Project name: P1008S

Status: done

Started: 2026-05-14 06:09:14
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQSCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[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                                          (00:26:10)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/e6cdddff86700a9/tmp/folded.pdb                (00:26:10)
[INFO]       Main:     Simulation completed successfully.                                          (01:03:27)
Show buried residues

Minimal score value
-4.8073
Maximal score value
5.605
Average score
-0.752
Total score value
-1745.3981

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 0.7101
2 G A -0.1766
3 P A -0.6451
4 G A -1.0536
5 A A -1.5224
6 R A -2.9029
7 G A -3.0325
8 R A -4.0891
9 R A -4.5523
10 R A -4.8073
11 R A -4.7427
12 R A -4.2315
13 R A -3.2833
14 P A -1.4262
15 M A -0.0151
16 S A -0.2247
17 P A -0.3268
18 P A -0.5136
19 P A -0.6892
20 P A -0.7015
21 P A -0.4004
22 P A -0.3575
23 P A -0.0871
24 V A 0.8630
25 R A -0.6662
26 A A 0.5392
27 L A 1.8107
28 P A 1.6585
29 L A 3.2642
30 L A 3.8425
31 L A 3.9354
32 L A 3.6557
33 L A 2.8079
34 A A 1.1102
35 G A -0.0096
36 P A -0.4846
37 G A -0.6460
38 A A -0.2774
39 A A -0.2905
40 A A -0.3510
41 P A -1.0437
42 P A -0.8667
43 C A -0.7880
44 L A 0.0902
45 D A -1.3558
46 G A -0.9336
47 S A -0.6944
48 P A -0.8550
49 C A -0.9917
50 A A -1.1711
51 N A -1.6490
52 G A -1.1945
53 G A -1.0042
54 R A -1.3905
55 C A 0.0262
56 T A -0.5815
57 Q A -1.7203
58 L A -1.2417
59 P A -1.2974
60 S A -1.7373
61 R A -3.0259
62 E A -2.7683
63 A A 0.0000
64 A A -0.7461
65 C A -0.2424
66 L A 0.7297
67 C A 0.0496
68 P A -0.2208
69 P A -0.4643
70 G A -1.0413
71 W A -1.0065
72 V A -0.7044
73 G A -0.7141
74 E A -1.6010
75 R A -1.3957
76 C A 0.0000
77 Q A -1.4322
78 L A -1.3497
79 E A -2.3061
80 D A -1.6433
81 P A -1.4144
82 C A -1.0304
83 H A -1.6157
84 S A -1.1470
85 G A -0.8556
86 P A -0.3977
87 C A -0.7971
88 A A -0.5546
89 G A -1.0397
90 R A -1.6657
91 G A -1.0861
92 V A 0.3500
93 C A -0.3454
94 Q A -0.9800
95 S A -0.6101
96 S A -0.1183
97 V A 0.7599
98 V A 1.6040
99 A A 0.6391
100 G A -0.1572
101 T A -0.0833
102 A A 0.0000
103 R A -1.3784
104 F A -0.7290
105 S A -0.9081
106 C A -0.9677
107 R A -1.7588
108 C A -1.0651
109 P A -1.2403
110 R A -1.7291
111 G A -0.2828
112 F A -0.1392
113 R A -0.6153
114 G A -0.5480
115 P A -0.7554
116 D A -0.8008
117 C A 0.0000
118 S A -0.2785
119 L A 0.4320
120 P A 0.1328
121 D A -0.0969
122 P A 0.1046
123 C A 0.3427
124 L A 0.7692
125 S A 0.2659
126 S A -0.1180
127 P A -0.4037
