Project name: C988Y

Status: done

Started: 2026-05-12 07:16:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTYLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:18:07)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/8b54128000976e7/tmp/folded.pdb                (00:18:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:03)
Show buried residues

Minimal score value
-4.6907
Maximal score value
6.0157
Average score
-0.7638
Total score value
-1772.837

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 0.7653
2 G A -0.1623
3 P A -0.4559
4 G A -1.0842
5 A A -1.3290
6 R A -2.5255
7 G A -2.6395
8 R A -3.8512
9 R A -4.2124
10 R A -4.4646
11 R A -4.4532
12 R A -4.0194
13 R A -3.0773
14 P A -1.0858
15 M A 0.1201
16 S A 0.0293
17 P A -0.3710
18 P A -0.5207
19 P A -0.6692
20 P A -0.6726
21 P A -0.4084
22 P A -0.3340
23 P A -0.0607
24 V A 0.8812
25 R A -0.6433
26 A A 0.5076
27 L A 1.8120
28 P A 1.6472
29 L A 3.2092
30 L A 3.8534
31 L A 3.8127
32 L A 3.7035
33 L A 2.7864
34 A A 1.1323
35 G A -0.0557
36 P A -0.4285
37 G A -0.6702
38 A A -0.2944
39 A A -0.3223
40 A A -0.3774
41 P A -1.0416
42 P A -0.8477
43 C A -0.7403
44 L A 0.2312
45 D A -1.3116
46 G A -0.8884
47 S A -0.6371
48 P A -0.8387
49 C A -1.3220
50 A A -1.4251
51 N A -1.7907
52 G A -1.3813
53 G A -1.4245
54 R A -1.7387
55 C A -0.2546
56 T A -0.8148
57 Q A -1.8614
58 L A -1.3108
59 P A -1.3649
60 S A -1.7646
61 R A -2.9588
62 E A -2.5048
63 A A 0.0000
64 A A -1.0114
65 C A 0.0000
66 L A -0.1734
67 C A -0.5118
68 P A -0.4058
69 P A -0.5263
70 G A -0.9779
71 W A -0.9874
72 V A -0.9823
73 G A -1.0971
74 E A -2.0989
75 R A -1.9440
76 C A 0.0000
77 Q A -2.2064
78 L A -1.5504
79 E A -2.4313
80 D A -1.6813
81 P A -1.3973
82 C A -0.9939
83 H A -1.5289
84 S A -1.1343
85 G A -0.8632
86 P A -0.4285
87 C A -0.8302
88 A A -0.5933
89 G A -1.1040
90 R A -1.8806
91 G A -1.1134
92 V A 0.4445
93 C A -0.2760
94 Q A -0.8184
95 S A -0.3462
96 S A -0.0291
97 V A 0.7898
98 V A 1.6266
99 A A 0.6540
100 G A -0.2419
101 T A -0.2519
102 A A 0.0000
103 R A -1.4446
104 F A -0.6984
105 S A -0.8844
106 C A -0.9890
107 R A -1.7536
108 C A -1.0976
109 P A -1.2795
110 R A -2.0606
111 G A -0.5526
112 F A -0.3138
113 R A -0.6957
114 G A -0.5606
115 P A -0.8143
116 D A -0.9136
117 C A 0.0000
118 S A -0.3033
119 L A 0.5154
120 P A -0.1779
121 D A -0.4303
122 P A -0.1716
123 C A 0.0145
124 L A 0.1260
125 S A -0.0407
126 S A -0.2971
127 P A -0.4982
128 C A -1.1679
129 A A -1.6013
130 H A -1.6415
131 G A -1.2557
132 A A 0.0000
133 R A -1.8568
134 C A -0.3465
135 S A -0.2156
