Project name: E1492K_10

Status: done

Started: 2026-06-12 13:50:50
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEKCGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:39)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/20e2db5a4c73175/tmp/folded.pdb                (00:31:39)
[INFO]       Main:     Simulation completed successfully.                                          (01:22:43)
Show buried residues

Minimal score value
-4.6971
Maximal score value
5.6484
Average score
-0.7478
Total score value
-1735.5302

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 0.7192
2 G A -0.1832
3 P A -0.6996
4 G A -1.1110
5 A A -1.4920
6 R A -2.8226
7 G A -2.9140
8 R A -3.8847
9 R A -4.4637
10 R A -4.5017
11 R A -4.5975
12 R A -4.1490
13 R A -3.0292
14 P A -1.1153
15 M A 0.0645
16 S A -0.1729
17 P A -0.3748
18 P A -0.5172
19 P A -0.6840
20 P A -0.6891
21 P A -0.4063
22 P A -0.3462
23 P A -0.1011
24 V A 0.8697
25 R A -0.6434
26 A A 0.5096
27 L A 1.8023
28 P A 1.7218
29 L A 3.2959
30 L A 3.8747
31 L A 3.9480
32 L A 3.7187
33 L A 2.8264
34 A A 1.1676
35 G A -0.0032
36 P A -0.4381
37 G A -0.6601
38 A A -0.2776
39 A A -0.1247
40 A A 0.0104
41 P A -0.6141
42 P A -0.9293
43 C A -0.6652
44 L A 0.4268
45 D A -1.3330
46 G A -0.9968
47 S A -1.1539
48 P A -1.2401
49 C A -1.6176
50 A A -1.5466
51 N A -1.7303
52 G A -1.3255
53 G A 0.0000
54 R A -1.7140
55 C A 0.0000
56 T A -0.5315
57 Q A -1.1858
58 L A -0.8675
59 P A -1.0900
60 S A -1.6401
61 R A -2.8513
62 E A -2.7558
63 A A -1.8340
64 A A -1.2156
65 C A -0.9346
66 L A 0.4673
67 C A -0.2374
68 P A -0.1664
69 P A -0.4178
70 G A -0.9740
71 W A -1.0439
72 V A -0.7119
73 G A -1.1696
74 E A -2.3166
75 R A -2.7306
76 C A 0.0000
77 Q A -1.9237
78 L A -1.5890
79 E A -2.2931
80 D A -1.5621
81 P A -1.3317
82 C A -0.9128
83 H A -1.5261
84 S A -1.1448
85 G A -0.8669
86 P A -0.5702
87 C A -0.7408
88 A A -0.5347
89 G A -0.8828
90 R A -1.6398
91 G A -1.0378
92 V A 0.5001
93 C A -0.1622
94 Q A -0.5495
95 S A -0.3928
96 S A 0.0077
97 V A 0.8015
98 V A 1.6307
99 A A 0.6536
100 G A -0.1658
101 T A -0.1859
102 A A 0.0000
103 R A -1.3508
104 F A -0.4729
105 S A -0.7245
106 C A -0.8530
107 R A -1.6797
108 C A -1.0727
109 P A -1.2414
110 R A -1.8226
111 G A -0.4928
112 F A -0.3311
113 R A -0.7130
114 G A -0.5764
115 P A -0.7634
116 D A -0.7999
117 C A 0.0000
118 S A -0.3177
119 L A 0.3674
120 P A -0.2485
121 D A -0.4420
122 P A -0.0475
123 C A 0.1959
124 L A 0.3433
125 S A 0.0765
126 S A -0.2214
127 P A -0.3882
128 C A -1.0972
129 A A -1.5179
130 H A -1.7056
131 G A -1.2968