128 C A -1.1788
129 A A -1.6214
130 H A -1.7145
131 G A -1.2653
132 A A -1.5796
133 R A -1.8543
134 C A -0.2820
135 S A -0.1657
136 V A 0.0486
137 G A -0.7001
138 P A -1.2402
139 D A -2.2872
140 G A -1.5233
141 R A -1.9873
142 F A -0.5996
143 L A -0.2046
144 C A -0.8277
145 S A -0.9059
146 C A -1.3644
147 P A -0.8361
148 P A -0.5454
149 G A -0.8025
150 Y A -1.8762
151 Q A -2.4620
152 G A -2.4997
153 R A -2.4526
154 S A -1.9522
155 C A 0.0000
156 R A -2.9855
157 S A -2.3556
158 D A -1.9930
159 V A -0.9964
160 D A -0.8417
161 E A -0.9188
162 C A -1.1766
163 R A -1.5866
164 V A 0.2955
165 G A -0.9670
166 E A -2.2167
167 P A -1.6466
168 C A 0.0000
169 R A -2.8192
170 H A -2.0639
171 G A -1.6485
172 G A -1.6883
173 T A -1.2594
174 C A -1.3164
175 L A -0.5933
176 N A -1.0901
177 T A -0.7339
178 P A -0.9277
179 G A -1.0506
180 S A -0.6807
181 F A -0.7395
182 R A -1.7879
183 C A -1.6775
184 Q A -1.5126
185 C A -1.2534
186 P A -0.6076
187 A A 0.1553
188 G A 0.0588
189 Y A -0.4125
190 T A -0.7216
191 G A -0.9853
192 P A -1.1009
193 L A -1.3964
194 C A 0.0000
195 E A -1.8735
196 N A -1.6531
197 P A -0.4341
198 A A 0.2628
199 V A 0.8893
200 P A -0.0724
201 C A -0.2680
202 A A 0.0409
203 P A -0.0310
204 S A -0.6903
205 P A -1.0819
206 C A -2.2335
207 R A -3.0645
208 N A -2.2090
209 G A -1.4233
210 G A -1.6463
211 T A -1.1967
212 C A -1.8147
213 R A -2.8918
214 Q A -2.3102
215 S A -1.7084
216 G A -1.1983
217 D A -1.0957
218 L A 0.7757
219 T A -0.4256
220 Y A -1.4445
221 D A -2.7597
222 C A 0.0000
223 A A -0.9638
224 C A -0.9572
225 L A -0.0556
226 P A -0.1638
227 G A -0.6760
228 F A -1.4838
229 E A -2.3761
230 G A -2.1177
231 Q A -2.4582
232 N A -2.5097
233 C A 0.0000
234 E A -2.8966
235 V A -1.2813
236 N A -1.5768
237 V A -1.2616
238 D A -1.9147
239 D A -2.0018
240 C A -1.6740
241 P A -1.3889
242 G A -1.3650
243 H A -1.6822
244 R A -2.1640
245 C A 0.0000
246 L A -0.1985
247 N A -0.7991
248 G A -0.6773
249 G A 0.0000
250 T A -0.6681
251 C A -0.8888
252 V A -0.4249
253 D A -1.1157
254 G A -0.4875
255 V A 0.4113
256 N A -0.9903
257 T A -0.7971
258 Y A -1.3555
259 N A -1.8163
260 C A -1.3624
261 Q A -1.3950
262 C A -1.1082
263 P A -0.6366
264 P A -0.6987
265 E A -1.1052
266 W A -1.1106
267 T A -1.4418
268 G A -1.4781
269 Q A -1.9189
270 F A -1.3951
271 C A 0.0000
272 T A -0.9155
273 E A -2.0511
274 D A -1.2815
275 V A -0.8423
276 D A -1.0624
277 E A -1.2234
278 C A -1.1160
279 Q A -1.2344
280 L A -0.0024
281 Q A -1.4445
282 P A -1.5016
283 N A -2.1829
284 A A -1.6194
285 C A 0.0000
286 H A -2.2473
287 N A -1.7363
288 G A -1.0999
