Project name: C484Y

Status: done

Started: 2026-05-06 07:01:53
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVRKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:20)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4c921cdb17b5e65/tmp/folded.pdb                (00:23:20)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:16)
Show buried residues

Minimal score value
-4.7888
Maximal score value
5.714
Average score
-0.7597
Total score value
-1763.2985

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 0.7124
2 G A -0.1950
3 P A -0.6311
4 G A -0.9636
5 A A -1.3455
6 R A -2.5359
7 G A -2.6848
8 R A -3.8106
9 R A -4.3372
10 R A -4.5804
11 R A -4.5643
12 R A -4.2263
13 R A -3.0234
14 P A -1.1464
15 M A 0.3456
16 S A 0.0647
17 P A -0.2868
18 P A -0.6165
19 P A -0.6110
20 P A -0.6290
21 P A -0.4395
22 P A -0.3630
23 P A -0.0267
24 V A 0.8752
25 R A -0.6822
26 A A 0.5410
27 L A 1.8072
28 P A 1.6704
29 L A 3.2304
30 L A 3.8593
31 L A 3.8708
32 L A 3.6818
33 L A 2.8017
34 A A 1.1372
35 G A -0.0016
36 P A -0.4325
37 G A -0.6574
38 A A -0.2850
39 A A -0.3988
40 A A -0.7654
41 P A -0.4545
42 P A -0.8765
43 C A -0.6615
44 L A 0.4193
45 D A -1.3233
46 G A -1.0249
47 S A -1.1236
48 P A 0.0000
49 C A -1.4294
50 A A -1.4291
51 N A -1.6976
52 G A -1.2990
53 G A 0.0000
54 R A -1.6751
55 C A 0.0000
56 T A -0.5499
57 Q A -1.2544
58 L A -0.7671
59 P A -1.0425
60 S A -1.6076
61 R A -2.8241
62 E A -2.7500
63 A A -1.4952
64 A A -1.2193
65 C A -0.8567
66 L A 0.4843
67 C A -0.3763
68 P A -0.1994
69 P A -0.4594
70 G A -1.0282
71 W A -0.9364
72 V A -0.9020
73 G A -1.0800
74 E A -2.1518
75 R A -2.3055
76 C A 0.0000
77 Q A -1.8370
78 L A -1.5512
79 E A -2.2861
80 D A -1.6741
81 P A -1.4215
82 C A -1.0616
83 H A -1.6571
84 S A -1.1426
85 G A -0.8446
86 P A -0.3731
87 C A -0.7767
88 A A -0.5183
89 G A -0.9946
90 R A -1.8102
91 G A -1.1010
92 V A 0.3956
93 C A -0.4145
94 Q A -1.2218
95 S A -0.6992
96 S A -0.1947
97 V A 0.6322
98 V A 1.5628
99 A A 0.6197
100 G A -0.2172
101 T A -0.1213
102 A A 0.0000
103 R A -1.3574
104 F A -0.6976
105 S A -0.9458
106 C A -1.0234
107 R A -1.7953
108 C A -1.1085
109 P A -1.2732
110 R A -1.9673
111 G A -0.4200
112 F A -0.2919
113 R A -0.7454
114 G A -0.6029
115 P A -0.7696
116 D A -0.7782
117 C A 0.0000
118 S A -0.1067
119 L A 0.3485
120 P A 0.0302
121 D A -0.2336
122 P A -0.0092
123 C A 0.2168
124 L A 0.4989
125 S A 0.1405
126 S A -0.2208
127 P A -0.4350
128 C A -1.1890
129 A A -1.6794
130 H A -1.7485
131 G A -1.3132
132 A A -1.5888
133 R A -1.8833
134 C A -0.3348
135 S A -0.1266
136 V A 0.1425
137 G A -0.5287
138 P A -1.0511
139 D A -1.9177
140 G A -1.4063
141 R A -1.8702
142 F A -0.5531
143 L A 0.0772
144 C A -0.7664
145 S A -0.9554
