Project name: C311Y

Status: done

Started: 2026-05-12 07:14:32
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESYSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:51)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/398bae9d518ca5f/tmp/folded.pdb                (00:18:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:39:56)
Show buried residues

Minimal score value
-4.9169
Maximal score value
5.913
Average score
-0.7474
Total score value
-1734.7573

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 0.7080
2 G A -0.2014
3 P A -0.6787
4 G A -1.0597
5 A A -1.5296
6 R A -2.9336
7 G A -3.0238
8 R A -4.1960
9 R A -4.7337
10 R A -4.9169
11 R A -4.9131
12 R A -4.2931
13 R A -3.3456
14 P A -1.4672
15 M A -0.0480
16 S A -0.2465
17 P A -0.3415
18 P A -0.4995
19 P A -0.7072
20 P A -0.7173
21 P A -0.3716
22 P A -0.4016
23 P A -0.1566
24 V A 0.8870
25 R A -0.6376
26 A A 0.5727
27 L A 1.8557
28 P A 1.7428
29 L A 3.3542
30 L A 3.9843
31 L A 4.0432
32 L A 3.7653
33 L A 2.9034
34 A A 1.1896
35 G A 0.0546
36 P A -0.4625
37 G A -0.6722
38 A A -0.2954
39 A A -0.2728
40 A A -0.4825
41 P A -1.1588
42 P A -1.1937
43 C A 0.0000
44 L A -0.8269
45 D A -1.6902
46 G A -1.6406
47 S A -1.2011
48 P A -1.5742
49 C A 0.0000
50 A A -0.9766
51 N A -0.7874
52 G A -0.5016
53 G A 0.0000
54 R A -1.8552
55 C A -1.1293
56 T A -1.1944
57 Q A -1.9097
58 L A -1.1736
59 P A -1.3383
60 S A -1.8223
61 R A -3.0758
62 E A -2.8629
63 A A -1.8424
64 A A -1.0492
65 C A -0.5499
66 L A 0.5967
67 C A -0.1103
68 P A 0.0029
69 P A -0.4029
70 G A -0.9593
71 W A -0.7068
72 V A -0.8685
73 G A -0.8774
74 E A -1.8615
75 R A -1.6480
76 C A 0.0000
77 Q A -1.3888
78 L A -1.3610
79 E A -2.2452
80 D A -1.7051
81 P A -1.4563
82 C A -1.0597
83 H A -1.6402
84 S A -1.1592
85 G A -0.9227
86 P A -0.6767
87 C A -0.9142
88 A A -0.5609
89 G A -0.9432
90 R A -1.8177
91 G A -1.1045
92 V A 0.4075
93 C A -0.3954
94 Q A -1.0257
95 S A -0.6855
96 S A -0.2196
97 V A 0.5253
98 V A 1.5034
99 A A 0.5977
100 G A -0.2408
101 T A -0.1626
102 A A 0.0000
103 R A -1.4979
104 F A -0.8415
105 S A -1.0101
106 C A -1.0626
107 R A -1.7849
108 C A -1.1504
109 P A -1.2583
110 R A -1.9221
111 G A -0.3153
112 F A -0.2615
113 R A -0.5783
114 G A -0.6366
115 P A -0.8747
116 D A -1.0049
117 C A 0.0000
118 S A -0.3029
119 L A 0.5372
120 P A 0.0121
121 D A -0.1127
122 P A 0.1357
123 C A 0.3342
124 L A 0.6645
125 S A 0.2438
126 S A -0.1773
127 P A -0.4567
128 C A -1.1522
129 A A -1.6584
130 H A -1.6958
131 G A -1.2998
132 A A -1.5455
133 R A -1.8365
134 C A -0.4300