136 V A -0.0435
137 G A -0.7822
138 P A -1.2812
139 D A -2.3327
140 G A -1.6251
141 R A -2.1050
142 F A -0.7649
143 L A -0.2353
144 C A -0.8422
145 S A -0.9714
146 C A -1.2897
147 P A -0.8004
148 P A -0.5046
149 G A -0.8135
150 Y A -1.7632
151 Q A -2.3555
152 G A -2.3705
153 R A -2.2646
154 S A -1.8627
155 C A 0.0000
156 R A -2.8691
157 S A -2.2060
158 D A -1.9078
159 V A -1.1494
160 D A -1.0584
161 E A -1.4543
162 C A -1.4697
163 R A -1.7258
164 V A 0.0529
165 G A -1.1440
166 E A -2.4331
167 P A -1.7455
168 C A 0.0000
169 R A -3.0270
170 H A -2.2161
171 G A -1.8131
172 G A -1.7695
173 T A -1.2367
174 C A -1.3920
175 L A -0.5198
176 N A -1.0759
177 T A -0.7530
178 P A -0.9465
179 G A -1.0778
180 S A -0.7979
181 F A -0.8893
182 R A -1.8383
183 C A -1.6045
184 Q A -1.5223
185 C A -1.3645
186 P A -0.6539
187 A A 0.1443
188 G A 0.1098
189 Y A -0.5044
190 T A -0.7900
191 G A -1.2599
192 P A -1.1905
193 L A -1.5528
194 C A 0.0000
195 E A -2.2209
196 N A -1.7363
197 P A -0.6056
198 A A 0.3144
199 V A 1.0391
200 P A 0.0000
201 C A -0.2268
202 A A 0.2844
203 P A 0.0109
204 S A -0.7134
205 P A -1.1719
206 C A 0.0000
207 R A -2.7937
208 N A -2.0616
209 G A -1.2121
210 G A -1.5484
211 T A -1.1698
212 C A -1.8059
213 R A -2.8673
214 Q A -2.3870
215 S A -1.7582
216 G A -1.2758
217 D A -1.2092
218 L A 0.5669
219 T A -0.5754
220 Y A -1.6219
221 D A -2.6280
222 C A 0.0000
223 A A -0.8748
224 C A -0.9543
225 L A 0.1005
226 P A -0.0422
227 G A -0.5992
228 F A -1.3165
229 E A -2.2537
230 G A -2.1569
231 Q A -2.4018
232 N A -2.4438
233 C A 0.0000
234 E A -2.5635
235 V A -1.4255
236 N A -1.3932
237 V A -1.0024
238 D A -1.9604
239 D A -1.9166
240 C A -1.5727
241 P A -1.3655
242 G A -1.3729
243 H A -1.6157
244 R A -2.0737
245 C A -0.9363
246 L A 0.0889
247 N A -0.8302
248 G A -0.5864
249 G A -0.7855
250 T A -0.5718
251 C A -0.7355
252 V A -0.1605
253 D A -0.8621
254 G A -0.2970
255 V A 0.5491
256 N A -0.8753
257 T A -0.7143
258 Y A -1.2888
259 N A -1.7591
260 C A -1.2290
261 Q A -1.3442
262 C A -1.1056
263 P A -0.7704
264 P A -0.7116
265 E A -1.1366
266 W A -1.0871
267 T A -1.2570
268 G A -1.1625
269 Q A -1.6613
270 F A -1.3024
271 C A 0.0000
272 T A -1.1827
273 E A -2.0350
274 D A -1.3638
275 V A -0.8563
276 D A -1.0302
277 E A -1.1850
278 C A -1.0484
279 Q A -1.2088
280 L A -0.0129
281 Q A -1.4661
282 P A -1.4525
283 N A -2.0287
284 A A -1.3816
285 C A 0.0000
286 H A -1.7497
287 N A -1.6201
288 G A -1.1097
289 G A -0.7853
290 T A -0.2253
291 C A -0.4781
292 F A -0.0277
293 N A -0.6113
294 T A 0.1039
295 L A 0.7519
