Project name: T465C

Status: done

Started: 2026-05-14 00:53:44
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTCCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:20:01)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/99a7aef3ec72aee/tmp/folded.pdb                (00:20:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:42)
Show buried residues

Minimal score value
-5.083
Maximal score value
6.0264
Average score
-0.7544
Total score value
-1750.9657

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 0.7061
2 G A -0.2096
3 P A -0.7130
4 G A -1.0418
5 A A -1.5807
6 R A -2.9565
7 G A -3.0456
8 R A -4.2979
9 R A -4.7985
10 R A -5.0830
11 R A -4.9888
12 R A -4.3523
13 R A -3.3885
14 P A -1.4747
15 M A -0.1144
16 S A -0.2728
17 P A -0.3558
18 P A -0.5036
19 P A -0.7099
20 P A -0.7180
21 P A -0.3667
22 P A -0.3623
23 P A -0.1586
24 V A 0.8807
25 R A -0.5997
26 A A 0.6030
27 L A 1.8217
28 P A 1.7929
29 L A 3.4194
30 L A 4.0334
31 L A 4.0947
32 L A 3.8452
33 L A 2.9411
34 A A 1.2329
35 G A 0.0897
36 P A -0.4523
37 G A -0.6601
38 A A -0.3413
39 A A -0.9958
40 A A -1.1713
41 P A -0.6476
42 P A -0.7766
43 C A -0.5171
44 L A 0.4293
45 D A -1.2851
46 G A -0.9237
47 S A -1.0048
48 P A -0.9112
49 C A -1.0830
50 A A -1.1759
51 N A -1.5879
52 G A -1.2225
53 G A 0.0000
54 R A -1.5673
55 C A 0.0000
56 T A -0.7418
57 Q A -1.5119
58 L A -1.0300
59 P A -1.1725
60 S A -1.6946
61 R A -2.9156
62 E A -2.8311
63 A A 0.0000
64 A A -1.0327
65 C A -0.5749
66 L A 0.6922
67 C A -0.0251
68 P A -0.1998
69 P A -0.4452
70 G A -1.0197
71 W A -0.9781
72 V A -0.6937
73 G A -0.7586
74 E A -1.7092
75 R A -1.4655
76 C A 0.0000
77 Q A -1.4336
78 L A -1.3538
79 E A -2.3079
80 D A -1.5730
81 P A -1.3476
82 C A -0.9171
83 H A -1.5427
84 S A -1.1427
85 G A -0.8672
86 P A -0.4142
87 C A -0.7560
88 A A -0.5570
89 G A -0.8319
90 R A -1.6632
91 G A -1.0579
92 V A 0.4961
93 C A -0.1362
94 Q A -0.4717
95 S A -0.3799
96 S A 0.0019
97 V A 0.7444
98 V A 1.5531
99 A A 0.6158
100 G A -0.1849
101 T A -0.0936
102 A A 0.0000
103 R A -1.3326
104 F A -0.4948
105 S A -0.7486
106 C A -0.8569
107 R A -1.6904
108 C A -1.1010
109 P A -1.2505
110 R A -1.7875
111 G A -0.4307
112 F A -0.3117
113 R A -0.7008
114 G A -0.5948
115 P A -0.7845
116 D A -0.8648
117 C A 0.0000
118 S A -0.2975
119 L A 0.4397
120 P A -0.0882
121 D A -0.2480
122 P A 0.1076
123 C A 0.1772
124 L A 0.5301
125 S A 0.1551
126 S A -0.1654
127 P A -0.4093
128 C A -1.1636
129 A A -1.5163
130 H A -1.7860
131 G A -1.3167
132 A A -1.5711
133 R A -1.8441
134 C A -0.4274