135 S A -0.0549
136 V A 0.0769
137 G A -0.6134
138 P A -1.2090
139 D A -2.2622
140 G A -1.5434
141 R A -1.9335
142 F A -0.4798
143 L A 0.2195
144 C A -0.6807
145 S A -0.8866
146 C A -1.2771
147 P A -0.8131
148 P A -0.4857
149 G A -0.8284
150 Y A -1.7651
151 Q A -2.4266
152 G A -2.4658
153 R A -2.3370
154 S A -1.8755
155 C A 0.0000
156 R A -2.9095
157 S A -2.2620
158 D A -1.9237
159 V A -1.1687
160 D A -1.2230
161 E A -1.1088
162 C A -1.3006
163 R A -1.7109
164 V A 0.2386
165 G A -0.9325
166 E A -2.2945
167 P A -1.6815
168 C A 0.0000
169 R A -2.9151
170 H A -2.1808
171 G A -1.7991
172 G A -1.7541
173 T A -1.2837
174 C A -1.4048
175 L A -0.5563
176 N A -1.3788
177 T A 0.0000
178 P A -0.9808
179 G A -1.0672
180 S A -0.7564
181 F A -0.8756
182 R A -1.8213
183 C A -1.6242
184 Q A -1.3420
185 C A -1.2975
186 P A -0.6476
187 A A 0.0800
188 G A 0.0824
189 Y A -0.4470
190 T A -0.7293
191 G A -0.9641
192 P A -1.0968
193 L A -1.4032
194 C A 0.0000
195 E A -1.9824
196 N A -1.5754
197 P A -0.4756
198 A A 0.3558
199 V A 1.1218
200 P A -0.1775
201 C A -0.3379
202 A A 0.2704
203 P A 0.0389
204 S A -0.6919
205 P A -1.0385
206 C A -2.0926
207 R A -2.8157
208 N A -1.8662
209 G A -1.1567
210 G A -1.4853
211 T A -1.1578
212 C A -1.8210
213 R A -2.9270
214 Q A -2.4709
215 S A -1.8491
216 G A -1.3950
217 D A -1.3288
218 L A 0.3078
219 T A -0.7395
220 Y A -1.6936
221 D A -2.8280
222 C A -2.2435
223 A A -0.8907
224 C A -0.7839
225 L A 0.2005
226 P A -0.0027
227 G A -0.4525
228 F A -1.0336
229 E A -2.2386
230 G A -2.0313
231 Q A -2.3331
232 N A -2.2008
233 C A 0.0000
234 E A -2.0324
235 V A -0.8237
236 N A -0.7139
237 V A -0.9135
238 D A -1.7920
239 D A -1.5664
240 C A -1.4898
241 P A -1.3168
242 G A -1.3088
243 H A -1.5801
244 R A -2.1227
245 C A 0.0000
246 L A 0.0057
247 N A -0.8768
248 G A -0.6211
249 G A -0.8129
250 T A -0.6185
251 C A -0.7091
252 V A -0.1346
253 D A -0.8611
254 G A -0.2444
255 V A 0.6609
256 N A -0.7796
257 T A -0.6888
258 Y A -1.1956
259 N A -1.7481
260 C A -1.2854
261 Q A -1.3517
262 C A -1.1546
263 P A -0.6393
264 P A -0.7441
265 E A -1.0849
266 W A -1.1139
267 T A -1.3631
268 G A -1.6376
269 Q A -1.9418
270 F A -1.3973
271 C A 0.0000
272 T A -1.2386
273 E A -2.0872
274 D A -1.3247
275 V A -1.0195
276 D A -1.1942
277 E A 0.0000
278 C A -0.5272
279 Q A -1.0925
280 L A -0.5177
281 Q A -0.9953
282 P A -0.6839
283 N A -0.8066
284 A A -0.5256
285 C A 0.0000
286 H A -1.2125
287 N A -0.9319
288 G A -0.2568
289 G A 0.3520
290 T A 0.8956
291 C A 0.7597
292 F A 1.6146
293 N A 0.1382
