Project name: C338R

Status: done

Started: 2026-05-06 07:00:51
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYRACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:25:05)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8d45e0035b1fd8a/tmp/folded.pdb                (00:25:05)
[INFO]       Main:     Simulation completed successfully.                                          (01:02:30)
Show buried residues

Minimal score value
-4.6335
Maximal score value
5.7365
Average score
-0.731
Total score value
-1696.7298

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 0.7174
2 G A -0.1943
3 P A -0.6421
4 G A -1.0826
5 A A -1.5021
6 R A -2.8633
7 G A -2.9085
8 R A -3.8427
9 R A -4.4505
10 R A -4.6335
11 R A -4.4972
12 R A -3.9864
13 R A -3.0519
14 P A -1.3111
15 M A 0.0838
16 S A -0.2012
17 P A -0.3544
18 P A -0.5231
19 P A -0.6849
20 P A -0.6872
21 P A -0.4235
22 P A -0.3709
23 P A -0.0839
24 V A 0.8633
25 R A -0.6576
26 A A 0.4950
27 L A 1.7932
28 P A 1.6934
29 L A 3.2572
30 L A 3.8458
31 L A 3.9162
32 L A 3.6860
33 L A 2.8127
34 A A 1.1671
35 G A 0.0047
36 P A -0.4277
37 G A -0.6640
38 A A -0.2815
39 A A -0.3511
40 A A -0.4566
41 P A -1.1323
42 P A -0.9468
43 C A -0.9257
44 L A 0.0131
45 D A -1.3909
46 G A -0.9548
47 S A -0.7421
48 P A -0.9211
49 C A -0.9627
50 A A -1.2159
51 N A -1.6229
52 G A -1.2336
53 G A -1.1235
54 R A -1.5945
55 C A -0.4087
56 T A -0.8206
57 Q A -1.8952
58 L A -1.3715
59 P A -1.3481
60 S A -1.8207
61 R A -3.0797
62 E A -2.8475
63 A A 0.0000
64 A A -0.9385
65 C A -0.4795
66 L A 0.5709
67 C A -0.0577
68 P A -0.2377
69 P A -0.4733
70 G A -1.0488
71 W A -0.8548
72 V A -0.7388
73 G A -0.7693
74 E A -1.7387
75 R A -1.4645
76 C A 0.0000
77 Q A -1.5200
78 L A -1.3919
79 E A -2.3370
80 D A -1.6516
81 P A -1.4166
82 C A -1.0372
83 H A -1.5617
84 S A -1.1547
85 G A -0.7234
86 P A -0.4381
87 C A -0.8009
88 A A -0.5502
89 G A -1.1180
90 R A -1.9267
91 G A -1.1843
92 V A 0.1834
93 C A -0.3764
94 Q A -0.8935
95 S A -0.5888
96 S A -0.0894
97 V A 0.7547
98 V A 1.5660
99 A A 0.6228
100 G A -0.1842
101 T A -0.1305
102 A A 0.0000
103 R A -1.3835
104 F A -0.8010
105 S A -0.8919
106 C A -0.9824
107 R A -1.7742
108 C A -1.1243
109 P A -1.3058
110 R A -1.8768
111 G A -0.2171
112 F A -0.1075
113 R A -0.5361
114 G A -0.5117
115 P A -0.7148
116 D A -0.7627
117 C A 0.0000
118 S A -0.0248
119 L A 0.5625
120 P A 0.0536
121 D A -0.0770
122 P A 0.1502
123 C A 0.3878
124 L A 0.7857
125 S A 0.2685
126 S A -0.1178
127 P A -0.3393
128 C A -1.1317
129 A A -1.5292
130 H A -1.7546
131 G A -1.3256
