Project name: R578C

Status: done

Started: 2026-05-08 07:38:17
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTCCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:26)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:28:57)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/49ca85db7625e98/tmp/folded.pdb                (00:28:57)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:12)
Show buried residues

Minimal score value
-4.7842
Maximal score value
5.6822
Average score
-0.7544
Total score value
-1751.02

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 0.7144
2 G A -0.1920
3 P A -0.6375
4 G A -0.9680
5 A A -1.3533
6 R A -2.5377
7 G A -2.6977
8 R A -4.0044
9 R A -4.4535
10 R A -4.4529
11 R A -4.7842
12 R A -4.4570
13 R A -3.0422
14 P A -1.0861
15 M A 0.3250
16 S A 0.0670
17 P A -0.3060
18 P A -0.6171
19 P A -0.6167
20 P A -0.6242
21 P A -0.6292
22 P A -0.3725
23 P A 0.1115
24 V A 0.8826
25 R A -0.6563
26 A A 0.3085
27 L A 1.6590
28 P A 1.6878
29 L A 3.1924
30 L A 3.7957
31 L A 3.9242
32 L A 3.6467
33 L A 2.7595
34 A A 1.0955
35 G A 0.0033
36 P A -0.4754
37 G A -0.6605
38 A A -0.2794
39 A A -0.4416
40 A A -0.9112
41 P A -0.5106
42 P A -0.9559
43 C A -0.6161
44 L A 0.4045
45 D A -1.2929
46 G A -0.9323
47 S A -1.0876
48 P A -1.0622
49 C A -1.4256
50 A A -1.4459
51 N A -1.7209
52 G A -1.3113
53 G A 0.0000
54 R A -1.7103
55 C A 0.0000
56 T A -0.9469
57 Q A -1.7659
58 L A -1.1843
59 P A -1.2457
60 S A -1.7513
61 R A -3.0280
62 E A -2.9446
63 A A -1.8870
64 A A -1.3725
65 C A -0.9279
66 L A 0.4473
67 C A -0.3760
68 P A -0.1963
69 P A -0.4487
70 G A -1.0187
71 W A -0.9309
72 V A -0.9257
73 G A -1.0957
74 E A -2.1731
75 R A -2.3348
76 C A 0.0000
77 Q A -1.8538
78 L A -1.5760
79 E A -2.3023
80 D A -1.6829
81 P A -1.4469
82 C A -1.0608
83 H A -1.6483
84 S A -1.1476
85 G A -0.8491
86 P A -0.3882
87 C A -0.7842
88 A A -0.4779
89 G A -0.9589
90 R A -1.8214
91 G A -1.0754
92 V A 0.4127
93 C A -0.3789
94 Q A -1.1174
95 S A -0.7016
96 S A -0.2208
97 V A 0.5676
98 V A 1.5210
99 A A 0.6012
100 G A -0.2445
101 T A -0.1623
102 A A 0.0000
103 R A -1.4698
104 F A -0.7463
105 S A -0.9576
106 C A -0.9968
107 R A -1.7524
108 C A -1.0812
109 P A -1.2613
110 R A -1.9209
111 G A -0.3005
112 F A -0.0876
113 R A -0.4230
114 G A -0.4914
115 P A -0.7148
116 D A -0.7091
117 C A 0.0000
118 S A 0.0437
119 L A 0.7058
120 P A 0.2718
121 D A -0.0652
122 P A 0.0743
123 C A 0.2343
124 L A 0.6138
125 S A 0.1997
126 S A -0.1613
127 P A -0.4031
128 C A -1.1755
129 A A -1.6458
130 H A -1.7398
131 G A -1.3014
132 A A -1.6071
133 R A -1.8818