294 T A 0.4650
295 L A 0.7340
296 G A -0.3745
297 G A -0.1452
298 H A -0.0513
299 S A 0.2864
300 C A 0.7635
301 V A 1.7752
302 C A 0.4456
303 V A 0.1133
304 N A -0.7424
305 G A 0.0000
306 W A -0.6772
307 T A -0.8251
308 G A -1.2826
309 E A -1.9437
310 S A -1.2158
311 Y A -0.9350
312 S A -1.3575
313 Q A -1.8208
314 N A -1.2381
315 I A -0.5966
316 D A -1.8025
317 D A -0.7459
318 C A -0.2198
319 A A -0.1557
320 T A 0.1831
321 A A 0.7762
322 V A 1.7284
323 C A 1.2846
324 F A 0.5740
325 H A -0.8471
326 G A 0.0626
327 A A 0.0000
328 T A 0.6349
329 C A 0.4508
330 H A -0.8266
331 D A -0.9720
332 R A -0.4787
333 V A -0.2403
334 A A -0.4025
335 S A -0.0944
336 F A 0.5126
337 Y A 0.8777
338 C A 0.0000
339 A A 0.5943
340 C A 0.5138
341 P A 0.0000
342 M A -0.1556
343 G A -0.4060
344 K A -1.0594
345 T A -0.8569
346 G A -0.0839
347 L A 1.2353
348 L A 1.1989
349 C A 0.0000
350 H A -0.4671
351 L A -1.3516
352 D A -2.4284
353 D A -1.6640
354 A A -1.3493
355 C A 0.0000
356 V A 0.4053
357 S A 0.0766
358 N A -0.3720
359 P A -0.7695
360 C A -1.0828
361 H A -2.0143
362 E A -2.7864
363 D A -2.3401
364 A A 0.0000
365 I A 1.0663
366 C A 0.0000
367 D A -1.1960
368 T A 0.0000
369 N A -1.4561
370 P A -0.9001
371 V A -0.5734
372 N A -2.2195
373 G A -2.1494
374 R A -2.5432
375 A A 0.0000
376 I A -0.1146
377 C A -0.2331
378 T A 0.2911
379 C A -0.3332
380 P A -0.3368
381 P A -0.5120
382 G A -0.8598
383 F A -1.5024
384 T A -1.2373
385 G A -1.4418
386 G A -0.9618
387 A A -1.2233
388 C A 0.0000
389 D A -2.8200
390 Q A -2.6007
391 D A -2.0755
392 V A -1.0759
393 D A -0.9794
394 E A -0.6175
395 C A -0.3205
396 S A 0.0699
397 I A 1.1225
398 G A 0.1237
399 A A -0.5174
400 N A -1.5205
401 P A -1.2974
402 C A 0.0000
403 E A -2.6535
404 H A -1.5789
405 L A -0.0573
406 G A 0.0000
407 R A -2.1406
408 C A 0.0000
409 V A 0.0939
410 N A -0.5282
411 T A -0.5489
412 Q A -1.7019
413 G A -1.3618
414 S A -0.4641
415 F A 0.0972
416 L A 0.5828
417 C A -1.1174
418 Q A -1.5861
419 C A -1.7156
420 G A -1.3037
421 R A -1.8710
422 G A 0.0000
423 Y A -1.1652
424 T A -1.5228
425 G A -1.4991
426 P A -1.3066
427 R A -2.7014
428 C A 0.0000
429 E A -2.7535
430 T A -1.7381
431 D A -1.6227
432 V A -0.5965
433 N A -0.6426
434 E A -0.6254
435 C A -0.1928
436 L A 0.9689
437 S A 0.1984
438 G A -0.4307
439 P A -0.3100
440 C A -0.8197
441 R A -2.2311
442 N A -1.9670
443 Q A -1.8372
444 A A -0.4887
445 T A 0.0685
446 C A 0.0949
447 L A -0.3046
448 D A -1.8777
449 R A -1.7052
450 I A -0.0207
451 G A 0.0000
452 Q A -1.5050
453 F A -0.6290
454 T A 0.0197
