Project name: R544C

Status: done

Started: 2026-05-08 07:36:42
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDCNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:12)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:12)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:12)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:12)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:38)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:38)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:28:43)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/67a6c2fcac92c3c/tmp/folded.pdb                (00:28:43)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:51)
Show buried residues

Minimal score value
-4.7612
Maximal score value
5.0882
Average score
-0.7524
Total score value
-1746.3352

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 0.7107
2 G A -0.1931
3 P A -0.6344
4 G A -0.9511
5 A A -1.3072
6 R A -2.5833
7 G A -2.7765
8 R A -3.7603
9 R A -4.2666
10 R A -4.7612
11 R A -4.5636
12 R A -4.0377
13 R A -3.3145
14 P A -1.3695
15 M A 0.1186
16 S A -0.0710
17 P A -0.3427
18 P A -0.6493
19 P A -0.6343
20 P A -0.6497
21 P A -0.4572
22 P A -0.2831
23 P A -0.0874
24 V A 0.8600
25 R A -0.6670
26 A A 0.5511
27 L A 1.8172
28 P A 1.6925
29 L A 3.2984
30 L A 3.9000
31 L A 3.9383
32 L A 3.7029
33 L A 2.8331
34 A A 1.1491
35 G A 0.0250
36 P A -0.4127
37 G A -0.6603
38 A A -0.2979
39 A A -0.4143
40 A A -0.7999
41 P A -0.2632
42 P A -0.9117
43 C A -0.6630
44 L A 0.4058
45 D A -1.2953
46 G A -0.9092
47 S A -1.1050
48 P A -1.0275
49 C A -1.3682
50 A A -1.3965
51 N A -1.6808
52 G A -1.2839
53 G A 0.0000
54 R A -1.6514
55 C A 0.0000
56 T A -0.5822
57 Q A -1.3532
58 L A -0.9024
59 P A -1.1072
60 S A -1.6526
61 R A -2.8782
62 E A -2.8119
63 A A -1.5231
64 A A -1.2070
65 C A -0.8184
66 L A 0.5058
67 C A -0.3544
68 P A -0.1989
69 P A -0.4508
70 G A -1.0173
71 W A -0.9094
72 V A -0.8999
73 G A -1.0609
74 E A -2.1151
75 R A -2.2007
76 C A 0.0000
77 Q A -1.8079
78 L A -1.5575
79 E A -2.3034
80 D A -1.6870
81 P A -1.4430
82 C A -1.0590
83 H A -1.6482
84 S A -1.1462
85 G A -0.8523
86 P A -0.5625
87 C A -0.7668
88 A A -0.5022
89 G A -0.9767
90 R A -1.6376
91 G A -1.0769
92 V A 0.4151
93 C A -0.3719
94 Q A -1.1156
95 S A -0.7028
96 S A -0.2266
97 V A 0.5551
98 V A 1.5096
99 A A 0.5956
100 G A -0.2451
101 T A -0.1621
102 A A 0.0000
103 R A -1.4702
104 F A -0.7234
105 S A -0.9301
106 C A -0.9896
107 R A -1.7591
108 C A -1.0686
109 P A -1.2593
110 R A -1.7678
111 G A -0.3556
112 F A -0.1620
113 R A -0.6061
114 G A -0.5263
115 P A -0.7320
116 D A -0.7386
