198
10 R A -4.8520
11 R A -4.7974
12 R A -4.2066
13 R A -3.3486
14 P A -1.4061
15 M A -0.0188
16 S A -0.2427
17 P A -0.3375
18 P A -0.4970
19 P A -0.7012
20 P A -0.7002
21 P A -0.4043
22 P A -0.4029
23 P A -0.1001
24 V A 0.8710
25 R A -0.6472
26 A A 0.5533
27 L A 1.8286
28 P A 1.7068
29 L A 3.3359
30 L A 3.9316
31 L A 3.9498
32 L A 3.7352
33 L A 2.8328
34 A A 1.1687
35 G A 0.0029
36 P A -0.4182
37 G A -0.6637
38 A A -0.3073
39 A A -0.7163
40 A A -1.0716
41 P A -0.6546
42 P A -0.7554
43 C A -0.6014
44 L A 0.4284
45 D A -1.3176
46 G A -1.0053
47 S A -1.1025
48 P A 0.0000
49 C A 0.0000
50 A A -1.5078
51 N A -1.7527
52 G A -1.3411
53 G A 0.0000
54 R A -1.7369
55 C A 0.0000
56 T A -0.8405
57 Q A -1.6702
58 L A -1.0346
59 P A -1.1680
60 S A -1.6929
61 R A -2.9216
62 E A -2.8390
63 A A -1.6210
64 A A -1.2469
65 C A -0.9415
66 L A 0.5321
67 C A -0.2185
68 P A -0.1866
69 P A -0.4284
70 G A -0.9907
71 W A -0.8598
72 V A -0.9469
73 G A -1.0923
74 E A -2.2443
75 R A -2.5255
76 C A 0.0000
77 Q A -1.8335
78 L A -1.5353
79 E A -2.2779
80 D A -1.5735
81 P A -1.3568
82 C A -0.9734
83 H A -1.5017
84 S A -1.1454
85 G A -0.8607
86 P A -0.5849
87 C A -0.8070
88 A A -0.5618
89 G A -1.0959
90 R A -1.8708
91 G A -1.0622
92 V A 0.4326
93 C A -0.3034
94 Q A -0.8911
95 S A -0.5083
96 S A -0.0103
97 V A 0.7983
98 V A 1.5870
99 A A 0.6280
100 G A -0.1682
101 T A -0.0890
102 A A 0.0000
103 R A -1.3072
104 F A -0.5672
105 S A -0.8592
106 C A -0.9538
107 R A -1.7328
108 C A -1.0664
109 P A -1.2221
110 R A -1.8571
111 G A 0.0000
112 F A -0.0880
113 R A -0.5359
114 G A -0.5422
115 P A -0.7371
116 D A -0.7760
117 C A 0.0000
118 S A -0.0769
119 L A 0.5100
120 P A 0.2282
121 D A -0.0125
122 P A 0.1797
123 C A 0.4218
124 L A 0.8919
125 S A 0.3352
126 S A -0.0952
127 P A -0.3653
128 C A -1.1776
129 A A -1.5255
130 H A -1.7225
131 G A -1.2972
132 A A -1.4790
133 R A -1.8736
134 C A -0.4534
135 S A -0.1532
136 V A 0.1836
137 G A 0.0000
138 P A -0.9365
139 D A -1.6872
140 G A -1.2684
141 R A -1.7600
142 F A -0.4387
143 L A -0.0734
144 C A -0.8276
145 S A -0.9881
146 C A -1.3728
147 P A -0.8312
148 P A -0.5060
149 G A -0.8682
150 Y A -1.7670
151 Q A -2.4072
152 G A -2.4913
153 R A -2.4557
154 S A -1.7796
155 C A 0.0000
156 R A -2.9646
157 S A -2.3293
158 D A -1.9904
159 V A -1.1074
160 D A -1.0711
161 E A -1.4848
162 C A -1.4409
163 R A -1.7127
164 V A 0.1128
165 G A -1.0548
166 E A -2.3090
167 P A -1.6007
168 C A 0.0000
169 R A -2.8811
170 H A -2.0941
171 G A -1.7041
172 G A -1.7290
173 T A -1.2891
174 C A -1.4244
175 L A -0.8547
176 N A -1.1523
177 T A 0.0000
178 P A -0.9752
179 G A -1.0887
180 S A -0.7822
181 F A -0.8692
182 R A -1.8415
183 C A -1.6210
184 Q A -1.5302
185 C A -1.2421
186 P A -0.6404
187 A A 0.1314
188 G A 0.0534
189 Y A -0.3947
190 T A -0.6656
191 G A -0.9424
192 P A -1.0676
193 L A -1.3560
194 C A 0.0000
195 E A -1.7262
196 N A -1.5141
197 P A -0.4743
198 A A 0.3955
199 V A 1.2277
200 P A -0.0039
201 C A -0.1867
202 A A 0.3286
203 P A 0.0529
204 S A -0.6594
205 P A -1.1138