132 A A -1.5313
133 R A -1.7921
134 C A -0.3765
135 S A -0.0055
136 V A 0.1164
137 G A -0.6086
138 P A -1.1980
139 D A -2.2417
140 G A -1.5158
141 R A -1.9067
142 F A -0.4525
143 L A 0.2256
144 C A -0.6537
145 S A -0.8791
146 C A -1.2888
147 P A -0.8182
148 P A -0.5013
149 G A -0.9817
150 Y A -1.8382
151 Q A -2.4420
152 G A -2.4656
153 R A -2.3533
154 S A -1.8745
155 C A 0.0000
156 R A -2.9223
157 S A -2.2934
158 D A -2.0047
159 V A -1.3833
160 D A -1.5238
161 E A -1.7129
162 C A -1.6164
163 R A -1.9095
164 V A 0.0316
165 G A -1.0852
166 E A -2.4113
167 P A -1.7509
168 C A 0.0000
169 R A -2.9865
170 H A -2.2336
171 G A -1.7554
172 G A -1.7828
173 T A -1.2807
174 C A -1.4750
175 L A -0.5351
176 N A -1.5266
177 T A -0.9902
178 P A -1.0855
179 G A -1.2054
180 S A -0.9763
181 F A -1.1624
182 R A -1.9551
183 C A -1.6685
184 Q A -1.3545
185 C A -1.3651
186 P A -0.7034
187 A A 0.0268
188 G A 0.0752
189 Y A -0.6889
190 T A -0.8097
191 G A -1.1897
192 P A -1.1672
193 L A -1.5010
194 C A 0.0000
195 E A -1.9389
196 N A -1.6052
197 P A -0.6319
198 A A 0.1517
199 V A 0.7338
200 P A -0.1508
201 C A -0.3125
202 A A -0.0152
203 P A -0.0897
204 S A -0.8062
205 P A -1.0517
206 C A 0.0000
207 R A -2.5450
208 N A -1.9149
209 G A -1.6772
210 G A -1.7468
211 T A -1.4832
212 C A 0.0000
213 R A -2.8558
214 Q A -2.3502
215 S A -1.6554
216 G A -1.3222
217 D A -1.1493
218 L A 0.6690
219 T A -0.4465
220 Y A -1.4220
221 D A -2.2952
222 C A 0.0000
223 A A -1.0055
224 C A 0.0000
225 L A -0.6025
226 P A -0.2940
227 G A -0.5710
228 F A -0.6350
229 E A -0.8267
230 G A 0.0000
231 Q A -1.2589
232 N A -1.4964
233 C A 0.0000
234 E A -1.1478
235 V A -0.1746
236 N A -0.5074
237 V A -0.7740
238 D A -1.7719
239 D A -1.6652
240 C A -1.4251
241 P A -1.3318
242 G A -1.2975
243 H A -1.5669
244 R A -2.0812
245 C A 0.0000
246 L A 0.1061
247 N A -0.8309
248 G A -0.6298
249 G A -0.7963
250 T A -0.6338
251 C A -0.7704
252 V A -0.2736
253 D A -1.0573
254 G A -0.4189
255 V A 0.5081
256 N A -0.9702
257 T A -0.8079
258 Y A -1.3367
259 N A -1.8079
260 C A -1.2944
261 Q A -1.3679
262 C A -1.1371
263 P A -0.6731
264 P A -0.8733
265 E A -1.3817
266 W A -1.2213
267 T A -1.5311
268 G A -1.5132
269 Q A -1.8717
270 F A -1.2841
271 C A 0.0000
272 T A -1.1798
273 E A -2.1117
274 D A -1.5101
275 V A -1.2326
276 D A -1.6858
277 E A -1.3828
278 C A -1.0694
279 Q A -1.3076
280 L A -0.1545
281 Q A -1.5430
282 P A -1.6508
283 N A -2.1201
284 A A -1.4842
285 C A 0.0000
286 H A -1.9577
287 N A -1.5144
288 G A -1.0223
289 G A -0.4220
290 T A 0.3105
291 C A -0.0189