289 G A -0.5514
290 T A 0.1489
291 C A -0.3459
292 F A 0.0578
293 N A -0.6249
294 T A 0.0910
295 L A 0.6760
296 G A -0.4400
297 G A -0.3597
298 H A -0.7527
299 S A -0.3668
300 C A 0.0906
301 V A 1.3910
302 C A 0.1023
303 V A 0.2066
304 N A 0.0851
305 G A 0.0000
306 W A -0.7031
307 T A -0.7745
308 G A -1.3614
309 E A -2.0793
310 S A -1.6021
311 C A 0.0000
312 S A -1.6930
313 Q A -1.9967
314 N A -1.2993
315 I A -0.7273
316 D A -1.9536
317 D A -0.9708
318 C A -0.3453
319 A A -0.2744
320 T A 0.0136
321 A A 0.8109
322 V A 2.0946
323 C A 1.6158
324 F A 1.0448
325 H A -0.5708
326 G A -0.4347
327 A A 0.2387
328 T A 0.2133
329 C A 0.5310
330 H A -0.6094
331 D A -1.0253
332 R A -0.6274
333 V A 0.0014
334 A A -0.2152
335 S A 0.0000
336 F A 0.3335
337 Y A 1.0294
338 C A 0.0000
339 A A 0.5087
340 C A 0.4953
341 P A 0.1661
342 M A 0.8384
343 G A 0.0276
344 K A -0.9038
345 T A -0.4696
346 G A 0.5336
347 L A 1.8695
348 L A 1.7948
349 C A 0.0000
350 H A 0.0574
351 L A -1.0099
352 D A -2.1545
353 D A -1.3663
354 A A -1.1019
355 C A -0.2801
356 V A 0.7786
357 S A -0.0303
358 N A -0.9489
359 P A -0.9702
360 C A -1.2580
361 H A -2.2300
362 E A -2.8935
363 D A -2.2235
364 A A -0.8396
365 I A 1.0236
366 C A -0.0610
367 D A -0.9647
368 T A 0.0000
369 N A -0.7068
370 P A -0.0842
371 V A 1.0834
372 N A -0.9753
373 G A -1.6906
374 R A -2.1881
375 A A -0.8708
376 I A 0.4219
377 C A -0.0180
378 T A 0.4585
379 C A -0.2445
380 P A 0.0000
381 P A -0.4296
382 G A -0.7462
383 F A -1.4472
384 T A -1.2175
385 G A -1.3790
386 G A -0.8673
387 A A -1.2256
388 C A 0.0000
389 D A -2.9283
390 Q A -2.5894
391 D A -1.9859
392 V A -0.9853
393 D A -1.0188
394 E A -0.2296
395 C A -0.1330
396 S A 0.1142
397 I A 1.2211
398 G A 0.5504
399 A A -0.2628
400 N A -1.5181
401 P A -1.1911
402 C A 0.0000
403 E A -2.5662
404 H A -1.4991
405 L A -0.0258
406 G A 0.0000
407 R A -2.1415
408 C A 0.0000
409 V A 0.1238
410 N A -0.4351
411 T A -0.4363
412 Q A -1.6892
413 G A -1.4443
414 S A -0.2595
415 F A 0.3823
416 L A 0.7727
417 C A -1.0089
418 Q A -1.5422
419 C A -1.6917
420 G A -1.3118
421 R A -1.9374
422 G A -1.1480
423 Y A -1.3348
424 T A -1.5988
425 G A -1.5087
426 P A -1.2481
427 R A -2.6881
428 C A 0.0000
429 E A -2.6541
430 T A -1.7527
431 D A -1.5780
432 V A -0.8869
433 N A -0.9659
434 E A -0.8517
435 C A -0.2271
436 L A 0.8657
437 S A 0.0741
438 G A -0.5586
439 P A -0.3310
440 C A -0.7670
441 R A -2.2179
442 N A -1.9124
443 Q A -1.8911
444 A A -0.7153
445 T A -0.1009
446 C A -0.0627
447 L A -0.3094
448 D A -1.1000
449 R A -1.0654
450 I A 0.1869
451 G A -1.0570
452 Q A -1.3636