132 A A -1.5573
133 R A -1.8378
134 C A -0.2015
135 S A -0.0760
136 V A 0.1420
137 G A 0.0000
138 P A -1.1906
139 D A -2.2400
140 G A -1.5393
141 R A -1.9477
142 F A -0.5061
143 L A 0.1386
144 C A -0.6913
145 S A -0.9122
146 C A -1.2919
147 P A -0.8256
148 P A -0.4858
149 G A -0.7938
150 Y A -1.7608
151 Q A -2.3419
152 G A -2.4381
153 R A -2.3451
154 S A 0.0000
155 C A 0.0000
156 R A -2.9007
157 S A -2.2239
158 D A -1.7987
159 V A -1.1005
160 D A -0.9727
161 E A -1.3067
162 C A -1.3825
163 R A -1.6686
164 V A 0.1690
165 G A -0.9785
166 E A -2.3567
167 P A -1.7375
168 C A 0.0000
169 R A -3.0017
170 H A -2.1384
171 G A -1.7333
172 G A -1.7350
173 T A -1.2830
174 C A -1.4359
175 L A -0.6989
176 N A -1.1586
177 T A -0.7808
178 P A -0.9245
179 G A -1.0587
180 S A -0.7925
181 F A -0.9297
182 R A -1.8481
183 C A -1.6196
184 Q A -1.5344
185 C A -1.2103
186 P A -0.6412
187 A A 0.1396
188 G A 0.1869
189 Y A -0.4981
190 T A -0.6363
191 G A -0.8768
192 P A -1.0410
193 L A -1.3068
194 C A 0.0000
195 E A -1.7097
196 N A -1.5051
197 P A -0.4442
198 A A 0.5531
199 V A 1.4609
200 P A 0.1751
201 C A -0.1972
202 A A 0.3682
203 P A 0.0807
204 S A -0.6625
205 P A -1.1328
206 C A 0.0000
207 R A -2.8394
208 N A -1.9015
209 G A -1.3242
210 G A -1.6611
211 T A -1.1914
212 C A -1.8162
213 R A -2.9162
214 Q A -2.3368
215 S A -1.7158
216 G A -1.3389
217 D A -1.0221
218 L A 0.8596
219 T A -0.4152
220 Y A -1.5077
221 D A -2.7842
222 C A -2.2403
223 A A -0.8982
224 C A -0.8270
225 L A 0.0769
226 P A 0.0013
227 G A -0.3722
228 F A -0.9605
229 E A -1.9817
230 G A -1.7768
231 Q A -2.3096
232 N A -2.2238
233 C A 0.0000
234 E A -1.9762
235 V A -0.7169
236 N A -0.6217
237 V A -0.7381
238 D A -1.6710
239 D A -1.9188
240 C A -1.6281
241 P A -1.4098
242 G A -1.3684
243 H A -1.5987
244 R A -1.9827
245 C A -0.9338
246 L A 0.1104
247 N A -0.6371
248 G A -0.5687
249 G A 0.0000
250 T A -0.5410
251 C A -0.7288
252 V A -0.1226
253 D A -0.8303
254 G A -0.2074
255 V A 0.6549
256 N A -0.8412
257 T A -0.7231
258 Y A -1.1476
259 N A -1.7031
260 C A -1.2376
261 Q A -1.3321
262 C A -1.1175
263 P A -0.6237
264 P A -0.7285
265 E A -1.1039
266 W A -1.0924
267 T A -1.4892
268 G A -1.5398
269 Q A -1.9434
270 F A -1.3538
271 C A 0.0000
272 T A -1.2168
273 E A -2.0505
274 D A -1.2687
275 V A -0.8544
276 D A -0.7373
277 E A -0.4454
278 C A -0.3079
279 Q A -0.7019
280 L A 0.2960
281 Q A -0.5929
282 P A -0.8291
283 N A -1.0563
284 A A -0.6822
285 C A 0.0000
286 H A -1.5409
287 N A -1.1216
288 G A -0.4173
289 G A 0.2845
290 T A 0.9911
291 C A 0.6970
