Project name: C360R

Status: done

Started: 2026-05-12 07:15:16
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPRHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:19)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/1bd94067f1fbe45/tmp/folded.pdb                (00:18:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:40:23)
Show buried residues

Minimal score value
-4.7853
Maximal score value
5.4158
Average score
-0.7609
Total score value
-1766.0783

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 0.7661
2 G A -0.1835
3 P A -0.4993
4 G A -1.0657
5 A A -1.4439
6 R A -2.8016
7 G A -2.6987
8 R A -4.0573
9 R A -4.5145
10 R A -4.7082
11 R A -4.6845
12 R A -4.2097
13 R A -3.2695
14 P A -1.3240
15 M A 0.1244
16 S A -0.1663
17 P A -0.3440
18 P A -0.5244
19 P A -0.6581
20 P A -0.6634
21 P A -0.4279
22 P A -0.3518
23 P A -0.0360
24 V A 0.8629
25 R A -0.6778
26 A A 0.4438
27 L A 1.7616
28 P A 1.6084
29 L A 3.1201
30 L A 3.7874
31 L A 3.7704
32 L A 3.6381
33 L A 2.7629
34 A A 1.0925
35 G A -0.0918
36 P A -0.4746
37 G A -0.6687
38 A A -0.2553
39 A A -0.3193
40 A A -0.4496
41 P A -1.1323
42 P A -0.9609
43 C A 0.0000
44 L A 0.0939
45 D A -1.3554
46 G A -0.9332
47 S A -0.7483
48 P A -0.9606
49 C A -1.0961
50 A A -1.3342
51 N A -1.6789
52 G A -1.2731
53 G A -1.2045
54 R A -1.6743
55 C A -0.4796
56 T A -0.8517
57 Q A -1.9197
58 L A -1.2679
59 P A -1.3815
60 S A -1.8420
61 R A -3.0877
62 E A -2.8409
63 A A 0.0000
64 A A -1.0135
65 C A 0.0000
66 L A 0.5743
67 C A -0.0990
68 P A -0.2060
69 P A -0.4357
70 G A -0.9906
71 W A -0.7885
72 V A -0.5926
73 G A -0.8993
74 E A -1.9306
75 R A -1.7930
76 C A 0.0000
77 Q A -1.6962
78 L A -1.2915
79 E A -2.3148
80 D A -1.6054
81 P A -1.3522
82 C A -0.9583
83 H A -1.5954
84 S A -1.1394
85 G A -0.8490
86 P A -0.3863
87 C A -0.7726
88 A A -0.5459
89 G A -0.9940
90 R A -1.6467
91 G A -1.0394
92 V A 0.4788
93 C A -0.2363
94 Q A -0.7830
95 S A -0.4725
96 S A -0.0144
97 V A 0.7633
98 V A 1.6084
99 A A 0.6360
100 G A -0.1850
101 T A -0.2135
102 A A 0.0000
103 R A -1.3927
104 F A -0.4010
105 S A -0.7771
106 C A -0.9075
107 R A -1.7412
108 C A -1.0922
109 P A -1.2566
110 R A -1.7625
111 G A -0.3466
112 F A -0.2928
113 R A -0.6608
114 G A -0.6223
115 P A -0.8099
116 D A -0.8737
117 C A 0.0000
118 S A -0.3189
119 L A 0.4522
120 P A -0.0633
121 D A -0.1669
122 P A 0.1368
123 C A 0.2565
124 L A 0.6481
125 S A 0.2270
126 S A -0.1214
127 P A -0.3561
128 C A -1.1306
129 A A -1.6662
130 H A -1.7731
131 G A -1.3131
132 A A -1.4172
133 R A -1.8084
134 C A -0.2122
135 S A -0.1211