455 C A 0.6560
456 I A 1.7652
457 C A 0.7839
458 M A 0.2549
459 A A 0.2924
460 G A -0.7156
461 F A -0.3056
462 T A 0.0991
463 G A -0.0392
464 T A 0.2560
465 Y A 0.2190
466 C A 0.0000
467 E A -1.1627
468 V A -0.3506
469 D A -1.9023
470 I A -1.6033
471 D A -3.3363
472 E A -3.0723
473 C A -2.2270
474 Q A -2.2833
475 S A -1.3592
476 S A -0.6395
477 P A -0.0480
478 C A 0.3335
479 V A 0.5835
480 N A -0.7215
481 G A -0.2511
482 G A 0.3943
483 V A 1.2810
484 C A -0.4859
485 K A -2.1749
486 D A -3.6119
487 R A -2.9194
488 V A -0.7008
489 N A -1.5433
490 G A -1.5257
491 F A -1.6326
492 S A -0.7697
493 C A 0.2345
494 T A 0.3967
495 C A 0.3610
496 P A -0.3315
497 S A -0.9686
498 G A -2.0015
499 F A -1.0395
500 S A -0.6067
501 G A -0.5157
502 S A -0.2303
503 T A 0.0616
504 C A 0.0000
505 Q A -0.9720
506 L A -0.3167
507 D A -2.5286
508 V A -1.9321
509 D A -2.9977
510 E A -2.8633
511 C A -1.8240
512 A A -1.0088
513 S A -0.7091
514 T A -0.9345
515 P A -1.0363
516 C A 0.0000
517 R A -3.4475
518 N A -2.9424
519 G A -2.3553
520 A A -2.9328
521 K A -2.9875
522 C A -2.4363
523 V A -2.2264
524 D A -3.6109
525 Q A -3.1830
526 P A -2.6689
527 D A -3.0103
528 G A -2.3872
529 Y A -2.4575
530 E A -2.6616
531 C A -2.6717
532 R A -3.1377
533 C A -3.0024
534 A A -1.9608
535 E A -1.9124
536 G A -1.2376
537 F A -2.4646
538 E A -3.4065
539 G A -2.1648
540 T A -1.5466
541 L A -2.1155
542 C A 0.0000
543 D A -3.7264
544 R A -3.5941
545 N A -2.3793
546 V A -1.7825
547 D A -2.2742
548 D A -1.4964
549 C A -1.7460
550 S A -1.6647
551 P A -1.5988
552 D A -2.7274
553 P A -1.9296
554 C A 0.0000
555 H A -2.4626
556 H A -1.9635
557 G A -1.8138
558 R A -2.2053
559 C A -1.4124
560 V A -0.0466
561 D A -0.7465
562 G A 0.4160
563 I A 0.9086
564 A A -0.0200
565 S A 0.1205
566 F A -0.0127
567 S A -0.2538
568 C A -1.0730
569 A A -0.4775
570 C A -1.0847
571 A A -0.7343
572 P A -0.6971
573 G A 0.0000
574 Y A -1.0838
575 T A -0.9793
576 G A -1.2106
577 T A -0.9873
578 R A -2.2788
579 C A 0.0000
580 E A -2.3451
581 S A -1.7020
582 Q A -1.6785
583 V A -1.5991
584 D A -2.5569
585 E A -2.3750
586 C A 0.0000
587 R A -3.0021
588 S A -1.9689
589 Q A -2.7584
590 P A -1.5867
591 C A 0.0000
592 R A -2.7756
593 H A -1.8280
594 G A -2.0506
595 G A -2.2480
596 K A -2.8258
597 C A 0.0000
598 L A -0.9467
599 D A -2.0666
600 L A -0.4338
601 V A -0.0763
602 D A -2.1442
603 K A -1.9399
604 Y A -0.9268
605 L A 0.2042
606 C A -1.0891
607 R A -2.0681
608 C A -1.3418
609 P A -1.3738
610 S A -0.6463
611 G A -0.8688
612 T A 0.0000
613 T A 0.1055
614 G A 0.4246
