Project name: C466W_5

Status: done

Started: 2026-05-19 00:21:06
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYWEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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.  (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:36)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:31:56)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/24fd84aacd8c5db/tmp/folded.pdb                (00:31:56)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:21)
Show buried residues

Minimal score value
-2.5195
Maximal score value
2.6143
Average score
-0.2787
Total score value
-646.8308

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 0.9682
2 G A -0.3195
3 P A -0.4222
4 G A -0.5013
5 A A -0.3609
6 R A -1.9169
7 G A -1.1246
8 R A -2.2525
9 R A -2.5093
10 R A -2.5195
11 R A -2.5174
12 R A -2.5141
13 R A -2.2224
14 P A -0.3975
15 M A 0.9684
16 S A -0.0665
17 P A -0.3385
18 P A -0.3461
19 P A -0.3465
20 P A -0.3464
21 P A -0.3465
22 P A -0.3468
23 P A 0.0245
24 V A 1.3907
25 R A -1.5109
26 A A 0.0001
27 L A 1.5124
28 P A 0.3084
29 L A 1.7856
30 L A 2.1117
31 L A 2.1103
32 L A 2.1157
33 L A 1.8432
34 A A 0.2557
35 G A -0.5018
36 P A -0.4258
37 G A -0.5027
38 A A -0.0160
39 A A 0.0788
40 A A 0.0528
41 P A -0.0642
42 P A -0.1140
43 C A 0.0000
44 L A 0.9036
45 D A -1.2679
46 G A -0.7298
47 S A -0.2028
48 P A -0.2528
49 C A -0.0202
50 A A -0.1220
51 N A -0.9556
52 G A -0.6356
53 G A -0.4418
54 R A -1.8342
55 C A -0.2271
56 T A -0.2212
57 Q A -1.0942
58 L A 0.3103
59 P A -0.1892
60 S A -0.5862
61 R A -2.2183
62 E A -2.1608
63 A A 0.0000
64 A A 0.0290
65 C A 0.3750
66 L A 1.6015
67 C A 0.4853
68 P A -0.0750
69 P A -0.2786
70 G A -0.0663
71 W A 0.1707
72 V A 0.2912
73 G A -0.3788
74 E A -1.9225
75 R A -0.7978
76 C A 0.0000
77 Q A -0.5432
78 L A -0.2181
79 E A -1.7783
80 D A -0.5799
81 P A -0.0689
82 C A -0.0728
83 H A -1.0082
84 S A -0.4765
85 G A -0.5154
86 P A -0.1313
87 C A -0.0155
88 A A -0.0084
89 G A -0.5959
90 R A -1.9039
91 G A -0.0459
92 V A 1.7894
93 C A 0.2940
94 Q A -1.0586
95 S A -0.1498
96 S A -0.0008
97 V A 1.0983
98 V A 1.8863
99 A A 0.2898
100 G A -0.4647
101 T A -0.1336
102 A A 0.0000
103 R A -1.6965
104 F A 0.4047
105 S A -0.0493
106 C A -0.2742
107 R A -1.7839
108 C A -0.1324
109 P A -0.3766
110 R A -1.8757
111 G A -0.2380
112 F A 0.9320
113 R A -0.1899
114 G A -0.3163
115 P A -0.4279
116 D A -0.7902
117 C A 0.0000
118 S A -0.0375
119 L A 0.8786
120 P A -0.0164
121 D A -0.4556
122 P A -0.1086
123 C A 0.2040
124 L A 0.5536
125 S A -0.1469
126 S A -0.2594
127 P A -0.0724
128 C A 0.0747
129 A A -0.1234
130 H A -0.9153
131 G A -0.6152
132 A A -0.3919
133 R A -1.8125
134 C A -0.2087
135 S A -0.0888
136 V A 0.4936