292 F A 0.9071
293 N A -0.4472
294 T A 0.1731
295 L A 0.6277
296 G A -0.5179
297 G A -0.3924
298 H A -0.6469
299 S A -0.2293
300 C A 0.1523
301 V A 1.0539
302 C A 0.0669
303 V A 0.3194
304 N A 0.2147
305 G A 0.0000
306 W A -0.4155
307 T A -0.8436
308 G A -1.3839
309 E A -2.1321
310 S A -1.5882
311 C A 0.0000
312 S A -1.5725
313 Q A -1.7668
314 N A -1.2165
315 I A -0.5928
316 D A -1.7818
317 D A -0.9520
318 C A -0.4533
319 A A -0.1846
320 T A 0.1847
321 A A 0.8638
322 V A 1.9731
323 C A 1.6662
324 F A 0.9905
325 H A -0.8143
326 G A -0.5002
327 A A 0.2586
328 T A 0.2102
329 C A 0.2235
330 H A -0.9080
331 D A -1.5836
332 R A -1.6221
333 V A -0.1419
334 A A -0.2142
335 S A -0.4496
336 F A 0.2252
337 Y A 1.1687
338 C A 0.0000
339 A A 0.6822
340 C A 0.6160
341 P A 0.1909
342 M A 0.7953
343 G A -0.2083
344 K A -0.7950
345 T A -0.5291
346 G A 0.6077
347 L A 1.9959
348 L A 1.8239
349 C A 0.0000
350 H A -0.2346
351 L A -1.1426
352 D A -2.4875
353 D A -1.7814
354 A A -1.4184
355 C A -0.6082
356 V A 0.3588
357 S A -0.3513
358 N A -1.1753
359 P A -1.0826
360 C A -1.2595
361 H A -2.1710
362 E A -2.8584
363 D A -2.2094
364 A A -0.8167
365 I A 1.0369
366 C A -0.1240
367 D A -1.2089
368 T A 0.0000
369 N A -1.1057
370 P A -0.3246
371 V A 0.7756
372 N A -1.0737
373 G A -1.8190
374 R A -2.2991
375 A A -1.2106
376 I A 0.3358
377 C A -0.0417
378 T A 0.4242
379 C A -0.2763
380 P A -0.3656
381 P A -0.4405
382 G A -0.7045
383 F A -1.4345
384 T A -1.2030
385 G A -1.3822
386 G A -0.8776
387 A A -1.2329
388 C A 0.0000
389 D A -2.9202
390 Q A -2.5871
391 D A -1.9873
392 V A -0.8376
393 D A -0.8342
394 E A -0.1637
395 C A -0.1536
396 S A 0.1566
397 I A 1.2684
398 G A 0.2034
399 A A -0.4324
400 N A -1.4098
401 P A -1.0738
402 C A 0.0000
403 E A -2.4182
404 H A -1.4721
405 L A -0.1170
406 G A 0.0000
407 R A -2.1336
408 C A 0.0000
409 V A 0.1417
410 N A -0.4210
411 T A -0.4271
412 Q A -1.6863
413 G A -1.4190
414 S A -0.2495
415 F A 0.3814
416 L A 0.6575
417 C A -0.9385
418 Q A -1.5282
419 C A -1.7968
420 G A -1.3609
421 R A -1.9356
422 G A -1.2601
423 Y A -1.2461
424 T A -1.4724
425 G A -1.3114
426 P A -1.0632
427 R A -2.2802
428 C A 0.0000
429 E A -2.3285
430 T A -1.5758
431 D A -1.6073
432 V A -0.8463
433 N A -0.8141
434 E A -0.9777
435 C A -0.1960
436 L A 0.9090
437 S A 0.0616
438 G A -0.5681
439 P A -0.3979
440 C A -0.7547
441 R A -2.3431
442 N A -1.9612
443 Q A -1.8102
444 A A -0.3848
445 T A 0.3381
446 C A 0.3805
447 L A 0.2513
448 D A -0.9998
449 R A -1.5785
450 I A -0.1547
451 G A 0.0000
452 Q A -1.5246
453 F A -0.5496