296 G A -0.3804
297 G A -0.3250
298 H A -0.6648
299 S A -0.7357
300 C A -0.4910
301 V A -0.3100
302 C A -0.7357
303 V A -0.2360
304 N A -0.0783
305 G A 0.0000
306 W A -0.7174
307 T A -1.0759
308 G A -1.4869
309 E A -2.2285
310 S A -1.6671
311 C A 0.0000
312 S A -1.5707
313 Q A -1.9712
314 N A -1.3079
315 I A -0.6424
316 D A -1.8301
317 D A -0.8175
318 C A -0.2854
319 A A -0.1282
320 T A 0.1782
321 A A 0.9194
322 V A 1.9481
323 C A 1.6820
324 F A 1.0276
325 H A -0.7873
326 G A -0.4759
327 A A 0.3027
328 T A 0.3046
329 C A 0.5537
330 H A -0.6639
331 D A -1.1982
332 R A -1.4528
333 V A 0.1994
334 A A -0.0913
335 S A -0.1745
336 F A 0.2513
337 Y A 1.2738
338 C A 1.5004
339 A A 0.7267
340 C A 0.6754
341 P A 0.2249
342 M A 0.8562
343 G A -0.0669
344 K A -0.8411
345 T A -0.2847
346 G A 0.5651
347 L A 2.3501
348 L A 1.8087
349 C A 0.0000
350 H A 0.0015
351 L A -1.1095
352 D A -2.3686
353 D A -1.6401
354 A A -1.4526
355 C A -0.5246
356 V A 0.4632
357 S A -0.1937
358 N A -1.0616
359 P A -1.0682
360 C A -1.2768
361 H A -2.1438
362 E A -2.8566
363 D A -2.2007
364 A A -0.8384
365 I A 0.9960
366 C A -0.1923
367 D A -1.1727
368 T A 0.0000
369 N A -1.1580
370 P A -0.4091
371 V A 0.7795
372 N A -1.3564
373 G A -1.9997
374 R A -2.4586
375 A A 0.0000
376 I A 0.0749
377 C A -0.1298
378 T A 0.4992
379 C A -0.3325
380 P A -0.3942
381 P A -0.3322
382 G A -0.7301
383 F A -1.4471
384 T A -1.2127
385 G A -1.3938
386 G A -0.9356
387 A A -1.2661
388 C A 0.0000
389 D A -2.9260
390 Q A -2.5896
391 D A -2.0003
392 V A -0.8747
393 D A -0.7615
394 E A -0.1427
395 C A -0.0746
396 S A 0.1927
397 I A 1.2819
398 G A 0.1854
399 A A -0.4851
400 N A -1.5317
401 P A -1.0843
402 C A 0.0000
403 E A -2.7738
404 H A -1.7190
405 L A -0.1170
406 G A 0.0000
407 R A -2.1958
408 C A 0.0000
409 V A 0.1143
410 N A -0.3906
411 T A -0.4184
412 Q A -1.8130
413 G A -1.2647
414 S A -0.2460
415 F A 0.4406
416 L A 0.8578
417 C A -0.9310
418 Q A -1.5755
419 C A -1.7523
420 G A -1.3538
421 R A -1.9628
422 G A -1.2024
423 Y A -1.3887
424 T A -1.6234
425 G A -1.6140
426 P A -1.3209
427 R A -2.8062
428 C A 0.0000
429 E A -2.9287
430 T A -1.9338
431 D A -1.8311
432 V A -0.8740
433 N A -0.7214
434 E A -0.8210
435 C A -0.0583
436 L A 0.9468
437 S A 0.0929
438 G A -0.4825
439 P A -0.3982
440 C A -0.7884
441 R A -2.2077
442 N A -2.1163
443 Q A -1.8011
444 A A -0.4009
445 T A 0.3203
446 C A 0.5476
447 L A 0.4386
448 D A -0.7757
449 R A -1.2000
450 I A 0.0725
451 G A 0.0000
452 Q A -1.4078
453 F A -0.3459
454 T A 0.3148
455 C A 0.9886
456 I A 1.9216
457 C A 0.8594