615 V A 1.3792
616 N A -0.4919
617 C A 0.0000
618 E A -0.4890
619 V A 0.6447
620 N A -0.8656
621 I A -0.4339
622 D A -2.2893
623 D A -2.8803
624 C A -2.1138
625 A A -1.0901
626 S A -1.2056
627 N A -1.1015
628 P A -0.3897
629 C A 0.0155
630 T A 0.5317
631 F A 1.0915
632 G A 0.5632
633 V A 1.1165
634 C A -0.6407
635 R A -2.6438
636 D A -2.6587
637 G A -2.2180
638 I A -1.1177
639 N A -2.3447
640 R A -3.2140
641 Y A -2.7389
642 D A -2.2756
643 C A -0.5400
644 V A 0.3434
645 C A 0.1062
646 Q A -1.0962
647 P A -1.4116
648 G A -1.8597
649 F A -0.7151
650 T A 0.0659
651 G A 0.2623
652 P A -0.1733
653 L A 0.6371
654 C A 0.0000
655 N A -0.3336
656 V A 0.5718
657 E A -1.6012
658 I A -0.9605
659 N A -1.8642
660 E A -1.7936
661 C A -0.8793
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1998 R A -1.5652
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2249 P A -1.5028
2250 E A -2.1993
2251 S A -1.7102
2252 P A -1.9196
2253 E A -2.2817
2254 H A -1.4594
2255 W A 0.2867
2256 A A 0.3185
2257 S A -0.1307
2258 P A -0.5185
2259 S A -0.5828
2260 P A -0.6223
2261 P A -0.2002
2262 S A 0.4071
2263 L A 0.8987
2264 S A -0.1147
2265 D A -1.0320
2266 W A -0.2794
2267 S A -0.9430
2268 E A -1.7882
2269 S A -1.2927
2270 T A -0.7368
2271 P A -0.5088
2272 S A -0.4844
2273 P A -0.4038
2274 A A -0.1410
2275 T A -0.1233
2276 A A -0.1109
2277 T A -0.2070
2278 G A -0.2363
2279 A A 0.3494
2280 M A 0.9838
2281 A A 0.5402
2282 T A 0.0980
2283 T A -0.2396
2284 T A -0.1701
2285 G A -0.1292
2286 A A 0.5126
2287 L A 1.2042
2288 P A 0.1512
2289 A A -0.3193
2290 Q A -0.8526
2291 P A -0.2068
2292 L A 1.3312
2293 P A 1.2402
2294 L A 2.0533
2295 S A 1.5898
2296 V A 1.8355
2297 P A 0.6282
2298 S A 0.2547
2299 S A 0.3935
2300 L A 1.1372
2301 A A 0.2973
2302 Q A -1.0515
2303 A A -1.1795
2304 Q A -1.7156
2305 T A -0.9720
2306 Q A -0.8373
2307 L A 0.6549
2308 G A -0.3234
2309 P A -0.8020
2310 Q A -1.9359
2311 P A -1.5047
2312 E A -1.3196
2313 V A 0.7007
2314 T A -0.0616
2315 P A -1.1178
2316 K A -3.0601
2317 R A -3.0188
2318 Q A -1.3355
2319 V A 1.5349
2320 L A 2.1901
2321 A A 1.2667
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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 -0.1009 7.1172 View CSV PDB
4.5 -0.184 7.1172 View CSV PDB
5.0 -0.2835 7.1172 View CSV PDB
5.5 -0.3854 7.1172 View CSV PDB
6.0 -0.4778 7.1172 View CSV PDB
6.5 -0.5535 7.1172 View CSV PDB
7.0 -0.6126 7.1172 View CSV PDB
7.5 -0.6608 7.1172 View CSV PDB
8.0 -0.7012 7.1172 View CSV PDB
8.5 -0.7321 7.1172 View CSV PDB
9.0 -0.75 7.1172 View CSV PDB