146 C A -1.3636
147 P A -0.8385
148 P A -0.5204
149 G A -0.8336
150 Y A -1.8599
151 Q A -2.4543
152 G A -2.4992
153 R A -2.4060
154 S A -1.9341
155 C A 0.0000
156 R A -2.9766
157 S A -2.3307
158 D A -1.9915
159 V A -1.1345
160 D A -1.0742
161 E A -1.3793
162 C A -1.4027
163 R A -1.6591
164 V A 0.1620
165 G A -0.9943
166 E A -2.3709
167 P A -1.7788
168 C A 0.0000
169 R A -3.0568
170 H A -2.1407
171 G A -1.7020
172 G A -1.7732
173 T A -1.3004
174 C A -1.4754
175 L A -0.7790
176 N A -1.1739
177 T A -0.8029
178 P A -0.9609
179 G A -1.0967
180 S A -0.8174
181 F A -0.9336
182 R A -1.8834
183 C A -1.6469
184 Q A -1.5610
185 C A -1.2717
186 P A -0.6334
187 A A 0.0278
188 G A 0.0885
189 Y A -0.4397
190 T A -0.7202
191 G A -0.9374
192 P A -1.0891
193 L A -1.3807
194 C A 0.0000
195 E A -1.9316
196 N A -1.5963
197 P A -0.4065
198 A A 0.2942
199 V A 0.9617
200 P A -0.0318
201 C A -0.2508
202 A A 0.2205
203 P A 0.0036
204 S A -0.7165
205 P A -1.1244
206 C A -2.0900
207 R A -2.8499
208 N A -2.0084
209 G A -1.3092
210 G A -1.5286
211 T A -1.1787
212 C A -1.7836
213 R A -2.8524
214 Q A -2.3804
215 S A -1.7455
216 G A -1.3072
217 D A -1.2790
218 L A 0.4138
219 T A -0.5961
220 Y A -1.5355
221 D A -2.6147
222 C A 0.0000
223 A A -0.9018
224 C A -0.8379
225 L A -0.0080
226 P A -0.1359
227 G A -0.7025
228 F A -1.3114
229 E A -2.3835
230 G A -2.0254
231 Q A -2.2772
232 N A -2.2009
233 C A 0.0000
234 E A -2.2254
235 V A -1.1105
236 N A -1.3844
237 V A -1.1859
238 D A -2.0737
239 D A -1.9533
240 C A -1.5171
241 P A -1.3738
242 G A -1.3602
243 H A -1.6567
244 R A -2.0459
245 C A 0.0000
246 L A 0.0253
247 N A -0.6902
248 G A -0.6077
249 G A -0.8335
250 T A -0.6534
251 C A -0.8735
252 V A -0.4326
253 D A -1.0396
254 G A -0.4249
255 V A 0.4810
256 N A -0.9408
257 T A -0.7807
258 Y A -1.3746
259 N A -1.8338
260 C A -1.3410
261 Q A -1.4138
262 C A -1.0732
263 P A -0.6102
264 P A -0.7010
265 E A -1.0935
266 W A -1.1202
267 T A -1.3128
268 G A -1.4119
269 Q A -1.8809
270 F A -1.3870
271 C A 0.0000
272 T A -1.2279
273 E A -2.0815
274 D A -1.4386
275 V A -0.8898
276 D A -0.8909
277 E A -0.8618
278 C A -0.7594
279 Q A -1.0782
280 L A -0.0051
281 Q A -1.4600
282 P A -1.4862
283 N A -2.1366
284 A A -1.3149
285 C A 0.0000
286 H A -1.9832
287 N A -1.5258
288 G A -0.8078
289 G A 0.0171
290 T A 0.7664
291 C A 0.4331
292 F A 1.4994
293 N A -0.0094
294 T A 0.3879
295 L A 0.7033
296 G A -0.4150
297 G A -0.2013
298 H A -0.2979
299 S A 0.1436
300 C A 0.7401
301 V A 2.0563
302 C A 0.6898
303 V A 1.2279
304 N A -0.0433
305 G A 0.0000
306 W A -0.3071
307 T A -0.7921
308 G A -1.2967
309 E A -2.0117
310 S A -1.4998
311 C A 0.0000
312 S A -1.6357
313 Q A -1.9518
314 N A -1.2931
315 I A -0.7986
316 D A -1.9752