454 T A 0.1944
455 C A 0.9553
456 I A 2.1926
457 C A 0.7359
458 M A 0.3136
459 A A 0.3966
460 G A -0.8592
461 F A -0.2608
462 T A -0.0185
463 G A 0.0303
464 T A 0.3360
465 Y A 0.3509
466 C A 0.0000
467 E A -1.0797
468 V A -0.3335
469 D A -1.8978
470 I A -1.6337
471 D A -3.3589
472 E A -3.1669
473 C A -2.2966
474 Q A -2.3059
475 S A -1.3718
476 S A -0.5421
477 P A -0.1772
478 C A 0.2850
479 V A 0.5564
480 N A -0.7712
481 G A -0.2708
482 G A 0.3559
483 V A 1.2213
484 C A -0.6038
485 K A -2.3603
486 D A -3.7339
487 R A -2.9777
488 V A -0.6881
489 N A -1.5393
490 G A -1.5722
491 F A -1.7361
492 S A -0.8592
493 C A 0.1760
494 T A 0.3560
495 C A 0.3562
496 P A -0.3248
497 S A -0.9521
498 G A -1.9395
499 F A -1.1882
500 S A -0.6388
501 G A -0.5186
502 S A -0.1993
503 T A 0.0486
504 C A 0.0000
505 Q A -0.9922
506 L A -0.3633
507 D A -2.5474
508 V A -1.9628
509 D A -2.9267
510 E A -2.7865
511 C A -1.7860
512 A A -1.0034
513 S A -0.7165
514 T A -0.9679
515 P A -0.8942
516 C A 0.0000
517 R A -2.6980
518 N A -2.6614
519 G A -2.2278
520 A A -2.8365
521 K A -3.0228
522 C A -2.4519
523 V A -2.2561
524 D A -3.3745
525 Q A -2.8756
526 P A -2.5080
527 D A -2.8861
528 G A -2.2623
529 Y A -2.3154
530 E A -2.7544
531 C A -2.6408
532 R A -3.1047
533 C A -2.9649
534 A A -2.0297
535 E A -1.8154
536 G A 0.0000
537 F A -2.2459
538 E A -3.1700
539 G A -1.9452
540 T A -1.3676
541 L A -1.6280
542 C A 0.0000
543 D A -2.4537
544 R A -3.2029
545 N A -2.0522
546 V A -1.5515
547 D A -2.2152
548 D A -1.3105
549 C A -1.5696
550 S A -1.6441
551 P A -1.5912
552 D A -2.6572
553 P A -1.9356
554 C A 0.0000
555 H A -2.5445
556 H A -1.9881
557 G A -1.7713
558 R A -2.1040
559 C A 0.0000
560 V A 0.4692
561 D A -0.5378
562 G A 0.5150
563 I A 1.2273
564 A A 0.0500
565 S A 0.2342
566 F A 0.1885
567 S A -0.0370
568 C A -0.7835
569 A A -0.3562
570 C A -0.9720
571 A A -0.8538
572 P A -0.4849
573 G A -0.9730
574 Y A -1.1715
575 T A -1.1026
576 G A -1.2381
577 T A -0.9904
578 R A -2.3017
579 C A 0.0000
580 E A -2.5838
581 S A -1.8287
582 Q A -1.6144
583 V A -1.6520
584 D A -2.7058
585 E A -2.6557
586 C A 0.0000
587 R A -3.1229
588 S A -2.0787
589 Q A -2.8637
590 P A -1.6581
591 C A 0.0000
592 R A -2.8213
593 H A -1.7071
594 G A -1.9844
595 G A -2.2410
596 K A -2.8257
597 C A 0.0000
598 L A -0.8831
599 D A -1.8838
600 L A -0.2644
601 V A -0.0450
602 D A -2.1651
603 K A -1.8858
604 Y A -0.5068
605 L A 0.5008
606 C A -0.9807
607 R A -2.0564
608 C A -1.3405
609 P A -1.2923
610 S A -0.5747
611 G A -0.7121
612 T A 0.0000
613 T A 0.0426
614 G A 0.3708