136 V A 0.0277
137 G A -0.6467
138 P A -1.2011
139 D A -2.1997
140 G A -1.4167
141 R A -1.7341
142 F A -0.4460
143 L A 0.1420
144 C A -0.5155
145 S A -0.8775
146 C A -1.2531
147 P A -0.7941
148 P A -0.5048
149 G A -0.7373
150 Y A -1.7545
151 Q A -2.3954
152 G A -2.4734
153 R A -2.3667
154 S A -1.8631
155 C A 0.0000
156 R A -2.9556
157 S A -2.3186
158 D A -1.9518
159 V A -1.0298
160 D A -0.7749
161 E A -1.0166
162 C A -1.2355
163 R A -1.5652
164 V A 0.2508
165 G A -0.9648
166 E A -2.3309
167 P A -1.5642
168 C A 0.0000
169 R A -2.9944
170 H A -2.1721
171 G A -1.7904
172 G A -1.7458
173 T A -1.2788
174 C A -1.3441
175 L A -0.6111
176 N A -1.0542
177 T A 0.0000
178 P A -0.9236
179 G A -1.0331
180 S A -0.6803
181 F A -0.7448
182 R A -1.7778
183 C A -1.6070
184 Q A -1.5188
185 C A -1.2775
186 P A -0.6436
187 A A 0.1240
188 G A 0.0243
189 Y A -0.6115
190 T A -0.7602
191 G A -0.9818
192 P A -1.0981
193 L A -1.3947
194 C A 0.0000
195 E A -1.9528
196 N A -1.6461
197 P A -0.6211
198 A A 0.2058
199 V A 0.7787
200 P A -0.1107
201 C A -0.3214
202 A A 0.0178
203 P A -0.0640
204 S A -0.7564
205 P A -1.1623
206 C A -2.1628
207 R A -2.6468
208 N A -1.9196
209 G A -1.3241
210 G A -1.6751
211 T A -1.1993
212 C A -1.8399
213 R A -2.8817
214 Q A -2.3101
215 S A -1.7001
216 G A -1.2173
217 D A -1.1411
218 L A 0.6950
219 T A -0.5054
220 Y A -1.5964
221 D A -2.8412
222 C A 0.0000
223 A A -0.9486
224 C A -0.9482
225 L A 0.0104
226 P A -0.1592
227 G A -0.6988
228 F A -1.2927
229 E A -1.9679
230 G A -2.0289
231 Q A -2.3469
232 N A -2.3149
233 C A 0.0000
234 E A -2.2290
235 V A -0.7198
236 N A -1.2815
237 V A -1.2115
238 D A -1.8829
239 D A -1.9859
240 C A -1.5998
241 P A -1.4426
242 G A -1.3613
243 H A -1.6521
244 R A -2.0751
245 C A -1.0994
246 L A -0.2300
247 N A -0.7986
248 G A -0.6988
249 G A -0.8916
250 T A -0.6290
251 C A -0.7920
252 V A -0.1889
253 D A -1.0890
254 G A -0.4004
255 V A 0.4085
256 N A -1.0032
257 T A -0.7882
258 Y A -1.2819
259 N A -1.5990
260 C A -1.3031
261 Q A -1.4118
262 C A -1.2187
263 P A -0.7354
264 P A -0.9337
265 E A -1.4462
266 W A -1.3612
267 T A -1.6562
268 G A -1.6600
269 Q A -1.9398
270 F A -1.3579
271 C A 0.0000
272 T A -1.2818
273 E A -2.2228
274 D A -1.5643
275 V A 0.0000
276 D A -1.9795
277 E A -1.4605
278 C A -0.9148
279 Q A -1.3027
280 L A -0.2145
281 Q A -1.4004
282 P A -1.2667
283 N A -1.4584
284 A A -0.8855
285 C A 0.0000
286 H A -0.9919
287 N A -0.7037
288 G A -0.4157
289 G A 0.4602
290 T A 1.0376
291 C A 0.6167
292 F A 1.5209
293 N A -0.2428
294 T A 0.2894
295 L A 0.6274
