Project name: C933R

Status: done

Started: 2026-05-14 00:52:00
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSRFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:19:00)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/7c035bffdacdd9b/tmp/folded.pdb                (00:19:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:41)
Show buried residues

Minimal score value
-5.0528
Maximal score value
5.9411
Average score
-0.7688
Total score value
-1784.4149

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 0.7019
2 G A -0.1939
3 P A -0.6956
4 G A -1.0844
5 A A -1.5826
6 R A -2.9730
7 G A -3.0782
8 R A -4.2821
9 R A -4.8085
10 R A -5.0528
11 R A -5.0287
12 R A -4.3650
13 R A -3.4211
14 P A -1.5281
15 M A -0.0811
16 S A -0.2996
17 P A -0.3384
18 P A -0.5050
19 P A -0.7115
20 P A -0.7158
21 P A -0.3864
22 P A -0.3781
23 P A -0.1315
24 V A 0.8764
25 R A -0.6164
26 A A 0.5732
27 L A 1.8323
28 P A 1.7361
29 L A 3.3710
30 L A 3.9341
31 L A 3.9578
32 L A 3.7631
33 L A 2.8338
34 A A 1.1942
35 G A -0.0010
36 P A -0.4335
37 G A -0.6606
38 A A -0.3105
39 A A -0.6250
40 A A -0.7156
41 P A -0.4703
42 P A -0.6026
43 C A -0.4698
44 L A 0.4186
45 D A -1.2806
46 G A -0.8994
47 S A -1.1517
48 P A -1.1407
49 C A -1.6795
50 A A -1.6744
51 N A -1.8634
52 G A -1.3926
53 G A 0.0000
54 R A -1.7422
55 C A 0.0000
56 T A -0.5497
57 Q A -1.4465
58 L A -0.7420
59 P A -0.9017
60 S A -1.3317
61 R A -2.1775
62 E A -2.4761
63 A A -1.4158
64 A A -1.1901
65 C A -0.7564
66 L A 0.4995
67 C A -0.3034
68 P A -0.1865
69 P A -0.4276
70 G A -0.9867
71 W A -0.9629
72 V A -1.0084
73 G A -1.3101
74 E A -2.4858
75 R A -2.9630
76 C A 0.0000
77 Q A -2.2461
78 L A -1.5628
79 E A -2.3517
80 D A -1.5758
81 P A -1.3059
82 C A -0.8822
83 H A -1.5206
84 S A -1.1396
85 G A -0.8515
86 P A -0.3446
87 C A -0.7514
88 A A -0.6045
89 G A -1.0745
90 R A -1.8745
91 G A -1.0743
92 V A 0.4510
93 C A -0.1165
94 Q A -0.4629
95 S A -0.3557
96 S A -0.0055
97 V A 0.7194
98 V A 1.5184
99 A A 0.6325
100 G A -0.2140
101 T A -0.2065
102 A A 0.0000
103 R A -1.3480
104 F A -0.7790
105 S A -0.6868
106 C A -0.8414
107 R A -1.6761
108 C A -1.1105
109 P A -1.2653
110 R A -1.9030
111 G A 0.0000
112 F A -0.2289
113 R A -0.7325
114 G A -0.5868
115 P A -0.7953
116 D A -0.8723
117 C A 0.0000
118 S A -0.3043
119 L A 0.4531
120 P A 0.1336
121 D A -0.0981
122 P A 0.1580
123 C A 0.4087
124 L A 0.8162
125 S A 0.3072
126 S A -0.0938
127 P A -0.3364
128 C A -1.1320
129 A A -1.6330
130 H A -1.6882
131 G A -1.2773
132 A A -1.5602
133 R A -1.8340
134 C A -0.2167