117 C A 0.0000
118 S A -0.0215
119 L A 0.4882
120 P A 0.1230
121 D A -0.1627
122 P A 0.0416
123 C A 0.2179
124 L A 0.4864
125 S A 0.1370
126 S A -0.2107
127 P A -0.4301
128 C A -1.1706
129 A A -1.6504
130 H A -1.7221
131 G A -1.2916
132 A A -1.5599
133 R A -1.8583
134 C A -0.3011
135 S A -0.1499
136 V A 0.0758
137 G A 0.0000
138 P A -1.2116
139 D A -2.2648
140 G A -1.5152
141 R A -1.9577
142 F A -0.5853
143 L A -0.0356
144 C A -0.7743
145 S A -0.9324
146 C A -1.2913
147 P A -0.7978
148 P A -0.5037
149 G A -0.8183
150 Y A -1.8248
151 Q A -2.4361
152 G A -2.4819
153 R A -2.4145
154 S A -1.9284
155 C A 0.0000
156 R A -2.9546
157 S A -2.3103
158 D A -1.9714
159 V A -1.1970
160 D A -1.1183
161 E A -1.3668
162 C A -1.4110
163 R A -1.7399
164 V A 0.1474
165 G A -1.0121
166 E A -2.3833
167 P A -1.6896
168 C A 0.0000
169 R A -3.0150
170 H A -2.1081
171 G A -1.7630
172 G A -1.7425
173 T A -1.2888
174 C A -1.4434
175 L A -0.4986
176 N A -1.1861
177 T A 0.0000
178 P A -0.9671
179 G A -1.1003
180 S A -0.8191
181 F A -0.9479
182 R A -1.8693
183 C A -1.6503
184 Q A -1.5475
185 C A -1.2590
186 P A -0.6325
187 A A 0.0205
188 G A 0.1125
189 Y A -0.3897
190 T A -0.6756
191 G A -0.9267
192 P A -1.0986
193 L A -1.3941
194 C A 0.0000
195 E A -1.7925
196 N A -1.5475
197 P A -0.4582
198 A A 0.4031
199 V A 1.1521
200 P A 0.0381
201 C A -0.2250
202 A A 0.2965
203 P A 0.0462
204 S A -0.6786
205 P A -1.0112
206 C A -2.0445
207 R A -2.7243
208 N A -1.8349
209 G A -1.2924
210 G A -1.4880
211 T A -1.1891
212 C A -1.8439
213 R A -2.9433
214 Q A -2.4189
215 S A -1.8132
216 G A -1.3095
217 D A -1.2314
218 L A 0.5029
219 T A -0.6251
220 Y A -1.6553
221 D A -2.8545
222 C A 0.0000
223 A A -0.9330
224 C A -0.7835
225 L A 0.1205
226 P A -0.0105
227 G A -0.4820
228 F A -0.9041
229 E A -1.9072
230 G A -1.8436
231 Q A -2.2567
232 N A -2.1460
233 C A 0.0000
234 E A -1.7419
235 V A -0.5491
236 N A -0.5766
237 V A -0.7396
238 D A -1.7420
239 D A -1.9631
240 C A -1.5919
241 P A -1.4096
242 G A -1.3718
243 H A -1.6771
244 R A -2.0182
245 C A 0.0000
246 L A 0.1036
247 N A -0.6980
248 G A -0.6155
249 G A -0.8132
250 T A -0.6614
251 C A -0.9096
252 V A -0.5109
253 D A -1.1338
254 G A -0.3641
255 V A 0.6332
256 N A -0.8436
257 T A -0.8221
258 Y A -1.4691
259 N A -1.9131
260 C A -1.3650
261 Q A -1.4198
262 C A -1.1264
263 P A -0.6739
264 P A -0.8102
265 E A -1.3848
266 W A -1.2729
267 T A -1.4258
268 G A -1.6510
269 Q A -1.9335
270 F A -1.3967
271 C A 0.0000
272 T A -1.2345
273 E A -2.1442
274 D A -1.5304
275 V A -1.1807
276 D A -1.3993
277 E A -1.2820
278 C A -1.0154
279 Q A -1.2686
280 L A -0.1673
281 Q A -1.5746