135 S A -0.1676
136 V A 0.0644
137 G A -0.5830
138 P A -1.1665
139 D A -2.1355
140 G A -1.3140
141 R A -1.4798
142 F A -0.4653
143 L A -0.0865
144 C A -0.7477
145 S A -0.8760
146 C A -1.3318
147 P A -0.8275
148 P A -0.5769
149 G A -0.8763
150 Y A -1.8496
151 Q A -2.4384
152 G A -2.4726
153 R A -2.4302
154 S A 0.0000
155 C A 0.0000
156 R A -2.9664
157 S A -2.3259
158 D A -1.9668
159 V A -1.1200
160 D A -1.0328
161 E A -1.3433
162 C A -1.3746
163 R A -1.7337
164 V A 0.1176
165 G A -1.0935
166 E A -2.2643
167 P A -1.7027
168 C A 0.0000
169 R A -2.6678
170 H A -2.0043
171 G A -1.6329
172 G A 0.0000
173 T A -1.1814
174 C A -1.3382
175 L A -0.5189
176 N A -0.9929
177 T A 0.0000
178 P A -0.9390
179 G A -1.0922
180 S A -0.7613
181 F A -0.8550
182 R A -1.8048
183 C A -1.5494
184 Q A -1.4818
185 C A -1.2172
186 P A -0.5859
187 A A 0.1548
188 G A 0.0891
189 Y A -0.4066
190 T A -0.7101
191 G A -0.9723
192 P A -1.0913
193 L A -1.3024
194 C A 0.0000
195 E A -1.8113
196 N A -1.6288
197 P A -0.4277
198 A A 0.3226
199 V A 1.0149
200 P A -0.1191
201 C A -0.2712
202 A A 0.2520
203 P A 0.0076
204 S A -0.7148
205 P A -1.1583
206 C A -2.1090
207 R A -2.7498
208 N A -1.4848
209 G A -1.1076
210 G A -1.4277
211 T A -1.1288
212 C A -1.8692
213 R A -2.9758
214 Q A -2.4704
215 S A -1.8228
216 G A -1.3172
217 D A -1.2131
218 L A 0.5567
219 T A -0.6294
220 Y A -1.7225
221 D A -2.8650
222 C A 0.0000
223 A A -0.9443
224 C A -0.8144
225 L A 0.1954
226 P A -0.0511
227 G A -0.3604
228 F A -1.1050
229 E A -2.1981
230 G A -2.0812
231 Q A -2.4845
232 N A -2.4094
233 C A 0.0000
234 E A -2.5373
235 V A -1.0490
236 N A -0.8259
237 V A -0.9955
238 D A -1.6889
239 D A -1.6413
240 C A -1.5738
241 P A -1.3246
242 G A -1.3154
243 H A -1.6546
244 R A -2.1708
245 C A 0.0000
246 L A -0.1854
247 N A -0.9646
248 G A -0.6704
249 G A -0.8919
250 T A -0.6974
251 C A -0.8849
252 V A -0.4437
253 D A -1.0587
254 G A -0.3356
255 V A 0.6865
256 N A -0.8143
257 T A -0.7348
258 Y A -1.3039
259 N A -1.7976
260 C A -1.3696
261 Q A -1.3895
262 C A -1.1136
263 P A -0.6480
264 P A -0.7679
265 E A -1.1282
266 W A -1.1509
267 T A -1.4436
268 G A -1.3939
269 Q A -1.8660
270 F A -1.3885
271 C A 0.0000
272 T A -1.2487
273 E A -2.0757
274 D A -1.3959
275 V A -0.8969
276 D A -0.9083
277 E A -1.0345
278 C A -0.7474
279 Q A -1.0671
280 L A -0.0056
281 Q A -1.4517
282 P A -1.4773
283 N A -2.1307
284 A A -1.4527
285 C A 0.0000
286 H A -2.0026
287 N A -1.5273
288 G A -1.1715
289 G A -0.5446
290 T A 0.2135
291 C A 0.1734
292 F A 1.3788
293 N A 0.0428
294 T A 0.4255