296 G A -0.5285
297 G A -0.3400
298 H A -0.4518
299 S A 0.1950
300 C A 0.8612
301 V A 2.0202
302 C A 0.7527
303 V A 0.9760
304 N A -0.2782
305 G A 0.0000
306 W A -0.3574
307 T A -0.7034
308 G A -1.2410
309 E A -1.9746
310 S A -1.2136
311 C A 0.0000
312 S A -1.5231
313 Q A -1.7643
314 N A -1.3909
315 I A -0.8366
316 D A -1.9550
317 D A -0.9657
318 C A -0.4234
319 A A -0.1871
320 T A 0.0712
321 A A 0.9496
322 V A 2.0749
323 C A 1.5232
324 F A 1.0489
325 H A -0.7389
326 G A -0.4356
327 A A 0.2756
328 T A 0.1862
329 C A 0.1763
330 H A -0.7785
331 D A -1.5829
332 R A -1.3615
333 V A -0.4059
334 A A -0.6040
335 S A -0.5743
336 F A -0.3472
337 Y A 0.7215
338 C A 1.0842
339 A A 0.5153
340 C A 0.5689
341 P A 0.2325
342 M A 0.8139
343 G A -0.1250
344 K A -0.7932
345 T A -0.4547
346 G A 0.0000
347 L A 1.3911
348 L A 1.4887
349 C A 0.0000
350 H A -0.0413
351 L A -0.8879
352 D A -2.0307
353 D A -1.3925
354 A A -1.0473
355 C A -0.5528
356 V A 0.0377
357 S A -0.9440
358 N A -1.9585
359 P A -2.1425
360 R A -3.7039
361 H A -3.0005
362 E A -3.2898
363 D A -2.4697
364 A A -1.1373
365 I A 1.1194
366 C A 0.2034
367 D A -0.9858
368 T A -1.0407
369 N A -0.7941
370 P A -0.6753
371 V A -0.1450
372 N A -0.7934
373 G A 0.0000
374 R A -1.1133
375 A A -0.5711
376 I A 0.3596
377 C A 0.4844
378 T A 0.3891
379 C A -0.3047
380 P A -0.3417
381 P A -0.0288
382 G A -0.6509
383 F A -1.2052
384 T A -1.1702
385 G A -1.3903
386 G A -1.0679
387 A A -1.5013
388 C A 0.0000
389 D A -3.3996
390 Q A -2.7904
391 D A -2.0128
392 V A -0.9421
393 D A -0.8774
394 E A -0.0948
395 C A -0.0842
396 S A 0.2049
397 I A 1.2948
398 G A 0.2316
399 A A -0.3764
400 N A -1.2350
401 P A -0.8892
402 C A 0.0000
403 E A -2.1717
404 H A -1.4110
405 L A 0.0051
406 G A 0.0000
407 R A -2.0036
408 C A 0.0000
409 V A 0.1348
410 N A -0.4266
411 T A -0.6578
412 Q A -1.8387
413 G A -1.4857
414 S A 0.0000
415 F A -0.0759
416 L A 0.6062
417 C A -0.7104
418 Q A -1.4246
419 C A -1.5237
420 G A -1.3385
421 R A -2.0088
422 G A 0.0000
423 Y A -1.2873
424 T A -1.4767
425 G A -1.1866
426 P A -0.9796
427 R A -1.6874
428 C A 0.0000
429 E A -2.4249
430 T A -1.7897
431 D A -2.1697
432 V A -0.8400
433 N A -0.6480
434 E A 0.0000
435 C A -0.0945
436 L A 1.0873
437 S A 0.2812
438 G A -0.3751
439 P A -0.2838
440 C A -0.8246
441 R A -2.3929
442 N A -2.1879
443 Q A -1.8422
444 A A -0.4607
445 T A 0.1067
446 C A 0.1693
447 L A -0.3245
448 D A -1.9152
449 R A -2.0479
450 I A -0.3550
451 G A -1.2903
452 Q A -1.6500
453 F A -0.7324
454 T A -0.0388
455 C A 0.7717
456 I A 2.0261
457 C A 0.8486