292 F A 1.5722
293 N A 0.0227
294 T A 0.4421
295 L A 0.7679
296 G A -0.3578
297 G A -0.1281
298 H A -0.2594
299 S A 0.1624
300 C A 0.7837
301 V A 2.1127
302 C A 0.8588
303 V A 1.8041
304 N A 0.5015
305 G A 0.0000
306 W A -0.3073
307 T A -0.7068
308 G A -1.2655
309 E A -1.9819
310 S A -1.3048
311 C A 0.0000
312 S A -1.5502
313 Q A -1.9628
314 N A -1.3151
315 I A -0.9161
316 D A -1.9523
317 D A -1.0609
318 C A -0.2985
319 A A -0.2961
320 T A 0.0735
321 A A 0.8298
322 V A 2.1579
323 C A 1.4322
324 F A 0.8739
325 H A -0.8889
326 G A -0.7174
327 A A 0.0000
328 T A -0.0867
329 C A 0.2442
330 H A -0.5868
331 D A -0.8637
332 R A -0.2959
333 V A 0.3354
334 A A -0.0803
335 S A 0.0513
336 F A 0.4556
337 Y A 1.2683
338 R A 1.0212
339 A A 0.5004
340 C A 0.4966
341 P A -0.1488
342 M A 0.4126
343 G A 0.0086
344 K A -0.8903
345 T A -0.6196
346 G A 0.3450
347 L A 1.8666
348 L A 1.5295
349 C A 0.0000
350 H A -0.0822
351 L A -0.9069
352 D A -2.0782
353 D A -1.3830
354 A A -0.9514
355 C A -0.2243
356 V A 0.7785
357 S A -0.1301
358 N A -0.9467
359 P A -0.8696
360 C A -1.1669
361 H A -2.1438
362 E A -2.8574
363 D A -2.1993
364 A A -0.8146
365 I A 1.0509
366 C A 0.0737
367 D A -0.9606
368 T A 0.0000
369 N A -0.4617
370 P A -0.2309
371 V A 0.6272
372 N A -0.7933
373 G A -1.2206
374 R A -1.2279
375 A A -0.3244
376 I A 0.7278
377 C A 0.1328
378 T A 0.4755
379 C A -0.2666
380 P A -0.3992
381 P A -0.4481
382 G A -0.7222
383 F A -1.3892
384 T A -1.1831
385 G A -1.3958
386 G A -0.8319
387 A A -1.2039
388 C A 0.0000
389 D A -2.8061
390 Q A -2.5494
391 D A -1.9342
392 V A -0.8341
393 D A -0.8390
394 E A -0.1805
395 C A -0.1158
396 S A 0.1741
397 I A 1.2763
398 G A 0.2059
399 A A -0.4486
400 N A -1.4374
401 P A -1.0395
402 C A 0.0000
403 E A -2.6863
404 H A -1.5159
405 L A -0.0749
406 G A 0.0000
407 R A -2.1761
408 C A 0.0000
409 V A 0.0823
410 N A -0.5017
411 T A -0.4820
412 Q A -1.6422
413 G A -1.2724
414 S A -0.3005
415 F A 0.3421
416 L A 0.7069
417 C A -1.0926
418 Q A -1.5798
419 C A -1.7284
420 G A -1.3409
421 R A -2.0127
422 G A 0.0000
423 Y A -1.4513
424 T A -1.6658
425 G A -1.5792
426 P A -1.2931
427 R A -2.6955
428 C A 0.0000
429 E A -2.8197
430 T A -1.9770
431 D A -2.2301
432 V A -0.9265
433 N A -0.9025
434 E A -0.7986
435 C A -0.2422
436 L A 0.9594
437 S A 0.1813
438 G A -0.4355
439 P A -0.3259
440 C A -0.8353
441 R A -2.2103
442 N A -1.9258
443 Q A -1.7979
444 A A -0.4606
445 T A 0.0854
446 C A 0.0479
447 L A -0.4131
448 D A -2.0237
449 R A -2.1205
450 I A -0.6385
451 G A 0.0000
452 Q A -1.6999