135 S A -0.1022
136 V A 0.0755
137 G A -0.6412
138 P A -1.2208
139 D A -2.2676
140 G A -1.5099
141 R A -1.9300
142 F A -0.4307
143 L A 0.1397
144 C A -0.5377
145 S A -0.9456
146 C A -1.3594
147 P A -0.8463
148 P A -0.5197
149 G A -0.9166
150 Y A -1.8391
151 Q A -2.4001
152 G A -2.4854
153 R A -2.3880
154 S A -1.9069
155 C A 0.0000
156 R A -2.9486
157 S A -2.2952
158 D A -1.9588
159 V A -1.1038
160 D A -1.0200
161 E A -1.5230
162 C A -1.4471
163 R A -1.6934
164 V A 0.1192
165 G A -1.0299
166 E A -2.3971
167 P A -1.6545
168 C A 0.0000
169 R A -2.8686
170 H A -2.1202
171 G A -1.7450
172 G A -1.7578
173 T A -1.2873
174 C A -1.4668
175 L A -0.7441
176 N A -1.2294
177 T A -0.8358
178 P A -0.9836
179 G A -1.1192
180 S A -0.8819
181 F A -1.0092
182 R A -1.9137
183 C A -1.6445
184 Q A -1.3678
185 C A -1.2210
186 P A -0.6485
187 A A 0.1367
188 G A 0.2123
189 Y A -0.4052
190 T A -0.5350
191 G A -0.8045
192 P A -1.0261
193 L A -1.3204
194 C A 0.0000
195 E A -1.5433
196 N A -1.1363
197 P A -0.2883
198 A A 0.5505
199 V A 1.2700
200 P A 0.0490
201 C A -0.1840
202 A A 0.2875
203 P A 0.0214
204 S A -0.6899
205 P A -1.0157
206 C A -2.0668
207 R A -2.7981
208 N A -1.8653
209 G A -1.2176
210 G A -1.4897
211 T A -1.1885
212 C A -1.8251
213 R A -2.9189
214 Q A -2.3629
215 S A -1.7491
216 G A -1.3894
217 D A -1.1053
218 L A 0.7597
219 T A -0.4891
220 Y A -1.5652
221 D A -2.7685
222 C A 0.0000
223 A A -0.9222
224 C A -0.8180
225 L A 0.1312
226 P A -0.2111
227 G A -0.4104
228 F A -0.9423
229 E A -1.9912
230 G A -1.8122
231 Q A -2.3189
232 N A -2.2348
233 C A 0.0000
234 E A -1.8374
235 V A -0.6725
236 N A -0.6635
237 V A -0.6671
238 D A -1.7292
239 D A -1.9972
240 C A -1.5651
241 P A -1.5224
242 G A -1.3881
243 H A -1.6680
244 R A -1.9984
245 C A -0.8840
246 L A 0.2638
247 N A -0.4440
248 G A -0.4851
249 G A -0.7229
250 T A -0.5916
251 C A -0.6401
252 V A -0.3164
253 D A -0.9977
254 G A -0.3179
255 V A 0.5076
256 N A -0.8417
257 T A -0.8146
258 Y A -1.4111
259 N A -1.6809
260 C A -1.3073
261 Q A -1.4072
262 C A -1.1163
263 P A -0.7769
264 P A -0.6679
265 E A -1.0264
266 W A 0.0000
267 T A -1.4770
268 G A -1.6866
269 Q A -1.9597
270 F A -1.3350
271 C A 0.0000
272 T A -1.1575
273 E A -1.9964
274 D A -1.1304
275 V A -0.7505
276 D A -0.7502
277 E A -0.8472
278 C A -0.7113
279 Q A -1.0552
280 L A 0.0219
281 Q A -1.4370
282 P A -1.4919
283 N A -2.1575
284 A A -1.3765
285 C A 0.0000
286 H A -2.2426
287 N A -2.0856
288 G A -1.6427
289 G A -0.8175
290 T A -0.1540
291 C A -0.0227
292 F A 1.2628
293 N A 0.1964
294 T A 0.4781
295 L A 0.8789