453 F A -0.5146
454 T A -0.0344
455 C A 0.3532
456 I A 0.9291
457 C A 0.4797
458 M A 0.1111
459 A A 0.0250
460 G A -0.6654
461 F A -0.3357
462 T A -0.1073
463 G A -0.0433
464 T A 0.2335
465 Y A 0.2872
466 C A 0.0000
467 E A -0.9956
468 V A -0.2618
469 D A -1.6902
470 I A -1.3432
471 D A -2.7949
472 E A -2.6538
473 C A -1.8363
474 Q A -2.0475
475 S A -1.3294
476 S A -0.5216
477 P A -0.1823
478 C A 0.2106
479 V A 0.5354
480 N A -0.6996
481 G A -0.2382
482 G A 0.3253
483 V A 1.2838
484 C A -0.3695
485 K A -1.9445
486 D A -2.4078
487 R A -2.3190
488 V A -0.3368
489 N A -1.3090
490 G A -1.2255
491 F A -1.1755
492 S A -0.5904
493 C A 0.2561
494 T A 0.2676
495 C A 0.3405
496 P A -0.3377
497 S A -0.9581
498 G A -1.9773
499 F A -0.9762
500 S A -0.5943
501 G A -0.5901
502 S A -0.2843
503 T A 0.0242
504 C A 0.0000
505 Q A -0.9419
506 L A -0.2272
507 D A -2.4676
508 V A -1.8696
509 D A -2.9451
510 E A -2.8910
511 C A -1.7413
512 A A -1.0378
513 S A -0.7441
514 T A -0.9386
515 P A -0.7718
516 C A 0.0000
517 R A -2.9306
518 N A -2.3978
519 G A -1.9318
520 A A -2.6037
521 K A -2.8453
522 C A -2.1905
523 V A -1.8624
524 D A -3.3081
525 Q A -3.1342
526 P A -2.7081
527 D A -3.0176
528 G A -2.2619
529 Y A -2.0055
530 E A -2.0691
531 C A -2.0384
532 R A -2.6898
533 C A -2.6223
534 A A -1.8353
535 E A -1.7270
536 G A -1.1367
537 F A -2.3486
538 E A -2.7135
539 G A -1.9195
540 T A -1.1837
541 L A -1.3477
542 C A 0.0000
543 D A -3.5392
544 R A -3.7633
545 N A -2.8366
546 V A -1.9525
547 D A -2.5745
548 D A -1.7547
549 C A -1.8784
550 S A -1.7367
551 P A -1.5719
552 D A -2.7474
553 P A -1.9603
554 C A 0.0000
555 H A -2.5950
556 H A -2.0491
557 G A -1.8482
558 R A -2.2396
559 C A -1.2894
560 V A -0.2212
561 D A -1.6242
562 G A -0.1383
563 I A 0.8131
564 A A -0.3121
565 S A -0.1169
566 F A -0.2793
567 S A -0.3674
568 C A -0.9798
569 A A -0.4114
570 C A -0.9219
571 A A -0.5709
572 P A -0.4061
573 G A -0.7966
574 Y A -1.0284
575 T A -1.0079
576 G A -1.2107
577 T A -1.0673
578 R A -2.4396
579 C A 0.0000
580 E A -2.8004
581 S A -1.8592
582 Q A -1.5327
583 V A -1.5846
584 D A -2.5351
585 E A -2.7485
586 C A 0.0000
587 R A -3.0763
588 S A -2.0321
589 Q A -2.7442
590 P A -1.5504
591 C A -1.7916
592 R A -2.8083
593 H A -1.7308
594 G A -1.9623
595 G A -2.2090
596 K A -2.7517
597 C A -1.7948
598 L A -0.8761
599 D A -1.8927
600 L A -0.2885
601 V A -0.0056
602 D A -2.1503
603 K A -1.9997
604 Y A -0.8294
605 L A 0.1180
606 C A -0.9780
607 R A -2.0532
608 C A -1.2229
609 P A -1.1980
610 S A -0.5203
611 G A -0.4671
612 T A 0.0000
613 T A 0.0259
614 G A 0.2282