458 M A 0.3050
459 A A 0.3969
460 G A -0.6805
461 F A -0.2702
462 T A 0.1264
463 G A -0.0141
464 T A 0.2658
465 Y A 0.2583
466 C A 0.0000
467 E A -1.1719
468 V A -0.3256
469 D A -1.8676
470 I A -1.5498
471 D A -3.3135
472 E A -3.1183
473 C A -2.2736
474 Q A -2.3041
475 S A -1.3781
476 S A -0.6805
477 P A -0.0961
478 C A 0.2904
479 V A 0.5257
480 N A -0.7119
481 G A -0.2189
482 G A 0.3830
483 V A 1.2578
484 C A -0.3607
485 K A -2.2760
486 D A -3.6326
487 R A -2.9198
488 V A -0.5909
489 N A -1.5353
490 G A -1.5385
491 F A -1.6210
492 S A -0.7651
493 C A 0.2227
494 T A 0.3174
495 C A 0.3414
496 P A -0.3390
497 S A -0.8934
498 G A -1.9453
499 F A -0.9823
500 S A -0.4217
501 G A -0.5334
502 S A -0.2486
503 T A 0.0423
504 C A 0.0000
505 Q A -0.9876
506 L A -0.3332
507 D A -2.4934
508 V A -1.9000
509 D A -3.0126
510 E A -2.9706
511 C A -1.8382
512 A A -1.0704
513 S A -0.7368
514 T A -0.9184
515 P A -0.7587
516 C A 0.0000
517 R A -2.7540
518 N A -2.8682
519 G A -2.2214
520 A A -2.7881
521 K A -2.9453
522 C A -2.1179
523 V A -2.0576
524 D A -3.4842
525 Q A -3.0643
526 P A -2.6221
527 D A -2.9553
528 G A -2.2727
529 Y A -2.1767
530 E A -2.5461
531 C A -2.3706
532 R A -2.9234
533 C A -2.8625
534 A A -1.8784
535 E A -1.8826
536 G A -0.9815
537 F A -2.3396
538 E A -3.2151
539 G A -2.2900
540 T A -1.5681
541 L A -1.7542
542 C A 0.0000
543 D A -3.5590
544 R A -3.4602
545 N A -2.1487
546 V A -1.3228
547 D A -1.5473
548 D A -1.4638
549 C A -1.8221
550 S A -1.5323
551 P A -1.4865
552 D A -2.7566
553 P A -1.9919
554 C A 0.0000
555 H A -2.6163
556 H A -2.0396
557 G A -1.8949
558 R A -2.3873
559 C A -1.6243
560 V A -0.7492
561 D A -1.6806
562 G A -0.0666
563 I A 1.0765
564 A A -0.0739
565 S A -0.0844
566 F A -0.3924
567 S A -0.5783
568 C A -1.3172
569 A A -0.4972
570 C A -0.9123
571 A A -0.5589
572 P A -0.3762
573 G A -0.6708
574 Y A -0.9085
575 T A -0.9381
576 G A -1.2746
577 T A -1.0384
578 R A -2.3364
579 C A 0.0000
580 E A -2.8063
581 S A -1.8361
582 Q A -1.4423
583 V A -1.2671
584 D A -2.2937
585 E A -2.1911
586 C A -2.2925
587 R A -2.9051
588 S A -1.9374
589 Q A -2.6814
590 P A -1.5289
591 C A 0.0000
592 R A -2.5808
593 H A -1.4343
594 G A -1.8367
595 G A -2.1885
596 K A -2.8104
597 C A 0.0000
598 L A -1.0294
599 D A -1.7287
600 L A -0.0678
601 V A 0.1572
602 D A -1.9714
603 K A -1.7763
604 Y A -0.6490
605 L A 0.2882
606 C A -0.9975
607 R A -2.0928
608 C A -1.2581
609 P A -1.0936
610 S A -0.4020
611 G A -0.3779
612 T A 0.0000
613 T A -0.0095
614 G A 0.1773
615 V A 1.2697
616 N A -0.5362
617 C A 0.0000