296 G A -0.5457
297 G A -0.3524
298 H A -0.2235
299 S A -0.2294
300 C A -0.2554
301 V A 0.1274
302 C A -0.6943
303 V A -0.3897
304 N A -0.3565
305 G A 0.0000
306 W A -0.6306
307 T A -1.1529
308 G A -1.5546
309 E A -2.2966
310 S A -1.7843
311 C A 0.0000
312 S A -1.6791
313 Q A -1.9992
314 N A -1.2723
315 I A -0.7686
316 D A -2.0030
317 D A -0.9517
318 C A -0.3925
319 A A -0.2951
320 T A 0.0209
321 A A 0.7404
322 V A 1.7418
323 C A 1.3453
324 F A 0.4492
325 H A -1.1071
326 G A -0.6760
327 A A 0.0553
328 T A 0.1356
329 C A 0.2556
330 H A -0.7127
331 D A -1.2464
332 R A -0.8601
333 V A -0.2133
334 A A -0.1847
335 S A -0.0844
336 F A 0.4688
337 Y A 1.2902
338 C A 0.0000
339 A A 0.6344
340 C A 0.4545
341 P A 0.1319
342 M A 0.8540
343 G A -0.0916
344 K A -1.1023
345 T A -0.8001
346 G A 0.2994
347 L A 1.9192
348 L A 1.5293
349 C A 0.0000
350 H A -0.8824
351 L A -1.3732
352 D A -2.4740
353 D A -1.5294
354 A A -1.2376
355 C A -0.3914
356 V A 0.8076
357 S A -0.1308
358 N A -0.9728
359 P A -0.9702
360 C A -1.2097
361 H A -2.1126
362 E A -2.8308
363 D A -2.1867
364 A A -0.7981
365 I A 1.0444
366 C A 0.1238
367 D A -1.2835
368 T A 0.0000
369 N A -1.0078
370 P A -0.6310
371 V A 0.3771
372 N A -1.3268
373 G A -1.9770
374 R A -2.3954
375 A A 0.0000
376 I A 0.2897
377 C A -0.0353
378 T A 0.4463
379 C A -0.2557
380 P A -0.3154
381 P A -0.4466
382 G A -0.7115
383 F A -1.4134
384 T A -1.1766
385 G A -1.3737
386 G A -0.8807
387 A A -1.2145
388 C A 0.0000
389 D A -2.9008
390 Q A -2.5478
391 D A -1.9398
392 V A -0.8622
393 D A -0.8036
394 E A -0.1593
395 C A -0.0948
396 S A 0.1580
397 I A 1.4814
398 G A 0.3182
399 A A -0.5217
400 N A -1.6358
401 P A -1.3003
402 C A 0.0000
403 E A -2.8149
404 H A -1.6731
405 L A 0.0589
406 G A 0.0000
407 R A -2.2171
408 C A 0.0000
409 V A 0.1008
410 N A -0.3860
411 T A -0.4131
412 Q A -1.7863
413 G A -1.3919
414 S A -0.2274
415 F A 0.4510
416 L A 0.7765
417 C A -0.9867
418 Q A -1.5759
419 C A -1.7506
420 G A -1.2932
421 R A -1.9165
422 G A -1.0209
423 Y A -1.3473
424 T A -1.6665
425 G A -1.6050
426 P A -1.3592
427 R A -3.0195
428 C A 0.0000
429 E A -2.8155
430 T A -1.8973
431 D A -1.7452
432 V A -0.7574
433 N A -0.7608
434 E A -0.7952
435 C A -0.1095
436 L A 0.9283
437 S A 0.0705
438 G A -0.5518
439 P A -0.3684
440 C A -1.0920
441 R A -2.3657
442 N A -2.1697
443 Q A -2.0136
444 A A -1.0508
445 T A -0.4498
446 C A -0.1058
447 L A 0.0000
448 D A -0.6603
449 R A -0.5463
450 I A 0.4203
451 G A 0.0000
452 Q A -1.2340
453 F A -0.3746
454 T A -0.1255
455 C A 0.0749
456 I A -0.0181