295 L A 0.7341
296 G A -0.4103
297 G A -0.1810
298 H A -0.3041
299 S A -0.1601
300 C A 0.0380
301 V A 0.3995
302 C A -0.5081
303 V A 0.1856
304 N A -0.1267
305 G A 0.0000
306 W A -0.4238
307 T A -1.1552
308 G A -1.4632
309 E A -2.2081
310 S A -1.6800
311 C A 0.0000
312 S A -1.5807
313 Q A -1.8852
314 N A -1.1414
315 I A -0.5681
316 D A -1.6701
317 D A -0.8733
318 C A -0.4502
319 A A -0.1931
320 T A 0.2232
321 A A 0.8657
322 V A 2.0514
323 C A 1.7434
324 F A 1.1817
325 H A -0.7125
326 G A -0.4400
327 A A 0.2767
328 T A 0.1933
329 C A 0.1998
330 H A -1.0050
331 D A -1.6293
332 R A -1.5104
333 V A 0.2617
334 A A -0.1124
335 S A -0.4135
336 F A 0.2119
337 Y A 0.8899
338 C A 0.0000
339 A A 0.6129
340 C A 0.6030
341 P A 0.1937
342 M A 0.8503
343 G A -0.0529
344 K A -0.8448
345 T A -0.7558
346 G A 0.2997
347 L A 2.0835
348 L A 1.9526
349 C A 0.0000
350 H A -0.0888
351 L A -1.1191
352 D A -2.2809
353 D A -1.6233
354 A A -1.3199
355 C A -0.4469
356 V A 0.6059
357 S A -0.1179
358 N A -1.0206
359 P A -1.0695
360 C A -1.3157
361 H A -2.1690
362 E A -2.8662
363 D A -2.2085
364 A A -0.8695
365 I A 0.9614
366 C A -0.1982
367 D A -1.1287
368 T A 0.0000
369 N A -1.1303
370 P A -0.5612
371 V A -0.1261
372 N A -1.6499
373 G A -1.9962
374 R A -2.5492
375 A A -1.1590
376 I A -0.0505
377 C A -0.2434
378 T A 0.3118
379 C A -0.2902
380 P A -0.3274
381 P A -0.5516
382 G A -0.7559
383 F A -1.4793
384 T A -1.2310
385 G A -1.4047
386 G A -0.9590
387 A A -1.2999
388 C A 0.0000
389 D A -2.9463
390 Q A -2.6237
391 D A -2.0521
392 V A -0.9507
393 D A -0.8403
394 E A -0.1576
395 C A -0.1291
396 S A 0.1608
397 I A 1.2562
398 G A 0.1368
399 A A -0.4766
400 N A -1.5074
401 P A -1.1597
402 C A 0.0000
403 E A -2.6197
404 H A -1.7385
405 L A -0.1449
406 G A 0.0000
407 R A -2.1518
408 C A 0.0000
409 V A 0.1702
410 N A -0.3896
411 T A -0.4354
412 Q A -1.7043
413 G A -1.4565
414 S A -0.2887
415 F A 0.3758
416 L A 0.6664
417 C A -0.9728
418 Q A -1.5163
419 C A -1.6788
420 G A -1.3190
421 R A -1.9045
422 G A 0.0000
423 Y A -1.1638
424 T A -1.4611
425 G A -1.3665
426 P A -1.1214
427 R A -2.4208
428 C A 0.0000
429 E A -2.4772
430 T A -1.6312
431 D A -1.6557
432 V A -0.6665
433 N A -0.7490
434 E A -0.7028
435 C A -0.2403
436 L A 0.9876
437 S A 0.1906
438 G A -0.5745
439 P A -0.5131
440 C A -0.8876
441 R A -2.5373
442 N A -1.9645
443 Q A -1.7806
444 A A -0.5571
445 T A 0.0709
446 C A -0.0059
447 L A -0.3980
448 D A -1.9359
449 R A -2.0160
450 I A -0.1786
451 G A 0.0000
452 Q A -1.6851
453 F A -0.8804
454 T A -0.1774