618 E A -0.6717
619 V A 0.4830
620 N A -0.5328
621 I A -0.0999
622 D A -2.0376
623 D A -2.4749
624 C A 0.0000
625 A A -1.0649
626 S A -1.1201
627 N A -1.4265
628 P A -0.4432
629 C A 0.1101
630 T A 0.5929
631 F A 1.2048
632 G A 0.7883
633 V A 1.2604
634 C A -0.5245
635 R A -2.6873
636 D A -2.6555
637 G A -1.7690
638 I A -0.1172
639 N A -1.4269
640 R A -2.6147
641 Y A -2.3099
642 D A -2.2430
643 C A 0.0000
644 V A 0.7256
645 C A 0.5272
646 Q A -0.6015
647 P A -1.1571
648 G A -1.3875
649 F A -0.3656
650 T A 0.2260
651 G A 0.3435
652 P A -0.1640
653 L A 0.6946
654 C A 0.0000
655 N A -0.1640
656 V A 0.7084
657 E A -1.3052
658 I A -0.7667
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1998 R A -1.7056
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2242 H A -1.7350
2243 P A -0.1141
2244 Y A 1.4973
2245 L A 2.0407
2246 T A 0.8413
2247 P A -0.2801
2248 S A -0.8889
2249 P A -1.4127
2250 E A -2.1881
2251 S A -1.7778
2252 P A -1.7575
2253 E A -2.1633
2254 H A -1.3194
2255 W A 0.1158
2256 A A 0.0251
2257 S A -0.1195
2258 P A -0.4118
2259 S A -0.5995
2260 P A -0.5844
2261 P A -0.2309
2262 S A 0.3801
2263 L A 0.8758
2264 S A -0.2263
2265 D A -1.0099
2266 W A -0.2712
2267 S A -1.0733
2268 E A -1.8067
2269 S A -1.2751
2270 T A -0.7621
2271 P A -0.5031
2272 S A -0.4921
2273 P A -0.4076
2274 A A -0.1727
2275 T A -0.1109
2276 A A -0.1019
2277 T A -0.2616
2278 G A -0.1837
2279 A A 0.3809
2280 M A 0.9834
2281 A A 0.4941
2282 T A 0.1130
2283 T A -0.2338
2284 T A -0.3393
2285 G A -0.1800
2286 A A 0.6020
2287 L A 1.2459
2288 P A 0.1855
2289 A A -0.2088
2290 Q A -0.8340
2291 P A -0.1561
2292 L A 1.3398
2293 P A 1.0384
2294 L A 2.0352
2295 S A 1.3865
2296 V A 1.8414
2297 P A 0.4007
2298 S A 0.2774
2299 S A 0.3928
2300 L A 1.1636
2301 A A 0.2108
2302 Q A -1.0606
2303 A A -1.1926
2304 Q A -1.6910
2305 T A -0.9093
2306 Q A -0.7194
2307 L A 0.6042
2308 G A -0.3405
2309 P A -0.8495
2310 Q A -1.9700
2311 P A -1.3631
2312 E A -1.2688
2313 V A 0.6318
2314 T A -0.1061
2315 P A -1.3016
2316 K A -3.0093
2317 R A -2.8628
2318 Q A -1.3644
2319 V A 1.5922
2320 L A 1.9880
2321 A A 1.1764
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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 -0.085 6.5808 View CSV PDB
4.5 -0.1692 6.5808 View CSV PDB
5.0 -0.2711 6.5808 View CSV PDB
5.5 -0.3763 6.5808 View CSV PDB
6.0 -0.4726 6.5808 View CSV PDB
6.5 -0.5525 6.5808 View CSV PDB
7.0 -0.616 6.5808 View CSV PDB
7.5 -0.6679 6.5808 View CSV PDB
8.0 -0.7115 6.5808 View CSV PDB
8.5 -0.7452 6.5808 View CSV PDB
9.0 -0.7655 6.5808 View CSV PDB