134 C A -0.3279
135 S A -0.2474
136 V A -0.1033
137 G A 0.0000
138 P A -1.2555
139 D A -2.3000
140 G A -1.5569
141 R A -2.0247
142 F A -0.6584
143 L A -0.2214
144 C A -0.8545
145 S A -0.9902
146 C A -1.3738
147 P A -0.8458
148 P A -0.5128
149 G A -0.8674
150 Y A -1.8172
151 Q A -2.4012
152 G A -2.4077
153 R A -2.2900
154 S A -1.8875
155 C A 0.0000
156 R A -2.9289
157 S A -2.2752
158 D A -1.9236
159 V A -1.1188
160 D A -1.0483
161 E A -1.3563
162 C A -1.3961
163 R A -1.6681
164 V A 0.1302
165 G A -1.0633
166 E A -2.3456
167 P A -1.7149
168 C A 0.0000
169 R A -2.7686
170 H A -2.0378
171 G A -1.6317
172 G A -1.6742
173 T A -1.2302
174 C A -1.3881
175 L A -0.6462
176 N A -1.1400
177 T A -0.7779
178 P A -0.9506
179 G A -1.0845
180 S A -0.8015
181 F A -0.9219
182 R A -1.8533
183 C A -1.5811
184 Q A -1.5081
185 C A -1.2528
186 P A -0.6132
187 A A 0.0131
188 G A 0.0993
189 Y A -0.4077
190 T A -0.6881
191 G A -0.9482
192 P A -1.0887
193 L A -1.3440
194 C A 0.0000
195 E A -1.8494
196 N A -1.6048
197 P A -0.3828
198 A A 0.3969
199 V A 1.2257
200 P A 0.0324
201 C A -0.2010
202 A A 0.3371
203 P A 0.0726
204 S A -0.6529
205 P A -1.0452
206 C A -2.1262
207 R A -2.8439
208 N A -1.8822
209 G A -1.2896
210 G A -1.5228
211 T A -1.1908
212 C A -1.8442
213 R A -2.9390
214 Q A -2.4334
215 S A -1.8464
216 G A -1.3574
217 D A -1.2960
218 L A 0.3317
219 T A -0.7025
220 Y A -1.6801
221 D A -2.8708
222 C A 0.0000
223 A A -0.9522
224 C A -0.8427
225 L A 0.1347
226 P A -0.0325
227 G A -0.5382
228 F A -1.0440
229 E A -2.2508
230 G A -2.0593
231 Q A -2.3857
232 N A -2.2700
233 C A 0.0000
234 E A -2.0948
235 V A -0.7746
236 N A -0.7274
237 V A -0.9580
238 D A -1.9850
239 D A -1.9829
240 C A -1.5955
241 P A -1.4223
242 G A -1.3721
243 H A -1.6771
244 R A -2.1195
245 C A 0.0000
246 L A 0.0211
247 N A -0.8763
248 G A -0.6218
249 G A -0.8351
250 T A -0.6618
251 C A -0.8963
252 V A -0.4690
253 D A -1.0948
254 G A -0.3572
255 V A 0.6226
256 N A -0.8603
257 T A -0.8253
258 Y A -1.4173
259 N A -1.8914
260 C A -1.3687
261 Q A -1.4228
262 C A -1.1286
263 P A -0.6516
264 P A -0.7519
265 E A -1.1763
266 W A -1.1560
267 T A -1.3601
268 G A -1.6399
269 Q A -1.9420
270 F A -1.4007
271 C A 0.0000
272 T A -1.2474
273 E A -2.0782
274 D A -1.3717
275 V A -0.9048
276 D A -0.8903
277 E A -1.0659
278 C A -0.7803
279 Q A -1.0965
280 L A -0.0300
281 Q A -1.4847
282 P A -1.5228
283 N A -2.1852
284 A A -1.3583
285 C A 0.0000
286 H A -2.1647
287 N A -1.6874
288 G A -0.9933
289 G A -0.2059
290 T A 0.6592
291 C A 0.4209
292 F A 1.5879
293 N A 0.0486
294 T A 0.4336
295 L A 0.7615
296 G A -0.4085