458 M A 0.3031
459 A A 0.3165
460 G A -0.7008
461 F A -0.2781
462 T A 0.1219
463 G A -0.0352
464 T A 0.2355
465 Y A 0.2032
466 C A 0.0000
467 E A -1.1719
468 V A -0.3245
469 D A -1.8687
470 I A -1.5956
471 D A -3.3742
472 E A -3.1473
473 C A -2.2697
474 Q A -2.3256
475 S A -1.3824
476 S A -0.6647
477 P A -0.0784
478 C A 0.2866
479 V A 0.5112
480 N A -0.7682
481 G A -0.2740
482 G A 0.3725
483 V A 1.2770
484 C A -0.2982
485 K A -2.1723
486 D A -3.6014
487 R A -2.9067
488 V A -0.6167
489 N A -1.5547
490 G A -1.5278
491 F A -1.5832
492 S A -0.7274
493 C A 0.2446
494 T A 0.3363
495 C A 0.3416
496 P A -0.3057
497 S A -0.7920
498 G A -1.5529
499 F A -0.7681
500 S A -0.2990
501 G A -0.5220
502 S A -0.2651
503 T A 0.0418
504 C A 0.0000
505 Q A -0.9022
506 L A -0.0754
507 D A -2.1582
508 V A -1.4053
509 D A -2.6922
510 E A -2.8589
511 C A -1.7522
512 A A -0.9640
513 S A -0.7425
514 T A -0.9484
515 P A -0.8243
516 C A 0.0000
517 R A -3.1246
518 N A -3.0456
519 G A -2.2984
520 A A -2.8897
521 K A -2.9642
522 C A -2.2047
523 V A -2.1568
524 D A -3.1816
525 Q A -2.8339
526 P A -2.3394
527 D A -2.8285
528 G A -2.2033
529 Y A -2.2086
530 E A -2.6623
531 C A -2.4473
532 R A -3.1447
533 C A -2.8965
534 A A -1.8765
535 E A -1.9017
536 G A 0.0000
537 F A -2.5810
538 E A -3.2563
539 G A -2.2753
540 T A -1.5800
541 L A -2.0046
542 C A 0.0000
543 D A -3.7223
544 R A -3.8446
545 N A -2.5166
546 V A -1.7724
547 D A -2.1908
548 D A -1.5611
549 C A -1.6790
550 S A -1.6523
551 P A -1.5667
552 D A -2.6486
553 P A -1.8781
554 C A -2.0168
555 H A -2.4623
556 H A -1.9536
557 G A -1.7788
558 R A -2.1713
559 C A -1.1238
560 V A 0.1225
561 D A -0.8951
562 G A 0.2802
563 I A 1.0900
564 A A -0.0848
565 S A 0.0825
566 F A -0.0063
567 S A -0.1865
568 C A -1.0203
569 A A -0.4770
570 C A -0.8950
571 A A -0.5978
572 P A -0.4553
573 G A -0.8479
574 Y A -1.0389
575 T A -0.9747
576 G A -1.1991
577 T A -0.9643
578 R A -2.2513
579 C A 0.0000
580 E A -2.4413
581 S A -1.7540
582 Q A -1.5630
583 V A -1.5822
584 D A -2.5817
585 E A -2.3368
586 C A -2.3541
587 R A -2.9989
588 S A -1.9635
589 Q A -2.7042
590 P A -1.5682
591 C A 0.0000
592 R A -2.8199
593 H A -1.6644
594 G A -2.0159
595 G A -2.2465
596 K A -2.7924
597 C A 0.0000
598 L A -0.8595
599 D A -1.7448
600 L A -0.1430
601 V A 0.0391
602 D A -2.0717
603 K A -1.8146
604 Y A -0.6071
605 L A 0.3954
606 C A -0.9486
607 R A -2.0641
608 C A -1.2700
609 P A -1.1823
610 S A -0.4785
611 G A -0.4893
612 T A 0.0000
613 T A 0.0297
614 G A 0.2214
615 V A 1.3069
616 N A -0.5074
617 C A 0.0000