615 V A 1.2772
616 N A -0.5402
617 C A 0.0000
618 E A -0.7087
619 V A 0.4587
620 N A -0.6749
621 I A -0.0739
622 D A -2.0573
623 D A -2.4967
624 C A -1.8944
625 A A -0.9834
626 S A -1.1391
627 N A -1.3017
628 P A -0.3562
629 C A 0.1728
630 T A 0.6404
631 F A 1.3278
632 G A 0.8554
633 V A 1.2350
634 C A -0.4699
635 R A -2.6819
636 D A -2.5232
637 G A -1.9171
638 I A -0.4702
639 N A -1.4136
640 R A -2.6575
641 Y A -2.4804
642 D A -2.2558
643 C A 0.0000
644 V A 0.5263
645 C A 0.6396
646 Q A -0.4012
647 P A -1.1815
648 G A -1.8155
649 F A -0.4115
650 T A 0.2098
651 G A 0.2230
652 P A -0.0066
653 L A 0.8722
654 C A 0.0000
655 N A -0.1069
656 V A 0.6358
657 E A -1.4871
658 I A -1.2743
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1998 R A -1.2560
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2244 Y A 1.6937
2245 L A 2.0242
2246 T A 0.8333
2247 P A 0.0680
2248 S A -0.7574
2249 P A -1.4082
2250 E A -2.3813
2251 S A -1.9907
2252 P A -1.9034
2253 E A -2.4721
2254 H A -1.3908
2255 W A 0.1780
2256 A A 0.0319
2257 S A -0.2074
2258 P A -0.4248
2259 S A -0.5981
2260 P A -0.4643
2261 P A -0.2284
2262 S A 0.0804
2263 L A 0.9716
2264 S A -0.0852
2265 D A -1.0206
2266 W A -0.1316
2267 S A -0.9867
2268 E A -1.7815
2269 S A -1.3299
2270 T A -0.7730
2271 P A -0.4998
2272 S A -0.4814
2273 P A -0.4072
2274 A A -0.1357
2275 T A -0.1319
2276 A A -0.1376
2277 T A -0.2126
2278 G A -0.2433
2279 A A 0.3690
2280 M A 0.9950
2281 A A 0.5791
2282 T A 0.1527
2283 T A -0.2423
2284 T A -0.3521
2285 G A -0.1702
2286 A A 0.5163
2287 L A 1.3525
2288 P A 0.2859
2289 A A -0.4503
2290 Q A -0.9962
2291 P A -0.1240
2292 L A 1.3430
2293 P A 1.2455
2294 L A 1.9891
2295 S A 1.3877
2296 V A 1.8066
2297 P A 0.4282
2298 S A 0.2745
2299 S A 0.5062
2300 L A 1.1421
2301 A A -0.0039
2302 Q A -1.0702
2303 A A -1.1861
2304 Q A -1.7182
2305 T A -0.9238
2306 Q A -0.7430
2307 L A 0.5849
2308 G A -0.3589
2309 P A -0.8153
2310 Q A -1.7923
2311 P A -1.3571
2312 E A -1.3642
2313 V A 0.4204
2314 T A -0.2750
2315 P A -1.4487
2316 K A -2.6372
2317 R A -2.7055
2318 Q A -1.3181
2319 V A 1.2945
2320 L A 1.9713
2321 A A 1.2180
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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 -0.0661 6.9476 View CSV PDB
4.5 -0.1494 6.9476 View CSV PDB
5.0 -0.2503 6.9476 View CSV PDB
5.5 -0.3547 6.9476 View CSV PDB
6.0 -0.45 6.9476 View CSV PDB
6.5 -0.5285 6.9476 View CSV PDB
7.0 -0.5898 6.9476 View CSV PDB
7.5 -0.6392 6.9476 View CSV PDB
8.0 -0.6805 6.9476 View CSV PDB
8.5 -0.7124 6.9476 View CSV PDB
9.0 -0.7311 6.9476 View CSV PDB