297 G A -0.1821
298 H A -0.2716
299 S A 0.1765
300 C A 0.6597
301 V A 1.9267
302 C A 0.3524
303 V A 0.5684
304 N A -0.3704
305 G A 0.0000
306 W A -0.5362
307 T A -0.9106
308 G A -1.3065
309 E A -2.0322
310 S A -1.5553
311 C A 0.0000
312 S A -1.6729
313 Q A -1.8351
314 N A -1.3394
315 I A -0.8255
316 D A -1.9946
317 D A -0.9384
318 C A -0.3921
319 A A -0.2545
320 T A 0.0264
321 A A 0.8718
322 V A 1.9995
323 C A 1.6906
324 F A 1.0410
325 H A -0.6118
326 G A -0.4422
327 A A 0.2458
328 T A 0.2868
329 C A 0.5174
330 H A -0.7344
331 D A -1.2712
332 R A -1.4539
333 V A -0.1669
334 A A -0.5310
335 S A -0.8845
336 F A 0.2465
337 Y A 1.1204
338 C A 0.0000
339 A A 0.6222
340 C A 0.5405
341 P A 0.1348
342 M A 0.7917
343 G A -0.0643
344 K A -1.0276
345 T A -0.6474
346 G A 0.5110
347 L A 2.3484
348 L A 1.7896
349 C A 0.0000
350 H A 0.0180
351 L A -1.0509
352 D A -2.1190
353 D A -1.3987
354 A A -1.1803
355 C A -0.3395
356 V A 0.8236
357 S A -0.0081
358 N A -0.9263
359 P A -1.0344
360 C A -1.3033
361 H A -2.2257
362 E A -2.8939
363 D A -2.2254
364 A A -0.8891
365 I A 0.9447
366 C A -0.0012
367 D A -1.1146
368 T A 0.0000
369 N A 0.0000
370 P A 0.0289
371 V A 0.9518
372 N A -1.0273
373 G A -1.8170
374 R A -2.3576
375 A A 0.0000
376 I A -0.0688
377 C A -0.2528
378 T A 0.1224
379 C A -0.4907
380 P A -0.3419
381 P A -0.4419
382 G A -0.7713
383 F A -1.4116
384 T A -1.5583
385 G A -1.7774
386 G A -1.1092
387 A A -1.2508
388 C A 0.0000
389 D A -2.7384
390 Q A -2.5247
391 D A -1.9501
392 V A -1.0598
393 D A -1.0694
394 E A -0.2976
395 C A -0.1636
396 S A -0.0101
397 I A 1.2095
398 G A 0.1919
399 A A -0.3135
400 N A -1.5019
401 P A -1.0535
402 C A 0.0000
403 E A -2.4458
404 H A -1.3666
405 L A -0.0889
406 G A 0.0000
407 R A -2.1695
408 C A 0.0000
409 V A 0.1155
410 N A -0.4656
411 T A -0.4755
412 Q A -1.5356
413 G A -1.2988
414 S A -0.3366
415 F A 0.3243
416 L A 0.6093
417 C A -0.9305
418 Q A -1.5332
419 C A -1.5557
420 G A -1.4129
421 R A -1.9528
422 G A 0.0000
423 Y A -0.9712
424 T A -1.2949
425 G A -1.0707
426 P A -1.1418
427 R A -2.1728
428 C A 0.0000
429 E A -1.7064
430 T A -1.2886
431 D A -1.3935
432 V A -0.6273
433 N A -0.7862
434 E A -0.6441
435 C A -0.0746
436 L A 0.9615
437 S A 0.1666
438 G A -0.4259
439 P A -0.3127
440 C A -0.8460
441 R A -2.2323
442 N A -1.9291
443 Q A -1.8273
444 A A -0.5509
445 T A 0.0750
446 C A 0.1899
447 L A -0.0939
448 D A -1.3049
449 R A -1.8170
450 I A -0.4198
451 G A 0.0000
452 Q A -1.5956
453 F A -0.5379
454 T A 0.1089
455 C A 0.6633
456 I A 1.3410
457 C A 0.6872
458 M A 0.2075
459 A A 0.2836
460 G A -0.6697