206 C A -2.0821
207 R A -2.9076
208 N A -1.9808
209 G A -1.2106
210 G A -1.5188
211 T A -1.1598
212 C A -1.7468
213 R A -2.8236
214 Q A -2.3607
215 S A -1.7632
216 G A -1.5258
217 D A -1.3533
218 L A 0.2734
219 T A -0.6576
220 Y A -1.4712
221 D A -2.5170
222 C A 0.0000
223 A A -0.8532
224 C A -0.8359
225 L A 0.0571
226 P A -0.0474
227 G A -0.4893
228 F A -1.1129
229 E A -2.2608
230 G A -1.8369
231 Q A -2.2781
232 N A -2.2164
233 C A 0.0000
234 E A -2.1906
235 V A -0.9721
236 N A -0.8195
237 V A -0.8908
238 D A -1.9635
239 D A -1.9545
240 C A -1.7291
241 P A -1.4184
242 G A -1.3815
243 H A -1.7266
244 R A -2.1775
245 C A 0.0000
246 L A -0.2090
247 N A -0.8170
248 G A -0.7167
249 G A -0.9137
250 T A -0.7100
251 C A -0.9531
252 V A -0.5294
253 D A -1.1040
254 G A -0.3510
255 V A 0.6230
256 N A -0.8404
257 T A -0.7954
258 Y A -1.4022
259 N A -1.8962
260 C A -1.4099
261 Q A -1.4315
262 C A -1.1723
263 P A -0.6922
264 P A -0.7545
265 E A -1.3901
266 W A -1.2732
267 T A -1.5593
268 G A -1.6116
269 Q A -1.9522
270 F A -1.4079
271 C A 0.0000
272 T A -1.2797
273 E A -2.1598
274 D A -1.4798
275 V A -1.2686
276 D A -1.6424
277 E A -1.1806
278 C A -0.6712
279 Q A -1.0610
280 L A 0.0916
281 Q A -0.9383
282 P A -0.6793
283 N A -0.8751
284 A A 0.0000
285 C A 0.0000
286 H A -1.4625
287 N A -1.0188
288 G A -0.3680
289 G A 0.0000
290 T A 0.6103
291 C A 0.4417
292 F A 1.3934
293 N A -0.1353
294 T A 0.3620
295 L A 0.5970
296 G A -0.5052
297 G A -0.3089
298 H A -0.3465
299 S A 0.0038
300 C A 0.2467
301 V A 1.0913
302 C A -0.0811
303 V A 0.0026
304 N A -0.4733
305 G A 0.0000
306 W A -0.9377
307 T A -1.3054
308 G A -1.5661
309 E A -2.1457
310 S A -1.4878
311 C A 0.0000
312 S A -1.5795
313 Q A -2.0381
314 N A -1.4949
315 I A -1.1934
316 D A -2.1503
317 D A -0.9545
318 C A -0.3667
319 A A -0.2878
320 T A 0.2736
321 A A 0.7756
322 V A 1.8254
323 C A 1.3464
324 F A 0.3636
325 H A -1.0713
326 G A -0.6605
327 A A -0.0029
328 T A 0.1688
329 C A 0.4838
330 H A -0.6655
331 D A -1.2969
332 R A -1.0249
333 V A -0.4212
334 A A -0.4799
335 S A -0.4246
336 F A 0.4674
337 Y A 1.2941
338 C A 1.3046
339 A A 0.7741
340 C A 0.3811
341 P A -0.5465
342 M A -0.3317
343 G A -0.4818
344 K A -1.2153
345 T A -0.5860
346 G A 0.4559
347 L A 1.9080
348 L A 1.5816
349 C A 0.0000
350 H A -0.1943
351 L A -1.1224
352 D A -2.4307
353 D A -1.5391
354 A A -1.3062
355 C A -0.6727
356 V A 0.5044
357 S A -0.2079
358 N A -1.2090
359 P A -1.0642
360 C A -1.5903
361 H A -2.4226
362 E A -3.1082
363 D A -2.5550
364 A A 0.0000
365 I A -0.4591
366 C A -0.9800
367 D A -1.7613
368 T A 0.0000
369 N A -1.3088
370 P A -0.3665
371 V A 0.1818
372 N A -1.9572
373 G A -1.8972
374 R A -2.3686
375 A A -1.3156
376 I A -0.2568
377 C A -0.6370
378 T A -0.1575
379 C A -0.6502
380 P A -0.6198
381 P A -0.5294
382 G A -0.8858
383 F A -1.5055
384 T A -1.1279
385 G A -1.3872
386 G A -0.9544
387 A A -1.2942
388 C A 0.0000
389 D A -2.8064
390 Q A -2.5779
391 D A -2.0393
392 V A -1.0487
393 D A -1.1145
394 E A -0.8794
395 C A -0.5541
396 S A -0.1114