317 D A -0.9553
318 C A -0.4256
319 A A -0.2303
320 T A 0.0066
321 A A 0.8122
322 V A 1.8944
323 C A 1.6044
324 F A 0.9687
325 H A -0.6402
326 G A -0.5054
327 A A 0.2181
328 T A 0.2580
329 C A 0.4848
330 H A -0.7461
331 D A -1.2612
332 R A -1.4085
333 V A 0.1680
334 A A -0.1913
335 S A -0.4596
336 F A 0.2361
337 Y A 1.0606
338 C A 0.0000
339 A A 0.6160
340 C A 0.5392
341 P A 0.1463
342 M A 0.8056
343 G A -0.0533
344 K A -1.0168
345 T A -0.6711
346 G A 0.4462
347 L A 2.1837
348 L A 1.6675
349 C A 0.0000
350 H A -0.0824
351 L A -0.8330
352 D A -2.0157
353 D A -1.1659
354 A A -0.7301
355 C A -0.0939
356 V A 0.8479
357 S A -0.0024
358 N A -0.9115
359 P A -0.6032
360 C A -1.2067
361 H A -2.1272
362 E A -2.8778
363 D A -2.3868
364 A A -0.8812
365 I A 0.9460
366 C A -0.0044
367 D A -0.9039
368 T A 0.0000
369 N A 0.0000
370 P A 0.2656
371 V A 1.2875
372 N A -0.3803
373 G A -0.8408
374 R A -0.9149
375 A A -0.3909
376 I A 0.4149
377 C A 0.2610
378 T A 0.4050
379 C A -0.2166
380 P A 0.0000
381 P A -0.4414
382 G A -0.7300
383 F A -1.3354
384 T A -0.9930
385 G A -1.1243
386 G A -0.7820
387 A A -1.0552
388 C A 0.0000
389 D A -2.8518
390 Q A -2.4390
391 D A -1.9543
392 V A -0.8928
393 D A -0.8349
394 E A -0.1852
395 C A -0.1043
396 S A 0.1828
397 I A 1.2748
398 G A 0.1946
399 A A -0.4620
400 N A -1.4749
401 P A -1.0406
402 C A 0.0000
403 E A -2.6046
404 H A -1.5964
405 L A -0.1115
406 G A 0.0000
407 R A -2.1966
408 C A 0.0000
409 V A 0.0487
410 N A -0.4639
411 T A -0.4832
412 Q A -1.5166
413 G A -1.2682
414 S A -0.3169
415 F A 0.3082
416 L A 0.5110
417 C A -1.1430
418 Q A -1.6159
419 C A -1.7254
420 G A -1.3583
421 R A -1.8912
422 G A 0.0000
423 Y A -1.3553
424 T A -1.6789
425 G A -1.5856
426 P A -1.3066
427 R A -2.6735
428 C A 0.0000
429 E A -2.8598
430 T A -2.0057
431 D A -2.2030
432 V A -0.9761
433 N A -1.1045
434 E A -0.9630
435 C A -0.6067
436 L A -0.0845
437 S A -0.3296
438 G A -0.6839
439 P A -0.4465
440 C A -0.7617
441 R A -2.1866
442 N A -1.9129
443 Q A -1.6983
444 A A -0.3750
445 T A 0.2019
446 C A 0.0563
447 L A -0.2194
448 D A -2.1249
449 R A -2.0282
450 I A -0.3286
451 G A 0.0000
452 Q A -1.2987
453 F A -0.6861
454 T A 0.0725
455 C A 0.7928
456 I A 2.0520
457 C A 0.7659
458 M A 0.3703
459 A A 0.3733
460 G A -0.5683
461 F A -0.1068
462 T A 0.0744
463 G A 0.0203
464 T A 0.2827
465 Y A 0.2576
466 C A 0.0000
467 E A -1.0265
468 V A -0.1885
469 D A -1.4370
470 I A -1.1326
471 D A -2.5447
472 E A -3.0126
473 C A 0.0000
474 Q A -2.2138
475 S A -1.3454
476 S A -0.9050
477 P A -0.5075
478 C A -0.3460
479 V A 0.2614
480 N A -0.7036
481 G A -0.4799
482 G A -0.2306
483 V A 0.2724
484 R A -2.3404
485 K A -2.9484
486 D A -2.9627
487 R A -2.5324
488 V A -0.3180
489 N A -1.3156