282 P A -1.5311
283 N A -2.1765
284 A A -1.3896
285 C A 0.0000
286 H A -2.0888
287 N A -1.6228
288 G A -0.9524
289 G A -0.1774
290 T A 0.6221
291 C A 0.2820
292 F A 1.3088
293 N A -0.2220
294 T A 0.2406
295 L A 0.6152
296 G A -0.5540
297 G A -0.4023
298 H A -0.5317
299 S A 0.0558
300 C A 0.6262
301 V A 1.9100
302 C A 0.4119
303 V A 0.6593
304 N A -0.3091
305 G A 0.0000
306 W A -0.4398
307 T A -0.8611
308 G A -1.2814
309 E A -2.0278
310 S A -1.5316
311 C A 0.0000
312 S A -1.6416
313 Q A -1.7929
314 N A -1.2694
315 I A -0.7363
316 D A -1.9525
317 D A -0.9494
318 C A -0.4396
319 A A -0.2328
320 T A 0.0012
321 A A 0.7804
322 V A 1.8265
323 C A 1.5574
324 F A 0.9153
325 H A -0.6723
326 G A -0.4817
327 A A 0.1896
328 T A 0.2381
329 C A 0.4551
330 H A -0.7678
331 D A -1.2805
332 R A -1.4209
333 V A -0.0084
334 A A -0.2617
335 S A -0.4486
336 F A 0.2244
337 Y A 1.0430
338 C A 0.0000
339 A A 0.6035
340 C A 0.5058
341 P A 0.1267
342 M A 0.7591
343 G A -0.1503
344 K A -1.1133
345 T A -0.7492
346 G A 0.3979
347 L A 1.9653
348 L A 1.6226
349 C A 0.0000
350 H A -0.2925
351 L A -1.1685
352 D A -2.2233
353 D A -1.5740
354 A A -1.2846
355 C A -0.4668
356 V A 0.4784
357 S A -0.0699
358 N A -1.0018
359 P A -0.7899
360 C A -1.2231
361 H A -2.2224
362 E A -2.8740
363 D A -2.3891
364 A A -0.8373
365 I A 1.0185
366 C A 0.0557
367 D A -1.1106
368 T A 0.0000
369 N A -1.0286
370 P A -0.3024
371 V A 0.6612
372 N A -1.1335
373 G A -1.8297
374 R A -2.3785
375 A A 0.0000
376 I A 0.2497
377 C A -0.0701
378 T A 0.4209
379 C A -0.2848
380 P A -0.3306
381 P A -0.5319
382 G A -0.9971
383 F A -1.5729
384 T A -1.2289
385 G A -1.4141
386 G A -0.9044
387 A A -1.0438
388 C A 0.0000
389 D A -2.9909
390 Q A -2.6137
391 D A -2.1361
392 V A -1.2680
393 D A -1.4657
394 E A -0.8857
395 C A -0.2443
396 S A -0.0748
397 I A 1.0086
398 G A 0.1165
399 A A -0.5160
400 N A -1.3485
401 P A -0.9849
402 C A 0.0000
403 E A -2.5795
404 H A -1.5987
405 L A 0.1691
406 G A 0.0000
407 R A -1.0021
408 C A -0.4829
409 V A 0.4612
410 N A -0.4719
411 T A -0.5678
412 Q A -1.7830
413 G A -1.4573
414 S A -0.5037
415 F A 0.1881
416 L A 1.0450
417 C A -0.6310
418 Q A -1.1113
419 C A -1.4411
420 G A -1.1031
421 R A -1.9792
422 G A 0.0000
423 Y A -1.4324
424 T A -1.6905
425 G A -1.6135
426 P A -1.2840
427 R A -2.5939
428 C A 0.0000
429 E A -2.8912
430 T A -2.0007
431 D A -2.1242
432 V A -0.8440
433 N A -0.7224
434 E A -0.6932
435 C A -0.1419
436 L A 0.8021
437 S A -0.0729
438 G A -0.4145
439 P A -0.2734
440 C A -0.6878
441 R A -2.1015
442 N A -2.0193
443 Q A -1.7120
444 A A -0.3931
445 T A 0.1656
446 C A 0.2860