618 E A -0.6150
619 V A 0.4848
620 N A -0.5313
621 I A -0.0540
622 D A -1.9872
623 D A -2.4530
624 C A 0.0000
625 A A -1.0094
626 S A -1.1702
627 N A -1.3612
628 P A -0.3643
629 C A 0.3449
630 T A 0.6198
631 F A 1.4450
632 G A 1.0751
633 V A 1.5505
634 C A -0.1204
635 R A -2.2741
636 D A -2.3813
637 G A -1.7788
638 I A -0.5139
639 N A -1.5972
640 R A -2.6977
641 Y A -2.3173
642 D A -1.9006
643 C A 0.0858
644 V A 1.5356
645 C A 0.9071
646 Q A -0.8124
647 P A -1.1867
648 G A 0.0000
649 F A -0.4105
650 T A 0.3046
651 G A 0.4563
652 P A 0.0145
653 L A 0.9833
654 C A 0.0000
655 N A -0.1939
656 V A 0.7370
657 E A -1.4747
658 I A -0.9470
659 N A -1.8369
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1998 R A -1.4997
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2243 P A -0.2152
2244 Y A 1.5549
2245 L A 1.9553
2246 T A 0.8119
2247 P A -0.1006
2248 S A -0.7043
2249 P A -1.3945
2250 E A -2.3391
2251 S A -1.8853
2252 P A -1.6568
2253 E A -2.1471
2254 H A -1.2837
2255 W A 0.1839
2256 A A 0.0331
2257 S A -0.2245
2258 P A -0.4144
2259 S A -0.6079
2260 P A -0.5825
2261 P A -0.2313
2262 S A 0.3474
2263 L A 0.8735
2264 S A -0.2081
2265 D A -1.0158
2266 W A -0.2615
2267 S A -1.1128
2268 E A -1.8052
2269 S A -1.2602
2270 T A -0.8248
2271 P A -0.5139
2272 S A -0.4959
2273 P A -0.4190
2274 A A -0.1490
2275 T A -0.1131
2276 A A -0.1024
2277 T A -0.2627
2278 G A -0.1938
2279 A A 0.3798
2280 M A 0.9839
2281 A A 0.5379
2282 T A 0.1270
2283 T A -0.2296
2284 T A -0.3596
2285 G A -0.1418
2286 A A 0.4891
2287 L A 1.2420
2288 P A 0.2660
2289 A A -0.2498
2290 Q A -0.8381
2291 P A -0.1333
2292 L A 1.3578
2293 P A 1.1600
2294 L A 2.0320
2295 S A 1.3805
2296 V A 1.8413
2297 P A 0.4026
2298 S A 0.2683
2299 S A 0.3924
2300 L A 1.1633
2301 A A 0.2064
2302 Q A -1.0567
2303 A A -1.1894
2304 Q A -1.6863
2305 T A -0.8988
2306 Q A -0.7225
2307 L A 0.6006
2308 G A -0.3397
2309 P A -0.8407
2310 Q A -1.7953
2311 P A -1.3533
2312 E A -1.2681
2313 V A 0.5059
2314 T A -0.3003
2315 P A -1.3123
2316 K A -3.0120
2317 R A -2.8714
2318 Q A -1.3721
2319 V A 1.5915
2320 L A 1.9799
2321 A A 1.1738
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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 -0.0765 7.2447 View CSV PDB
4.5 -0.1612 7.2447 View CSV PDB
5.0 -0.2635 7.2447 View CSV PDB
5.5 -0.3695 7.2447 View CSV PDB
6.0 -0.4666 7.2447 View CSV PDB
6.5 -0.5471 7.2447 View CSV PDB
7.0 -0.6104 7.2447 View CSV PDB
7.5 -0.6618 7.2447 View CSV PDB
8.0 -0.7048 7.2447 View CSV PDB
8.5 -0.7379 7.2447 View CSV PDB
9.0 -0.7576 7.2447 View CSV PDB