453 F A -0.7688
454 T A -0.0335
455 C A 0.6642
456 I A 1.8012
457 C A 0.8499
458 M A 0.3762
459 A A 0.3571
460 G A 0.0000
461 F A -0.2601
462 T A 0.1203
463 G A -0.0427
464 T A 0.2416
465 Y A 0.1963
466 C A 0.0000
467 E A -1.1668
468 V A -0.3577
469 D A -1.8632
470 I A -1.5348
471 D A -3.2640
472 E A -2.9842
473 C A -2.2202
474 Q A -2.2432
475 S A -1.3299
476 S A -0.6501
477 P A -0.0476
478 C A 0.2934
479 V A 0.5592
480 N A -0.6982
481 G A -0.2496
482 G A 0.3667
483 V A 1.2190
484 C A -0.4132
485 K A -2.3899
486 D A -3.6762
487 R A -2.9273
488 V A -0.6380
489 N A -1.4859
490 G A -1.5013
491 F A -1.6521
492 S A -0.8237
493 C A 0.1799
494 T A 0.3617
495 C A 0.3643
496 P A -0.2990
497 S A -0.9215
498 G A -1.9307
499 F A -0.9908
500 S A -0.6024
501 G A -0.4968
502 S A -0.2196
503 T A 0.0719
504 C A 0.0000
505 Q A -0.9736
506 L A -0.3485
507 D A -2.5123
508 V A -1.9323
509 D A -2.9508
510 E A -2.8198
511 C A -1.7481
512 A A -1.0332
513 S A -0.7234
514 T A -0.9517
515 P A -0.9936
516 C A 0.0000
517 R A -3.2265
518 N A -2.2685
519 G A -2.0987
520 A A -2.6662
521 K A -2.8471
522 C A -2.2817
523 V A -1.9613
524 D A -3.3400
525 Q A -2.9374
526 P A -2.4902
527 D A -2.9473
528 G A -2.2094
529 Y A -2.0436
530 E A -2.3035
531 C A -2.2284
532 R A -2.9792
533 C A -2.6856
534 A A -1.7973
535 E A -1.7485
536 G A -0.9559
537 F A -2.1165
538 E A -2.8665
539 G A -1.9367
540 T A -1.3038
541 L A -1.6400
542 C A 0.0000
543 D A -3.4404
544 R A -3.5319
545 N A -2.1832
546 V A -1.4939
547 D A -2.2133
548 D A -1.4958
549 C A -1.6741
550 S A -1.6897
551 P A -1.6207
552 D A -2.6907
553 P A -1.9745
554 C A 0.0000
555 H A -2.5946
556 H A -2.0450
557 G A -1.8151
558 R A -2.1260
559 C A 0.0000
560 V A 0.3962
561 D A -0.6406
562 G A 0.4668
563 I A 1.1348
564 A A -0.0186
565 S A 0.1678
566 F A 0.0539
567 S A -0.1196
568 C A -1.0101
569 A A -0.3638
570 C A -1.1085
571 A A -0.8552
572 P A -0.6573
573 G A -0.9804
574 Y A -1.1328
575 T A -1.0736
576 G A -1.3153
577 T A -1.0749
578 R A -2.4556
579 C A 0.0000
580 E A -2.6949
581 S A -1.8950
582 Q A -1.8189
583 V A -1.7505
584 D A -2.9222
585 E A -2.9403
586 C A -2.6586
587 R A -3.1617
588 S A -2.0747
589 Q A -2.7740
590 P A -1.5823
591 C A -1.8728
592 R A -2.8500
593 H A -1.8588
594 G A -2.1013
595 G A -2.3057
596 K A -2.8234
597 C A -1.9310
598 L A -1.0843
599 D A -2.1717
600 L A -0.3458
601 V A -0.0749
602 D A -2.2230
603 K A -2.0520
604 Y A -0.9261
605 L A 0.1186
606 C A 0.0000
607 R A -2.1306
608 C A -1.3505
609 P A -1.4069
610 S A -0.8448
611 G A -1.0767
612 T A 0.0000
613 T A 0.0200