490 G A -1.2524
491 F A -1.6746
492 S A -1.2289
493 C A -0.5732
494 T A -0.2540
495 C A 0.0694
496 P A -0.3566
497 S A -1.1255
498 G A -2.0949
499 F A -1.1673
500 S A -0.6113
501 G A -0.5138
502 S A -0.2224
503 T A -0.2294
504 C A 0.0000
505 Q A -0.9657
506 L A -0.2792
507 D A -2.5380
508 V A -1.9858
509 D A -2.9821
510 E A -2.8447
511 C A -1.8225
512 A A -1.0198
513 S A -0.7016
514 T A -0.8580
515 P A -0.7422
516 C A 0.0000
517 R A -2.8551
518 N A -2.9074
519 G A -2.2420
520 A A -2.7870
521 K A -2.9796
522 C A 0.0000
523 V A -2.1386
524 D A -3.6427
525 Q A -3.3642
526 P A -2.7692
527 D A -3.0277
528 G A -2.3946
529 Y A -2.3962
530 E A -2.7426
531 C A -2.4219
532 R A -3.0787
533 C A -2.8724
534 A A -1.9222
535 E A -1.8719
536 G A -1.1114
537 F A -2.3344
538 E A -3.0310
539 G A -2.0700
540 T A -1.4763
541 L A -1.7542
542 C A 0.0000
543 D A -3.5445
544 R A -3.4861
545 N A -2.3858
546 V A -1.6842
547 D A -2.3696
548 D A -1.5935
549 C A -1.8432
550 S A -1.6844
551 P A -1.6073
552 D A -2.7721
553 P A -1.9853
554 C A 0.0000
555 H A -2.6259
556 H A -2.0855
557 G A -1.9089
558 R A -2.2825
559 C A -1.4045
560 V A -0.3870
561 D A -1.0148
562 G A 0.2419
563 I A 0.9582
564 A A -0.0576
565 S A 0.0242
566 F A -0.2137
567 S A -0.3928
568 C A -1.2232
569 A A -0.5512
570 C A -1.1481
571 A A -0.8819
572 P A -0.6787
573 G A 0.0000
574 Y A -1.2262
575 T A -1.1204
576 G A -1.3713
577 T A -1.0809
578 R A -2.4508
579 C A 0.0000
580 E A -2.8538
581 S A -1.9803
582 Q A -1.7363
583 V A -1.5813
584 D A -2.5059
585 E A -2.3071
586 C A 0.0000
587 R A -2.9579
588 S A -1.9448
589 Q A -2.6437
590 P A -1.5077
591 C A -1.8081
592 R A -2.7409
593 H A -1.6161
594 G A -1.9671
595 G A -2.2679
596 K A -2.8351
597 C A 0.0000
598 L A -1.0517
599 D A -1.9140
600 L A -0.0273
601 V A 0.1310
602 D A -2.0256
603 K A -1.7907
604 Y A -0.8062
605 L A 0.2930
606 C A -1.0883
607 R A -2.1037
608 C A -1.3135
609 P A -1.2301
610 S A -0.4966
611 G A -0.7675
612 T A 0.0000
613 T A 0.0418
614 G A 0.3861
615 V A 1.3785
616 N A -0.4881
617 C A 0.0000
618 E A -0.6651
619 V A 0.5921
620 N A -0.7904
621 I A -0.4915
622 D A -2.3068
623 D A -2.9073
624 C A -2.1167
625 A A -1.1293
626 S A -1.2136
627 N A -1.1445
628 P A -0.5183
629 C A -0.1830
630 T A 0.2825
631 F A 0.7730
632 G A 0.2933
633 V A 0.7278
634 C A -0.9120
635 R A -2.6864
636 D A -2.6504
637 G A -1.8894
638 I A -0.3945
639 N A -2.0075
640 R A -3.0630
641 Y A -2.7535
642 D A -2.4164
643 C A 0.0000
644 V A 0.2635
645 C A 0.2127
646 Q A -1.0748
647 P A -1.3136
648 G A 0.0000
649 F A -0.6876
650 T A 0.1667
651 G A 0.1996
652 P A -0.1956
653 L A 0.5343
654 C A 0.0000
655 N A -0.4275
656 V A 0.5054
657 E A -1.6342
658 I A -0.9465
659 N A -1.8829
660 E A -1.8492