397 I A 0.8282
398 G A -0.0491
399 A A -0.4788
400 N A -1.6654
401 P A -1.2427
402 C A 0.0000
403 E A -2.5221
404 H A -1.6395
405 L A -0.0960
406 G A 0.0000
407 R A -2.2659
408 C A 0.0000
409 V A -0.2954
410 N A -0.7667
411 T A -0.7176
412 Q A -1.6437
413 G A -1.3857
414 S A -0.6180
415 F A -0.1575
416 L A -0.0395
417 C A -1.1773
418 Q A -1.7079
419 C A -1.7197
420 G A -1.3048
421 R A -1.9395
422 G A -1.2287
423 Y A -1.2023
424 T A -1.5180
425 G A -1.3856
426 P A -1.2671
427 R A -2.4883
428 C A 0.0000
429 E A -2.4692
430 T A -1.6923
431 D A -1.7546
432 V A -0.8421
433 N A -0.7430
434 E A -0.9116
435 C A -0.1197
436 L A 0.9386
437 S A 0.0806
438 G A -0.5104
439 P A -0.4353
440 C A -0.7985
441 R A -2.3755
442 N A -1.8508
443 Q A -1.7785
444 A A -0.4296
445 T A 0.3201
446 C A 0.4363
447 L A 0.3699
448 D A -0.8943
449 R A -1.4772
450 I A -0.0430
451 G A 0.0000
452 Q A -1.5048
453 F A -0.4395
454 T A 0.2588
455 C A 0.9834
456 I A 2.1068
457 C A 0.7973
458 M A 0.1766
459 A A 0.2549
460 G A -0.6611
461 F A -0.3125
462 T A 0.0780
463 G A -0.0848
464 T A 0.1975
465 Y A 0.1484
466 C A 0.0000
467 E A -1.3210
468 V A -0.3834
469 D A -1.8707
470 I A -1.5166
471 D A -3.2408
472 E A -3.0971
473 C A -2.2383
474 Q A -2.2749
475 S A -1.3604
476 S A -0.6562
477 P A -0.0891
478 C A 0.2968
479 V A 0.5493
480 N A -0.7434
481 G A -0.2595
482 G A 0.3808
483 V A 1.2598
484 C A -0.3553
485 K A -2.2325
486 D A -3.6165
487 R A -2.9106
488 V A -0.6627
489 N A -1.5407
490 G A -1.5234
491 F A -1.6668
492 S A -0.8099
493 C A 0.2149
494 T A 0.3860
495 C A 0.3585
496 P A -0.3464
497 S A -0.9634
498 G A -1.9561
499 F A -1.0171
500 S A -0.6037
501 G A -0.5195
502 S A -0.2365
503 T A 0.0475
504 C A 0.0000
505 Q A -0.9867
506 L A -0.3414
507 D A -2.5378
508 V A -1.9434
509 D A -2.9264
510 E A -2.8269
511 C A -1.7335
512 A A -1.0330
513 S A -0.7185
514 T A -0.9171
515 P A -0.7902
516 C A 0.0000
517 R A -3.0028
518 N A -2.9044
519 G A -2.3201
520 A A -2.7937
521 K A -2.9015
522 C A -2.2071
523 V A -1.8684
524 D A -3.3641
525 Q A -2.9315
526 P A -2.6078
527 D A -2.9639
528 G A -2.2056
529 Y A -2.0554
530 E A -2.1842
531 C A -2.1737
532 R A -2.7889
533 C A -2.8158
534 A A -1.9689
535 E A -1.7934
536 G A -1.2126
537 F A -2.4680
538 E A -2.7715
539 G A -2.0502
540 T A -1.3698
541 L A -1.7390
542 C A 0.0000
543 D A -3.6916
544 R A -3.8377
545 N A -2.8286
546 V A -1.8671
547 D A -2.5296
548 D A -1.9086
549 C A -2.0638
550 S A -1.7747
551 P A -1.5981
552 D A -2.8332
553 P A -1.9317
554 C A 0.0000
555 H A -2.4720
556 H A -1.9245
557 G A -1.8181
558 R A -2.3421
559 C A -1.5618
560 V A -0.7466
561 D A -1.9063
562 G A -0.2478
563 I A 0.8388
564 A A -0.2901
565 S A -0.1868
566 F A -0.4917
567 S A -0.5606
568 C A -1.2407
569 A A -0.4872
570 C A -0.8915
571 A A -0.8035
572 P A -0.6540
573 G A -0.9557
574 Y A -1.0058
575 T A -0.9679
576 G A -1.2080
577 T A -0.9874
578 R A -2.2385
579 C A 0.0000
580 E A -2.4280
581 S A -1.7420
582 Q A -1.5829
583 V A -1.7424
584 D A -2.7630
585 E A -2.7607
586 C A -2.5327