447 L A -0.1117
448 D A -1.6839
449 R A -1.6368
450 I A -0.2620
451 G A 0.0000
452 Q A -1.5197
453 F A -0.5595
454 T A 0.1453
455 C A 0.8076
456 I A 1.8712
457 C A 0.8762
458 M A 0.3449
459 A A 0.3801
460 G A 0.0000
461 F A 0.0000
462 T A 0.0631
463 G A 0.1156
464 T A 0.3844
465 Y A 0.4372
466 C A 0.0000
467 E A -0.7460
468 V A -0.0959
469 D A -1.5038
470 I A -1.1438
471 D A -2.8696
472 E A -2.3746
473 C A -1.8928
474 Q A -2.0785
475 S A -1.2193
476 S A -0.4218
477 P A -0.0365
478 C A 0.3264
479 V A 0.5612
480 N A -0.7115
481 G A -0.2410
482 G A 0.3783
483 V A 1.2480
484 C A -0.4338
485 K A -2.1079
486 D A -3.3711
487 R A -2.7019
488 V A -0.4395
489 N A -1.3540
490 G A -1.2663
491 F A -1.3034
492 S A -0.6443
493 C A 0.2372
494 T A 0.3259
495 C A 0.3967
496 P A -0.3560
497 S A -1.0857
498 G A -1.8340
499 F A -1.1053
500 S A -0.3737
501 G A -0.4291
502 S A -0.1788
503 T A 0.1000
504 C A 0.0000
505 Q A -0.9330
506 L A -0.2340
507 D A -2.2911
508 V A -1.6959
509 D A -2.6601
510 E A -2.6003
511 C A -1.5268
512 A A -0.9058
513 S A -0.7359
514 T A -0.9164
515 P A -0.7765
516 C A 0.0000
517 R A -2.3321
518 N A -2.6682
519 G A -2.2376
520 A A -2.8666
521 K A -2.8721
522 C A 0.0000
523 V A -1.6857
524 D A -2.4029
525 Q A -2.3137
526 P A -2.2573
527 D A -2.7319
528 G A -2.0037
529 Y A -1.9160
530 E A -2.4861
531 C A -2.4107
532 R A -3.0890
533 C A -2.7686
534 A A -2.0081
535 E A -1.9413
536 G A -0.8300
537 F A -1.8296
538 E A -2.7536
539 G A -1.5575
540 T A -1.3052
541 L A -1.6469
542 C A 0.0000
543 D A -2.5257
544 C A -1.4727
545 N A -1.3690
546 V A -1.1283
547 D A -2.0457
548 D A -1.4971
549 C A -1.8115
550 S A -1.6418
551 P A -1.5907
552 D A -2.8065
553 P A -2.0634
554 C A 0.0000
555 H A -2.7747
556 H A -2.2200
557 G A -2.0337
558 R A -2.3649
559 C A -1.4931
560 V A -0.4699
561 D A -1.0345
562 G A 0.2367
563 I A 1.1630
564 A A -0.0292
565 S A 0.0491
566 F A -0.2307
567 S A -0.4702
568 C A -1.3698
569 A A -0.6361
570 C A -1.2285
571 A A -0.8863
572 P A -0.6551
573 G A -0.8038
574 Y A -1.1232
575 T A -1.0875
576 G A -1.4588
577 T A -1.2682
578 R A -2.8424
579 C A 0.0000
580 E A -2.9833
581 S A -1.9039
582 Q A -1.4452
583 V A -1.1698
584 D A -2.1880
585 E A -2.1172
586 C A -2.1764
587 R A -2.8243
588 S A -1.8849
589 Q A -2.5639
590 P A -1.4578
591 C A -1.7466
592 R A -2.7668
593 H A -1.8758
594 G A -2.0836
595 G A -2.2463
596 K A -2.7810
597 C A -1.6768
598 L A -0.8401
599 D A -1.7449
600 L A 0.0262
601 V A 0.0717
602 D A -2.0309
603 K A -1.7725
604 Y A -0.5647
605 L A 0.5295
606 C A -0.9484
607 R A -2.0376
608 C A -1.3148
609 P A -1.3396
610 S A -0.6079
611 G A -0.9484