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1973 E A 0.0000
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1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -2.2407
1982 E A -2.3296
1983 G A -1.6154
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1986 E A -1.8043
1987 A A 0.0000
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1990 L A -0.9848
1991 L A 0.0000
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1993 D A -1.6040
1994 H A -0.6864
1995 F A 0.6196
1996 A A 0.0000
1997 N A -1.1727
1998 R A -1.6138
1999 E A -2.3161
2000 I A -1.4680
2001 T A -1.7316
2002 D A 0.0000
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2008 P A 0.0000
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2010 D A -2.1834
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2405
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2016 L A -0.5890
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2018 Q A -2.1137
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2246 T A 0.8471
2247 P A 0.0281
2248 S A -0.9610
2249 P A -1.4199
2250 E A -2.3693
2251 S A -1.9576
2252 P A -1.8435
2253 E A -2.4670
2254 H A -1.4576
2255 W A 0.2390
2256 A A 0.0676
2257 S A -0.1018
2258 P A -0.5245
2259 S A -0.5893
2260 P A -0.5983
2261 P A -0.2067
2262 S A 0.4262
2263 L A 0.8905
2264 S A -0.0862
2265 D A -1.1970
2266 W A -0.3372
2267 S A -0.9988
2268 E A -1.9728
2269 S A -1.2962
2270 T A -0.8808
2271 P A -0.6978
2272 S A -0.5068
2273 P A -0.4110
2274 A A -0.1692
2275 T A -0.0844
2276 A A -0.1258
2277 T A -0.2806
2278 G A -0.2198
2279 A A 0.3374
2280 M A 0.9869
2281 A A 0.5621
2282 T A 0.1098
2283 T A -0.1192
2284 T A -0.1630
2285 G A -0.0879
2286 A A 0.4982
2287 L A 1.1704
2288 P A 0.0959
2289 A A -0.1252
2290 Q A -0.8007
2291 P A 0.0232
2292 L A 1.2883
2293 P A 1.2403
2294 L A 2.0666
2295 S A 1.4435
2296 V A 1.8509
2297 P A 0.7637
2298 S A 0.4108
2299 S A 0.4383
2300 L A 1.0812
2301 A A 0.0067
2302 Q A -1.1184
2303 A A -1.0719
2304 Q A -1.6731
2305 T A -1.0231
2306 Q A -0.9794
2307 L A 0.3260
2308 G A -0.5302
2309 P A -1.1912
2310 Q A -1.5685
2311 P A -1.3711
2312 E A -1.4737
2313 V A 0.3356
2314 T A -0.6351
2315 P A -1.5553
2316 K A -2.7227
2317 R A -2.8161
2318 Q A -1.6814
2319 V A 0.4448
2320 L A 1.5128
2321 A A 0.9712
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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 -0.0791 7.2592 View CSV PDB
4.5 -0.1642 7.1929 View CSV PDB
5.0 -0.2671 7.132 View CSV PDB
5.5 -0.3734 7.132 View CSV PDB
6.0 -0.4711 7.132 View CSV PDB
6.5 -0.5521 7.132 View CSV PDB
7.0 -0.6157 7.132 View CSV PDB
7.5 -0.6674 7.132 View CSV PDB
8.0 -0.7108 7.132 View CSV PDB
8.5 -0.7443 7.132 View CSV PDB
9.0 -0.7643 7.132 View CSV PDB