461 F A -0.2935
462 T A -0.0856
463 G A -0.0588
464 T A 0.2231
465 Y A 0.1819
466 C A 0.0000
467 E A -1.1734
468 V A -0.3492
469 D A -1.9018
470 I A -1.5311
471 D A -3.1868
472 E A -3.1289
473 C A -2.2469
474 Q A -2.2728
475 S A -1.3642
476 S A -0.5236
477 P A -0.0699
478 C A 0.3144
479 V A 0.6024
480 N A -0.7138
481 G A -0.2450
482 G A 0.3675
483 V A 1.2172
484 C A -0.5805
485 K A -2.3143
486 D A -3.6601
487 R A -2.9248
488 V A -0.6625
489 N A -1.5321
490 G A -1.5174
491 F A -1.6181
492 S A -0.8306
493 C A 0.1738
494 T A 0.3527
495 C A 0.3787
496 P A -0.3829
497 S A -1.1332
498 G A -2.0682
499 F A -1.1342
500 S A -0.6044
501 G A -0.5057
502 S A -0.2134
503 T A 0.0797
504 C A 0.0000
505 Q A -0.9362
506 L A -0.2493
507 D A -2.4863
508 V A -1.9590
509 D A -2.9692
510 E A -2.7827
511 C A -1.7728
512 A A -1.0171
513 S A -0.6965
514 T A -0.8946
515 P A -0.7614
516 C A 0.0000
517 R A -2.8874
518 N A -3.0542
519 G A -2.3356
520 A A -2.8913
521 K A -2.9898
522 C A 0.0000
523 V A -2.0733
524 D A -3.5298
525 Q A -3.1794
526 P A -2.6923
527 D A -2.9780
528 G A -2.2981
529 Y A -2.2402
530 E A -2.4550
531 C A -2.4072
532 R A -2.9717
533 C A -2.9980
534 A A -1.9862
535 E A -1.8801
536 G A -0.8968
537 F A -2.2619
538 E A -3.2409
539 G A -2.1658
540 T A -1.5767
541 L A -1.8723
542 C A 0.0000
543 D A -3.5981
544 R A -3.2567
545 N A -1.8515
546 V A -1.0848
547 D A -1.3165
548 D A -1.0117
549 C A -1.3829
550 S A -1.4360
551 P A -1.5032
552 D A -2.4872
553 P A -1.7167
554 C A 0.0000
555 H A -2.1777
556 H A -1.7445
557 G A -1.5758
558 R A -1.9719
559 C A 0.0000
560 V A 0.5144
561 D A -0.3307
562 G A 0.6410
563 I A 1.1945
564 A A 0.1498
565 S A 0.2492
566 F A 0.2257
567 S A 0.0644
568 C A -0.6255
569 A A -0.2138
570 C A -0.8592
571 A A -0.8704
572 P A -0.6261
573 G A 0.0000
574 Y A -0.7584
575 T A -0.7162
576 G A -0.7802
577 T A -0.4196
578 C A -1.1276
579 C A 0.0000
580 E A -1.9300
581 S A -1.3809
582 Q A -1.3952
583 V A -1.0864
584 D A -2.0511
585 E A -2.0117
586 C A -2.1347
587 R A -2.7939
588 S A -1.8505
589 Q A -2.5719
590 P A -1.4725
591 C A -1.7980
592 R A -2.8822
593 H A -1.8774
594 G A -2.1496
595 G A -2.2691
596 K A -2.7572
597 C A -1.7276
598 L A -0.9074
599 D A -1.7909
600 L A -0.1027
601 V A 0.1315
602 D A -1.9773
603 K A -1.7261
604 Y A -0.4692
605 L A 0.5748
606 C A -0.9416
607 R A -2.0389
608 C A -1.3195
609 P A -1.3444
610 S A -0.5628
611 G A -0.8676
612 T A 0.0000
613 T A 0.0896
614 G A 0.3716
615 V A 1.3845
616 N A -0.5346
617 C A 0.0000
618 E A -0.7985
619 V A 0.4604
620 N A -0.8638
621 I A -0.1956
622 D A -2.1907
623 D A -2.8958