612 T A 0.0000
613 T A 0.0149
614 G A 0.3670
615 V A 1.3910
616 N A -0.5046
617 C A 0.0000
618 E A -0.7523
619 V A 0.4378
620 N A -1.0047
621 I A -0.5922
622 D A -2.4126
623 D A -3.0299
624 C A 0.0000
625 A A -1.1487
626 S A -1.2365
627 N A -1.3081
628 P A -0.4761
629 C A -0.0378
630 T A 0.4941
631 F A 1.2025
632 G A 0.6175
633 V A 1.1596
634 C A -0.6905
635 R A -2.6765
636 D A -2.7342
637 G A -2.2124
638 I A -1.1219
639 N A -2.3356
640 R A -3.2767
641 Y A -2.8384
642 D A -2.3348
643 C A -0.4215
644 V A 0.4169
645 C A 0.2258
646 Q A -0.7751
647 P A -1.3070
648 G A 0.0000
649 F A -0.5381
650 T A 0.2603
651 G A 0.2367
652 P A -0.2372
653 L A 0.5079
654 C A 0.0000
655 N A -0.3216
656 V A 0.6704
657 E A -1.4082
658 I A -0.9047
659 N A -1.8562
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1998 R A -1.5083
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2245 L A 1.9040
2246 T A 0.8954
2247 P A -0.1194
2248 S A -0.9588
2249 P A -1.3959
2250 E A -2.3721
2251 S A -1.9628
2252 P A -1.9190
2253 E A -2.4756
2254 H A -1.4437
2255 W A 0.2726
2256 A A 0.2578
2257 S A -0.0941
2258 P A -0.5207
2259 S A -0.5818
2260 P A -0.5937
2261 P A -0.2144
2262 S A 0.2931
2263 L A 0.8610
2264 S A -0.0346
2265 D A -1.1943
2266 W A -0.2404
2267 S A -1.0101
2268 E A -1.9813
2269 S A -1.2894
2270 T A -0.7996
2271 P A -0.5042
2272 S A -0.4806
2273 P A -0.4101
2274 A A -0.1447
2275 T A -0.1753
2276 A A -0.1306
2277 T A -0.1407
2278 G A -0.1705
2279 A A 0.3354
2280 M A 0.9472
2281 A A 0.4711
2282 T A 0.0963
2283 T A -0.1199
2284 T A -0.1434
2285 G A -0.1530
2286 A A 0.4970
2287 L A 1.1980
2288 P A 0.0987
2289 A A -0.1646
2290 Q A -0.8807
2291 P A -0.0308
2292 L A 1.4151
2293 P A 1.1942
2294 L A 2.1157
2295 S A 1.4864
2296 V A 1.8463
2297 P A 0.4164
2298 S A 0.2463
2299 S A 0.4060
2300 L A 1.1461
2301 A A 0.2193
2302 Q A -1.2661
2303 A A -0.9253
2304 Q A -1.7401
2305 T A -0.2194
2306 Q A 0.5678
2307 L A 1.2251
2308 G A 0.0483
2309 P A -0.9959
2310 Q A -1.6200
2311 P A -1.4947
2312 E A -1.4603
2313 V A 0.4236
2314 T A -0.5040
2315 P A -1.3315
2316 K A -2.8762
2317 R A -3.0206
2318 Q A -1.2470
2319 V A 1.5196
2320 L A 2.1786
2321 A A 1.2686
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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 -0.0577 7.5661 View CSV PDB
4.5 -0.1418 7.492 View CSV PDB
5.0 -0.2437 7.3913 View CSV PDB
5.5 -0.3491 7.2809 View CSV PDB
6.0 -0.4457 7.1777 View CSV PDB
6.5 -0.526 7.0991 View CSV PDB
7.0 -0.5894 7.0543 View CSV PDB
7.5 -0.6411 7.0351 View CSV PDB
8.0 -0.6848 7.0283 View CSV PDB
8.5 -0.719 7.026 View CSV PDB
9.0 -0.74 7.0253 View CSV PDB