137 G A 0.0015
138 P A -0.5146
139 D A -1.4671
140 G A -0.7356
141 R A -1.8197
142 F A 0.1896
143 L A 1.0949
144 C A 0.2670
145 S A -0.1494
146 C A 0.1949
147 P A -0.0728
148 P A -0.2802
149 G A -0.0981
150 Y A -0.1456
151 Q A -1.2546
152 G A -1.0211
153 R A -1.9329
154 S A -0.3462
155 C A 0.0000
156 R A -1.8831
157 S A -0.6602
158 D A -0.5542
159 V A 0.1170
160 D A -0.5789
161 E A -0.9874
162 C A -0.3470
163 R A -1.4933
164 V A 1.3923
165 G A -0.2460
166 E A -1.8738
167 P A -0.3882
168 C A 0.0000
169 R A -2.0024
170 H A -1.2907
171 G A -0.6326
172 G A -0.1333
173 T A -0.0567
174 C A 0.2795
175 L A 0.7156
176 N A -0.3136
177 T A -0.1020
178 P A -0.2692
179 G A -0.1581
180 S A -0.0973
181 F A -0.0393
182 R A -1.7522
183 C A -0.4565
184 Q A -1.1486
185 C A -0.0707
186 P A -0.0681
187 A A 0.0104
188 G A -0.0651
189 Y A 0.3492
190 T A 0.0323
191 G A -0.2183
192 P A -0.2127
193 L A 0.3622
194 C A 0.0000
195 E A -0.6464
196 N A -1.3567
197 P A -0.4153
198 A A 0.2602
199 V A 1.3902
200 P A 0.0000
201 C A 0.1371
202 A A -0.0124
203 P A -0.2670
204 S A -0.1708
205 P A -0.0791
206 C A 0.0000
207 R A -1.9862
208 N A -1.1924
209 G A -0.6119
210 G A -0.1136
211 T A -0.0603
212 C A -0.2346
213 R A -2.0274
214 Q A -1.4119
215 S A -0.4018
216 G A -0.5713
217 D A -1.5473
218 L A 1.2135
219 T A 0.2587
220 Y A -0.1474
221 D A -1.5798
222 C A -0.1854
223 A A 0.0868
224 C A 0.4018
225 L A 0.9208
226 P A -0.0971
227 G A -0.2735
228 F A -0.1667
229 E A -1.8403
230 G A -0.8963
231 Q A -1.2938
232 N A -0.3949
233 C A 0.0000
234 E A -0.6214
235 V A 0.9300
236 N A -0.0254
237 V A 0.2728
238 D A -1.7549
239 D A -0.8090
240 C A -0.0461
241 P A -0.3245
242 G A -0.5975
243 H A -0.8858
244 R A -1.9158
245 C A 0.0224
246 L A 1.2348
247 N A -0.6230
248 G A -0.6168
249 G A -0.1205
250 T A -0.0620
251 C A 0.2912
252 V A 1.0047
253 D A -0.4374
254 G A 0.0914
255 V A 1.5159
256 N A -0.9737
257 T A -0.2623
258 Y A -0.1216
259 N A -1.2170
260 C A -0.3669
261 Q A -1.1550
262 C A -0.0855
263 P A -0.0744
264 P A -0.3835
265 E A -0.6899
266 W A -0.0546
267 T A -0.2313
268 G A -0.4220
269 Q A -1.1834
270 F A 0.0760
271 C A 0.0000
272 T A -0.3882
273 E A -1.9379
274 D A -0.8511
275 V A -0.0209
276 D A -0.5190
277 E A -0.1866
278 C A -0.1524
279 Q A -0.8964
280 L A 1.0840
281 Q A -0.9622
282 P A -0.7007
283 N A -1.3179
284 A A -0.2226
285 C A 0.0000
286 H A -0.9191
287 N A -1.0377
288 G A -0.6239
289 G A -0.1374
290 T A -0.0406
291 C A 0.2220
292 F A 0.4249
293 N A -0.5970
294 T A -0.0190
295 L A 0.8538
296 G A -0.0673
297 G A -0.1597
298 H A -0.5101
299 S A -0.2585
300 C A 0.1389
301 V A 0.4072
302 C A 0.2734
303 V A 0.3800
304 N A -0.7749
305 G A 0.0000
306 W A 0.1094
307 T A -0.0340
308 G A -0.5143
309 E A -1.8636
310 S A -0.3907