624 C A -1.9790
625 A A -1.0567
626 S A -1.2109
627 N A -1.0783
628 P A -0.4455
629 C A -0.0348
630 T A 0.4660
631 F A 1.0685
632 G A 0.5614
633 V A 1.1358
634 C A -0.6784
635 R A -2.5531
636 D A -2.6548
637 G A -2.1476
638 I A -1.0291
639 N A -2.2812
640 R A -3.2279
641 Y A -2.8362
642 D A -2.3545
643 C A 0.0000
644 V A 0.3404
645 C A 0.1626
646 Q A -0.8476
647 P A -1.2991
648 G A 0.0000
649 F A -0.5728
650 T A 0.2472
651 G A 0.2582
652 P A -0.2051
653 L A 0.5895
654 C A 0.0000
655 N A -0.2507
656 V A 0.6953
657 E A -1.4709
658 I A -0.9620
659 N A -1.8043
660 E A -1.7626
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1982 E A -2.2992
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1991 L A 0.0000
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1998 R A -1.5233
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2244 Y A 1.3924
2245 L A 1.8088
2246 T A 0.8689
2247 P A -0.0995
2248 S A -0.8288
2249 P A -1.4426
2250 E A -2.5375
2251 S A -1.9997
2252 P A -1.8791
2253 E A -2.4662
2254 H A -1.4161
2255 W A 0.0911
2256 A A -0.1595
2257 S A -0.5875
2258 P A -0.5703
2259 S A -0.6077
2260 P A -0.5019
2261 P A -0.1828
2262 S A 0.0290
2263 L A 0.9102
2264 S A 0.0667
2265 D A -1.0897
2266 W A -0.2437
2267 S A -1.1229
2268 E A -1.9522
2269 S A -1.1353
2270 T A -0.9320
2271 P A -0.7306
2272 S A -0.4936
2273 P A -0.4096
2274 A A -0.1840
2275 T A -0.1706
2276 A A -0.1386
2277 T A -0.2666
2278 G A -0.2487
2279 A A 0.3458
2280 M A 0.9980
2281 A A 0.5417
2282 T A 0.1548
2283 T A -0.2369
2284 T A -0.3356
2285 G A -0.1958
2286 A A 0.5355
2287 L A 1.2520
2288 P A 0.1914
2289 A A -0.1588
2290 Q A -0.8394
2291 P A 0.0077
2292 L A 1.3872
2293 P A 1.2001
2294 L A 2.1070
2295 S A 1.4432
2296 V A 1.8540
2297 P A 0.5644
2298 S A 0.3109
2299 S A 0.3877
2300 L A 1.1568
2301 A A 0.1539
2302 Q A -1.0660
2303 A A -1.2093
2304 Q A -1.7200
2305 T A -0.8923
2306 Q A -0.8278
2307 L A 0.5342
2308 G A -0.4140
2309 P A -0.8375
2310 Q A -1.6046
2311 P A -1.4397
2312 E A -1.3470
2313 V A 0.3699
2314 T A -0.1612
2315 P A -1.3720
2316 K A -2.8554
2317 R A -3.0265
2318 Q A -1.3190
2319 V A 1.5734
2320 L A 2.1836
2321 A A 1.1381
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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 -0.0724 6.898 View CSV PDB
4.5 -0.1568 6.898 View CSV PDB
5.0 -0.2589 6.898 View CSV PDB
5.5 -0.3643 6.898 View CSV PDB
6.0 -0.4607 6.898 View CSV PDB
6.5 -0.5402 6.898 View CSV PDB
7.0 -0.6025 6.898 View CSV PDB
7.5 -0.653 6.898 View CSV PDB
8.0 -0.6955 6.898 View CSV PDB
8.5 -0.7284 6.898 View CSV PDB
9.0 -0.7479 6.898 View CSV PDB