614 G A 0.3638
615 V A 1.3200
616 N A -0.5633
617 C A 0.0000
618 E A -0.6507
619 V A 0.4678
620 N A -0.9106
621 I A -0.6667
622 D A -2.3846
623 D A -2.8893
624 C A 0.0000
625 A A -1.1101
626 S A -1.1952
627 N A -1.2346
628 P A -0.3997
629 C A -0.0206
630 T A 0.4261
631 F A 0.9771
632 G A 0.5724
633 V A 1.1082
634 C A -0.6588
635 R A -2.6694
636 D A -2.7605
637 G A -2.3061
638 I A -1.3565
639 N A -2.4284
640 R A -3.2248
641 Y A -2.7034
642 D A -2.2493
643 C A -0.3945
644 V A 0.3778
645 C A 0.3468
646 Q A -0.9548
647 P A -1.4317
648 G A -2.0442
649 F A -0.7754
650 T A 0.0278
651 G A 0.1412
652 P A -0.1196
653 L A 0.6131
654 C A 0.0000
655 N A -0.3510
656 V A 0.5788
657 E A -1.7472
658 I A -1.3486
659 N A -2.0521
660 E A -2.1439
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1998 R A -1.4890
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2249 P A -1.4137
2250 E A -2.3504
2251 S A -1.7544
2252 P A -1.9780
2253 E A -2.3840
2254 H A -1.3832
2255 W A 0.1969
2256 A A -0.0294
2257 S A -0.1946
2258 P A -0.4126
2259 S A -0.5853
2260 P A -0.4568
2261 P A -0.1747
2262 S A 0.3706
2263 L A 0.8473
2264 S A -0.1309
2265 D A -1.0231
2266 W A -0.2692
2267 S A -0.9503
2268 E A -1.7857
2269 S A -1.3075
2270 T A -0.7893
2271 P A -0.4958
2272 S A -0.5210
2273 P A -0.5259
2274 A A -0.2817
2275 T A -0.4874
2276 A A -0.2774
2277 T A -0.2976
2278 G A -0.2441
2279 A A 0.3487
2280 M A 1.0030
2281 A A 0.5563
2282 T A 0.1277
2283 T A -0.2314
2284 T A -0.3465
2285 G A -0.1281
2286 A A 0.5194
2287 L A 1.3555
2288 P A 0.2861
2289 A A -0.3438
2290 Q A -1.0147
2291 P A 0.0144
2292 L A 1.3601
2293 P A 1.2396
2294 L A 2.0357
2295 S A 1.5419
2296 V A 1.7833
2297 P A 0.4411
2298 S A 0.2229
2299 S A 0.3748
2300 L A 1.1631
2301 A A 0.1758
2302 Q A -1.0256
2303 A A -1.1369
2304 Q A -1.7017
2305 T A -0.9902
2306 Q A -0.8319
2307 L A 0.6517
2308 G A -0.3539
2309 P A -0.7828
2310 Q A -1.9618
2311 P A -1.4353
2312 E A -1.3953
2313 V A 0.7292
2314 T A -0.2079
2315 P A -1.2765
2316 K A -3.1219
2317 R A -3.0771
2318 Q A -1.2547
2319 V A 1.6423
2320 L A 2.2574
2321 A A 1.2364
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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 -0.0522 7.4554 View CSV PDB
4.5 -0.1365 7.3823 View CSV PDB
5.0 -0.2375 7.2783 View CSV PDB
5.5 -0.3414 7.1611 View CSV PDB
6.0 -0.436 7.1569 View CSV PDB
6.5 -0.5144 7.1569 View CSV PDB
7.0 -0.5764 7.1569 View CSV PDB
7.5 -0.6268 7.1569 View CSV PDB
8.0 -0.6689 7.1569 View CSV PDB
8.5 -0.7008 7.1569 View CSV PDB
9.0 -0.7192 7.1569 View CSV PDB