457 C A -0.0318
458 M A -0.2653
459 A A 0.0363
460 G A -0.6385
461 F A -0.4134
462 T A -0.0734
463 G A -0.1694
464 T A 0.0708
465 Y A 0.0360
466 C A 0.0000
467 E A -1.1270
468 V A -0.2298
469 D A -1.7186
470 I A -1.2688
471 D A -2.8699
472 E A -2.8524
473 C A -2.0692
474 Q A -2.1593
475 S A -1.4907
476 S A -0.5602
477 P A 0.0000
478 C A 0.3228
479 V A 0.2968
480 N A -0.8642
481 G A -0.3632
482 G A 0.2964
483 V A 1.2276
484 C A -0.3403
485 K A -2.0658
486 D A -3.4409
487 R A -2.7979
488 V A -0.5332
489 N A -1.4777
490 G A -1.4300
491 F A -1.5032
492 S A -0.7204
493 C A 0.1954
494 T A 0.3432
495 C A 0.3204
496 P A -0.3376
497 S A -0.9343
498 G A -1.9013
499 F A -0.9377
500 S A -0.3284
501 G A -0.4368
502 S A -0.2319
503 T A 0.0000
504 C A 0.0000
505 Q A -0.6999
506 L A -0.2027
507 D A -2.3527
508 V A -1.7675
509 D A -3.0090
510 E A -3.0420
511 C A -1.9175
512 A A -1.0670
513 S A -0.7499
514 T A -0.8641
515 P A -0.7723
516 C A 0.0000
517 R A -2.9786
518 N A -2.7998
519 G A -2.2685
520 A A -2.8009
521 K A -3.0264
522 C A -2.2668
523 V A -2.3264
524 D A -3.6112
525 Q A -3.0678
526 P A -2.4830
527 D A -2.9496
528 G A -2.3629
529 Y A -2.4371
530 E A -2.7846
531 C A -2.4171
532 R A -3.0584
533 C A -2.7522
534 A A -1.8441
535 E A -1.7038
536 G A -1.0058
537 F A -2.1651
538 E A -2.5924
539 G A -1.8790
540 T A -1.3619
541 L A -1.6802
542 C A 0.0000
543 D A -3.4910
544 R A -3.5356
545 N A -2.1668
546 V A -1.4045
547 D A -2.0257
548 D A -1.3838
549 C A -1.5769
550 S A -1.5995
551 P A -1.5615
552 D A -2.6334
553 P A -1.9020
554 C A 0.0000
555 H A -2.5342
556 H A -1.9431
557 G A -1.8254
558 R A -2.1686
559 C A -1.0763
560 V A 0.1875
561 D A -0.6875
562 G A 0.4281
563 I A 1.2029
564 A A 0.0118
565 S A 0.1690
566 F A 0.1247
567 S A -0.1340
568 C A -1.0169
569 A A -0.4749
570 C A -0.8884
571 A A -0.4958
572 P A -0.2877
573 G A -0.5118
574 Y A -0.5551
575 T A -0.6945
576 G A -1.1023
577 T A -0.9919
578 R A -2.2631
579 C A 0.0000
580 E A -2.3885
581 S A -1.3949
582 Q A -0.8069
583 V A -0.9362
584 D A -2.1504
585 E A -2.3988
586 C A 0.0000
587 R A -2.9944
588 S A -2.0483
589 Q A -2.7630
590 P A -1.5615
591 C A 0.0000
592 R A -2.8009
593 H A -1.6994
594 G A -1.9738
595 G A -2.2213
596 K A -2.7137
597 C A 0.0000
598 L A -0.8104
599 D A -1.4876
600 L A -0.1282
601 V A 0.2281
602 D A -1.8537
603 K A -1.5565
604 Y A -0.6583
605 L A 0.4922
606 C A -0.8733
607 R A -2.0197
608 C A -1.2581
609 P A -1.2214
610 S A -0.6592
611 G A -0.4573
612 T A 0.0000
613 T A 0.1041
614 G A 0.2409
615 V A 1.3221
616 N A -0.5198
617 C A 0.0000