311 C A 0.0000
312 S A -0.4124
313 Q A -1.3079
314 N A -0.4394
315 I A 0.4914
316 D A -1.7268
317 D A -0.8761
318 C A 0.0282
319 A A 0.0675
320 T A -0.0585
321 A A 0.3154
322 V A 1.6794
323 C A 0.6277
324 F A 0.7952
325 H A -0.9002
326 G A -0.6448
327 A A -0.0596
328 T A -0.0400
329 C A 0.0845
330 H A -0.3722
331 D A -0.7917
332 R A -1.6935
333 V A 0.9875
334 A A 0.2385
335 S A -0.2219
336 F A 0.4975
337 Y A 0.9186
338 C A 0.0000
339 A A 0.0756
340 C A 0.2713
341 P A 0.1524
342 M A 1.0193
343 G A -0.0338
344 K A -0.7913
345 T A -0.1162
346 G A 0.1013
347 L A 1.1616
348 L A 0.5117
349 C A 0.0000
350 H A -0.3971
351 L A -0.2060
352 D A -1.8906
353 D A -0.8145
354 A A -0.0500
355 C A 0.1321
356 V A 0.9306
357 S A -0.2687
358 N A -1.3102
359 P A -0.2714
360 C A 0.0000
361 H A -0.4332
362 E A -2.1635
363 D A -2.1183
364 A A 0.0768
365 I A 2.0379
366 C A 0.2220
367 D A -1.7584
368 T A 0.0000
369 N A 0.0000
370 P A -0.0512
371 V A 0.9032
372 N A -1.0728
373 G A -0.4424
374 R A -0.7393
375 A A -0.0071
376 I A 0.6861
377 C A 0.2109
378 T A 0.1822
379 C A 0.1776
380 P A -0.0356
381 P A -0.2686
382 G A -0.0428
383 F A 0.1694
384 T A -0.1141
385 G A -0.2415
386 G A -0.4936
387 A A 0.0000
388 C A 0.0000
389 D A -0.3366
390 Q A -0.9434
391 D A -0.4468
392 V A 0.0544
393 D A -0.8425
394 E A -0.3450
395 C A 0.0598
396 S A 0.1774
397 I A 1.8893
398 G A -0.0686
399 A A -0.2139
400 N A -1.0171
401 P A -0.2120
402 C A 0.0000
403 E A -1.0973
404 H A -0.2971
405 L A 1.4771
406 G A 0.0000
407 R A -1.9665
408 C A 0.0000
409 V A 0.4534
410 N A -0.1993
411 T A -0.1900
412 Q A -0.8716
413 G A -0.2607
414 S A -0.0591
415 F A 0.7087
416 L A 1.3670
417 C A 0.0000
418 Q A -1.3450
419 C A -0.0595
420 G A -0.5998
421 R A -1.8996
422 G A 0.0000
423 Y A -0.1052
424 T A -0.0464
425 G A -0.2069
426 P A -0.5496
427 R A -1.5351
428 C A 0.0000
429 E A -0.8630
430 T A -0.5367
431 D A -1.6683
432 V A 0.1674
433 N A -0.6212
434 E A -0.8200
435 C A 0.2463
436 L A 1.5271
437 S A -0.0154
438 G A -0.5125
439 P A -0.1104
440 C A -0.1027
441 R A -1.6637
442 N A -0.7993
443 Q A -1.2485
444 A A -0.2130
445 T A -0.0446
446 C A 0.2199
447 L A 0.3562
448 D A -1.3079
449 R A -1.6715
450 I A 1.6695
451 G A 0.0000
452 Q A -1.1442
453 F A -0.0812
454 T A 0.0024
455 C A 0.0000
456 I A 1.7445
457 C A 0.4834
458 M A 0.4445
459 A A 0.1189
460 G A -0.2483
461 F A -0.0507
462 T A -0.0222
463 G A -0.2349
464 T A 0.0621
465 Y A 1.0075
466 W A 0.2905
467 E A -0.2075
468 V A 0.7784
469 D A -1.4112
470 I A 0.0645
471 D A -1.6339
472 E A -1.1862
473 C A -0.2813
474 Q A -1.2194
475 S A -0.4694
476 S A -0.2584
477 P A -0.0657
478 C A 0.2434
479 V A 0.8436
480 N A -0.7852
481 G A -0.6362
482 G A 0.2036
483 V A 1.7892
484 C A 0.1722
485 K A -1.7594