455 C A 0.5349
456 I A 1.9917
457 C A 0.7236
458 M A 0.1880
459 A A 0.2403
460 G A -0.6931
461 F A -0.4120
462 T A -0.1970
463 G A -0.2543
464 T A -0.0042
465 C A -0.3338
466 C A 0.0000
467 E A -1.4604
468 V A -0.4947
469 D A -1.8909
470 I A -1.5216
471 D A -2.8151
472 E A -2.8080
473 C A -2.0540
474 Q A -2.1186
475 S A -1.2580
476 S A -0.4663
477 P A -0.1625
478 C A 0.2738
479 V A 0.5291
480 N A -0.7389
481 G A -0.2559
482 G A 0.3615
483 V A 1.2238
484 C A -0.5178
485 K A -2.2530
486 D A -3.5336
487 R A -2.8537
488 V A -0.6052
489 N A -1.4938
490 G A -1.4514
491 F A -1.5577
492 S A -0.8164
493 C A 0.1828
494 T A 0.3637
495 C A 0.3718
496 P A -0.2828
497 S A -0.8885
498 G A 0.0000
499 F A -0.9389
500 S A -0.5554
501 G A -0.5022
502 S A -0.2310
503 T A 0.0495
504 C A 0.0000
505 Q A -0.9771
506 L A -0.2991
507 D A -2.3899
508 V A -1.6219
509 D A -2.4953
510 E A -2.1754
511 C A -1.4256
512 A A -0.7820
513 S A -0.5501
514 T A -0.8337
515 P A -0.7692
516 C A 0.0000
517 R A -3.2984
518 N A -3.0937
519 G A -2.4339
520 A A -2.9167
521 K A -3.0057
522 C A -2.2389
523 V A -1.9138
524 D A -3.2157
525 Q A -3.0476
526 P A -2.5504
527 D A -2.8335
528 G A -2.1066
529 Y A -1.9941
530 E A -2.4637
531 C A -2.3401
532 R A -2.8606
533 C A -2.8750
534 A A -1.9814
535 E A -1.7817
536 G A -1.1765
537 F A -2.4928
538 E A -2.9113
539 G A -2.0038
540 T A -1.4028
541 L A -1.7798
542 C A 0.0000
543 D A -3.7186
544 R A -3.8368
545 N A -2.7809
546 V A -1.8992
547 D A -2.5680
548 D A -1.6942
549 C A -1.9422
550 S A -1.6998
551 P A -1.5560
552 D A -2.7921
553 P A -1.9229
554 C A 0.0000
555 H A -2.5648
556 H A -2.0037
557 G A -1.8872
558 R A -2.3781
559 C A -1.5420
560 V A -0.7423
561 D A -1.8224
562 G A -0.1752
563 I A 0.8916
564 A A -0.2308
565 S A -0.0989
566 F A -0.3128
567 S A -0.4939
568 C A -1.1065
569 A A -0.5050
570 C A -0.9392
571 A A -0.5819
572 P A -0.4238
573 G A -0.8422
574 Y A -1.1008
575 T A -1.0535
576 G A -1.2197
577 T A -1.0703
578 R A -2.4509
579 C A 0.0000
580 E A -2.8096
581 S A -1.9255
582 Q A -1.6251
583 V A -1.5567
584 D A -2.5489
585 E A -2.2977
586 C A -2.2767
587 R A -2.9526
588 S A -1.9328
589 Q A -2.6676
590 P A -1.3982
591 C A -1.7129
592 R A -2.7991
593 H A -1.7111
594 G A -1.9541
595 G A -2.1857
596 K A -2.7468
597 C A -1.6874
598 L A -0.7869
599 D A -1.7602
600 L A -0.2539
601 V A -0.0066
602 D A -2.0999
603 K A -1.8262
604 Y A -0.2971
605 L A 0.6357
606 C A -0.7793
607 R A -2.0057
608 C A -1.1952
609 P A -1.2925
610 S A -0.5388
611 G A -0.7913
612 T A 0.0000
613 T A 0.0089
614 G A 0.2247