615 V A 1.4044
616 N A -0.4765
617 C A 0.0000
618 E A -0.5963
619 V A 0.5767
620 N A -0.7542
621 I A -0.3683
622 D A -2.1995
623 D A -2.7028
624 C A 0.0000
625 A A -1.0992
626 S A -1.2005
627 N A -1.2705
628 P A -0.3527
629 C A 0.2190
630 T A 0.6036
631 F A 1.4102
632 G A 0.8681
633 V A 1.3386
634 C A -0.4391
635 R A -2.3641
636 D A -2.2575
637 G A -1.8447
638 I A -0.6089
639 N A -2.0342
640 R A -2.8067
641 Y A -2.4571
642 D A -1.7414
643 C A -0.2208
644 V A 0.6024
645 C A 0.4948
646 Q A -0.6777
647 P A -1.3302
648 G A 0.0000
649 F A -0.5863
650 T A 0.1417
651 G A 0.2738
652 P A -0.0413
653 L A 0.7081
654 C A 0.0000
655 N A -0.2981
656 V A 0.5257
657 E A -1.4658
658 I A -1.0699
659 N A -1.8416
660 E A -1.7683
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1998 R A -1.5488
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2247 P A 0.0091
2248 S A -0.7143
2249 P A -1.3793
2250 E A -2.1648
2251 S A -1.7956
2252 P A -1.8896
2253 E A -2.2830
2254 H A -1.4754
2255 W A 0.2502
2256 A A 0.2965
2257 S A -0.2038
2258 P A -0.4154
2259 S A -0.5988
2260 P A -0.4243
2261 P A -0.1676
2262 S A 0.0069
2263 L A 0.9095
2264 S A -0.1028
2265 D A -1.1838
2266 W A -0.0925
2267 S A -1.0985
2268 E A -2.0114
2269 S A -1.1811
2270 T A -0.7730
2271 P A -0.6847
2272 S A -0.4732
2273 P A -0.4030
2274 A A -0.1655
2275 T A -0.0879
2276 A A -0.1100
2277 T A -0.2812
2278 G A -0.2339
2279 A A 0.4133
2280 M A 1.0016
2281 A A 0.5544
2282 T A 0.1073
2283 T A -0.2359
2284 T A -0.2170
2285 G A -0.1400
2286 A A 0.6013
2287 L A 1.3470
2288 P A 0.3169
2289 A A -0.4890
2290 Q A -1.0262
2291 P A -0.0338
2292 L A 1.3562
2293 P A 1.2401
2294 L A 1.9818
2295 S A 1.3705
2296 V A 1.8063
2297 P A 0.4052
2298 S A 0.2464
2299 S A 0.4968
2300 L A 1.1522
2301 A A 0.1134
2302 Q A -1.0671
2303 A A -1.1951
2304 Q A -1.7122
2305 T A -0.8885
2306 Q A -0.7108
2307 L A 0.5755
2308 G A -0.3808
2309 P A -0.8352
2310 Q A -1.9824
2311 P A -1.4135
2312 E A -1.3560
2313 V A 0.7187
2314 T A -0.0607
2315 P A -1.4489
2316 K A -2.8274
2317 R A -2.7193
2318 Q A -1.3104
2319 V A 1.3082
2320 L A 1.9862
2321 A A 1.2155
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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 -0.0697 6.5597 View CSV PDB
4.5 -0.1535 6.5597 View CSV PDB
5.0 -0.2544 6.5597 View CSV PDB
5.5 -0.3586 6.5597 View CSV PDB
6.0 -0.4539 6.5597 View CSV PDB
6.5 -0.533 6.5597 View CSV PDB
7.0 -0.5952 6.5597 View CSV PDB
7.5 -0.6455 6.5597 View CSV PDB
8.0 -0.6872 6.5597 View CSV PDB
8.5 -0.7191 6.5597 View CSV PDB
9.0 -0.7375 6.5597 View CSV PDB