587 R A -3.1129
588 S A -2.0490
589 Q A -2.7466
590 P A -1.5826
591 C A 0.0000
592 R A -2.6377
593 H A -1.5089
594 G A -1.9322
595 G A -2.2029
596 K A -2.7766
597 C A -1.8240
598 L A -1.0083
599 D A -1.9028
600 L A -0.2410
601 V A -0.0398
602 D A -2.1817
603 K A -1.9285
604 Y A -0.5063
605 L A 0.4944
606 C A -0.8719
607 R A -2.0364
608 C A -1.1991
609 P A -1.1621
610 S A -0.4409
611 G A -0.4195
612 T A 0.0000
613 T A 0.1775
614 G A 0.2389
615 V A 1.3774
616 N A -0.5065
617 C A 0.0000
618 E A -0.5155
619 V A 0.6947
620 N A -0.3763
621 I A 0.2867
622 D A -1.9747
623 D A -2.7392
624 C A -1.9653
625 A A -1.0406
626 S A -1.2274
627 N A -1.3467
628 P A -0.4365
629 C A 0.0000
630 T A 0.5588
631 F A 1.2601
632 G A 0.7644
633 V A 1.2591
634 C A -0.6125
635 R A -2.6734
636 D A -2.5478
637 G A -1.9191
638 I A -0.4805
639 N A -1.9519
640 R A -2.9665
641 Y A -2.4941
642 D A -2.2262
643 C A -0.2482
644 V A 0.6089
645 C A 0.5229
646 Q A -0.7966
647 P A -1.2891
648 G A -1.7132
649 F A -0.4946
650 T A 0.2978
651 G A 0.3193
652 P A -0.0667
653 L A 0.8649
654 C A 0.0000
655 N A -0.1472
656 V A 0.7568
657 E A -1.5007
658 I A -1.1384
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1998 R A -1.6225
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2244 Y A 1.7486
2245 L A 1.9127
2246 T A 0.8877
2247 P A -0.1249
2248 S A -0.7845
2249 P A -1.3512
2250 E A -2.3628
2251 S A -1.8751
2252 P A -1.7687
2253 E A -2.3857
2254 H A -1.3526
2255 W A 0.1464
2256 A A 0.0455
2257 S A -0.1626
2258 P A -0.4200
2259 S A -0.5774
2260 P A -0.6071
2261 P A -0.2654
2262 S A 0.3106
2263 L A 0.8599
2264 S A -0.1792
2265 D A -1.0171
2266 W A -0.2770
2267 S A -0.9223
2268 E A -1.8270
2269 S A -1.2994
2270 T A -0.7779
2271 P A -0.7114
2272 S A -0.5025
2273 P A -0.4136
2274 A A -0.1685
2275 T A -0.0810
2276 A A -0.1056
2277 T A -0.1628
2278 G A -0.2263
2279 A A 0.3973
2280 M A 0.9787
2281 A A 0.5334
2282 T A 0.1694
2283 T A -0.1245
2284 T A -0.3376
2285 G A -0.1473
2286 A A 0.4998
2287 L A 1.2364
2288 P A 0.2134
2289 A A -0.2942
2290 Q A -0.8706
2291 P A -0.0258
2292 L A 1.4196
2293 P A 1.3351
2294 L A 2.0330
2295 S A 1.5352
2296 V A 1.7860
2297 P A 0.6657
2298 S A 0.2845
2299 S A 0.2831
2300 L A 1.0810
2301 A A 0.0501
2302 Q A -0.9679
2303 A A -1.0864
2304 Q A -1.5444
2305 T A -0.9901
2306 Q A -0.9031
2307 L A 0.3604
2308 G A -0.4807
2309 P A -1.1184
2310 Q A -1.5590
2311 P A -1.4642
2312 E A -1.3882
2313 V A 0.5801
2314 T A -0.1611
2315 P A -1.1641
2316 K A -3.1163
2317 R A -3.0572
2318 Q A -1.1455
2319 V A 1.5293
2320 L A 2.2073
2321 A A 1.1969
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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 -0.0962 7.2816 View CSV PDB
4.5 -0.1825 7.2816 View CSV PDB
5.0 -0.2855 7.2816 View CSV PDB
5.5 -0.3913 7.2816 View CSV PDB
6.0 -0.4879 7.2816 View CSV PDB
6.5 -0.5677 7.2816 View CSV PDB
7.0 -0.6303 7.2816 View CSV PDB
7.5 -0.6812 7.2816 View CSV PDB
8.0 -0.7237 7.2816 View CSV PDB
8.5 -0.7563 7.2816 View CSV PDB
9.0 -0.7749 7.2816 View CSV PDB