618 E A -0.6150
619 V A 0.6441
620 N A -0.4979
621 I A 0.0526
622 D A -1.9248
623 D A -2.3044
624 C A -1.8377
625 A A -0.9348
626 S A -1.0580
627 N A -1.3473
628 P A -0.3849
629 C A 0.1060
630 T A 0.7215
631 F A 1.6224
632 G A 0.7738
633 V A 1.1810
634 C A -0.4520
635 R A -2.6468
636 D A -2.6258
637 G A -1.9395
638 I A -0.5456
639 N A -1.6241
640 R A -2.7595
641 Y A -2.6090
642 D A -2.2692
643 C A 0.0000
644 V A 0.4233
645 C A 0.3194
646 Q A -1.0029
647 P A -1.3447
648 G A -1.6927
649 F A -0.5222
650 T A 0.0742
651 G A 0.0950
652 P A -0.1908
653 L A 0.5805
654 C A 0.0000
655 N A -0.3790
656 V A 0.5252
657 E A -1.7294
658 I A -1.2504
659 N A -2.2241
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1995 F A -0.0044
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2244 Y A 1.3850
2245 L A 1.8507
2246 T A 0.8266
2247 P A -0.1089
2248 S A -0.7590
2249 P A -1.4084
2250 E A -2.4386
2251 S A -1.8861
2252 P A -1.8093
2253 E A -2.4058
2254 H A -1.3951
2255 W A 0.1504
2256 A A -0.0932
2257 S A -0.2074
2258 P A -0.4007
2259 S A -0.5994
2260 P A -0.4603
2261 P A -0.2637
2262 S A 0.0547
2263 L A 0.8986
2264 S A -0.1465
2265 D A -1.1622
2266 W A -0.1101
2267 S A -1.0887
2268 E A -1.9541
2269 S A -1.1723
2270 T A -0.8263
2271 P A -0.5019
2272 S A -0.5000
2273 P A -0.4034
2274 A A -0.1652
2275 T A -0.1305
2276 A A -0.1352
2277 T A -0.1656
2278 G A -0.2104
2279 A A 0.3378
2280 M A 0.9763
2281 A A 0.5070
2282 T A 0.1734
2283 T A -0.2411
2284 T A -0.2125
2285 G A -0.1318
2286 A A 0.5135
2287 L A 1.2191
2288 P A 0.2671
2289 A A -0.2074
2290 Q A -0.8209
2291 P A 0.0245
2292 L A 1.3168
2293 P A 1.0817
2294 L A 1.9910
2295 S A 1.4417
2296 V A 1.7950
2297 P A 0.5708
2298 S A 0.3617
2299 S A 0.5861
2300 L A 1.1653
2301 A A 0.2705
2302 Q A -1.0697
2303 A A -1.1295
2304 Q A -1.7661
2305 T A -0.9690
2306 Q A -0.8797
2307 L A 0.6464
2308 G A -0.2429
2309 P A -0.8060
2310 Q A -1.9464
2311 P A -1.4045
2312 E A -1.3422
2313 V A 0.6910
2314 T A -0.1575
2315 P A -1.4527
2316 K A -3.0522
2317 R A -2.8120
2318 Q A -1.4224
2319 V A 1.5916
2320 L A 2.0559
2321 A A 1.2361
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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 -0.0796 7.2434 View CSV PDB
4.5 -0.165 7.2434 View CSV PDB
5.0 -0.268 7.2434 View CSV PDB
5.5 -0.3743 7.2434 View CSV PDB
6.0 -0.4713 7.2434 View CSV PDB
6.5 -0.5512 7.2434 View CSV PDB
7.0 -0.6139 7.2434 View CSV PDB
7.5 -0.6651 7.2434 View CSV PDB
8.0 -0.7084 7.2434 View CSV PDB
8.5 -0.7422 7.2434 View CSV PDB
9.0 -0.7624 7.2434 View CSV PDB