615 V A 1.4286
616 N A -0.4257
617 C A 0.0000
618 E A -0.6583
619 V A 0.4537
620 N A -0.8373
621 I A -0.3512
622 D A -2.3399
623 D A -2.9806
624 C A 0.0000
625 A A -1.1327
626 S A -1.2343
627 N A -1.3115
628 P A -0.5027
629 C A -0.1480
630 T A 0.3130
631 F A 0.8504
632 G A 0.4592
633 V A 1.0542
634 C A -0.7505
635 R A -2.7399
636 D A -2.7418
637 G A -2.1369
638 I A -0.7376
639 N A -2.1424
640 R A -3.0487
641 Y A -2.7799
642 D A -2.3635
643 C A 0.0000
644 V A 0.3601
645 C A 0.2140
646 Q A -1.1912
647 P A -1.5058
648 G A -1.7791
649 F A -0.7631
650 T A 0.0149
651 G A 0.2025
652 P A -0.1828
653 L A 0.4038
654 C A 0.0000
655 N A -0.4856
656 V A 0.4648
657 E A -1.5393
658 I A -0.9656
659 N A -1.8175
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1998 R A -1.4740
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2246 T A 0.8510
2247 P A -0.0891
2248 S A -0.9408
2249 P A -1.3993
2250 E A -2.3813
2251 S A -1.6724
2252 P A -1.9926
2253 E A -2.4151
2254 H A -1.3129
2255 W A 0.1668
2256 A A -0.0226
2257 S A -0.1875
2258 P A -0.3990
2259 S A -0.5692
2260 P A -0.6239
2261 P A -0.2858
2262 S A 0.1335
2263 L A 0.9851
2264 S A -0.1350
2265 D A -1.1860
2266 W A -0.1230
2267 S A -1.0316
2268 E A -1.9472
2269 S A -1.2626
2270 T A -0.7443
2271 P A -0.4979
2272 S A -0.4665
2273 P A -0.4069
2274 A A -0.1385
2275 T A -0.0809
2276 A A -0.0958
2277 T A -0.2766
2278 G A -0.2489
2279 A A 0.3439
2280 M A 1.0018
2281 A A 0.5596
2282 T A 0.1502
2283 T A -0.2329
2284 T A -0.3537
2285 G A -0.1495
2286 A A 0.6241
2287 L A 1.3584
2288 P A 0.3165
2289 A A -0.4960
2290 Q A -1.0272
2291 P A -0.1057
2292 L A 1.3619
2293 P A 1.2384
2294 L A 1.9849
2295 S A 1.3759
2296 V A 1.8065
2297 P A 0.4012
2298 S A 0.2411
2299 S A 0.4978
2300 L A 1.1516
2301 A A 0.1126
2302 Q A -1.0597
2303 A A -1.1962
2304 Q A -1.7154
2305 T A -0.9752
2306 Q A -0.8076
2307 L A 0.6394
2308 G A -0.3553
2309 P A -0.8290
2310 Q A -1.9719
2311 P A -1.4236
2312 E A -1.3276
2313 V A 0.7065
2314 T A -0.0562
2315 P A -1.2694
2316 K A -2.8319
2317 R A -2.8729
2318 Q A -1.2131
2319 V A 1.2544
2320 L A 2.1598
2321 A A 1.2071
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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 -0.0729 7.35 View CSV PDB
4.5 -0.1574 7.35 View CSV PDB
5.0 -0.259 7.35 View CSV PDB
5.5 -0.3637 7.35 View CSV PDB
6.0 -0.4591 7.35 View CSV PDB
6.5 -0.5377 7.35 View CSV PDB
7.0 -0.5995 7.35 View CSV PDB
7.5 -0.6499 7.35 View CSV PDB
8.0 -0.6924 7.35 View CSV PDB
8.5 -0.7253 7.35 View CSV PDB
9.0 -0.7447 7.35 View CSV PDB