486 D A -1.0441
487 R A -1.6053
488 V A 1.2036
489 N A -0.9771
490 G A -0.2256
491 F A 0.5152
492 S A 0.0843
493 C A 0.0982
494 T A -0.0176
495 C A 0.1446
496 P A -0.1116
497 S A -0.2418
498 G A -0.3540
499 F A 0.0190
500 S A -0.1110
501 G A -0.4223
502 S A -0.2816
503 T A -0.0419
504 C A 0.0000
505 Q A -0.9672
506 L A 0.7003
507 D A -1.3909
508 V A 0.0467
509 D A -1.7157
510 E A -0.7194
511 C A 0.0300
512 A A 0.0365
513 S A -0.2148
514 T A -0.1161
515 P A -0.0542
516 C A 0.0000
517 R A -1.9322
518 N A -0.9030
519 G A -0.5514
520 A A -0.3570
521 K A -1.6840
522 C A -0.1371
523 V A 0.1622
524 D A -1.7804
525 Q A -1.3238
526 P A -0.7514
527 D A -1.8650
528 G A -0.4149
529 Y A 0.0932
530 E A -1.4825
531 C A -0.5412
532 R A -1.7809
533 C A -0.0819
534 A A -0.2643
535 E A -1.8271
536 G A -0.3330
537 F A -0.1656
538 E A -1.8538
539 G A -0.8119
540 T A -0.0286
541 L A 0.6956
542 C A 0.0000
543 D A -1.1165
544 R A -2.1350
545 N A -1.0044
546 V A 0.1555
547 D A -1.7098
548 D A -1.0078
549 C A -0.2621
550 S A -0.2648
551 P A -0.6312
552 D A -1.8296
553 P A -0.3485
554 C A -0.1697
555 H A -0.6582
556 H A -0.9188
557 G A -0.5924
558 R A -1.8550
559 C A 0.0596
560 V A 1.3986
561 D A -0.5553
562 G A 0.0253
563 I A 1.9906
564 A A 0.3618
565 S A -0.0669
566 F A 0.4677
567 S A -0.0755
568 C A 0.0868
569 A A 0.1242
570 C A 0.2901
571 A A 0.0349
572 P A -0.2610
573 G A -0.2431
574 Y A 0.0577
575 T A -0.0536
576 G A -0.2715
577 T A -0.3142
578 R A -1.1105
579 C A 0.0000
580 E A -1.5163
581 S A -0.5764
582 Q A -1.0237
583 V A 0.4021
584 D A -1.3732
585 E A -0.6741
586 C A 0.0000
587 R A -1.8837
588 S A -0.7688
589 Q A -1.2429
590 P A -0.2425
591 C A -0.3062
592 R A -1.9042
593 H A -0.8201
594 G A -0.5473
595 G A -0.4169
596 K A -1.7103
597 C A 0.0000
598 L A -0.0111
599 D A -1.5405
600 L A 0.5483
601 V A 1.5792
602 D A -1.7777
603 K A -1.8584
604 Y A 0.2099
605 L A 1.3053
606 C A -0.0323
607 R A -1.7822
608 C A -0.0999
609 P A -0.0827
610 S A -0.2442
611 G A -0.3156
612 T A 0.0000
613 T A -0.0916
614 G A 0.0885
615 V A 1.6852
616 N A 0.0843
617 C A 0.0000
618 E A -0.3896
619 V A 0.8531
620 N A -0.3519
621 I A 1.1501
622 D A -1.6368
623 D A -1.1074
624 C A -0.0502
625 A A 0.0360
626 S A -0.4302
627 N A -1.3193
628 P A -0.2577
629 C A 0.1420
630 T A 0.1919
631 F A 1.3396
632 G A 0.3963
633 V A 1.1153
634 C A 0.0000
635 R A -1.9697
636 D A -0.9642
637 G A -0.2748
638 I A 0.5431
639 N A -1.4812
640 R A -1.9893
641 Y A -0.1593
642 D A -1.3804
643 C A 0.0979
644 V A 1.5621
645 C A 0.2225
646 Q A -1.0587
647 P A -0.6111
648 G A -0.2950
649 F A -0.0218
650 T A -0.0083
651 G A -0.1976
652 P A -0.1460
653 L A 0.7130
654 C A 0.0000
655 N A -0.9719
656 V A 1.1249
657 E A -1.2735
658 I A 0.4899
659 N A -1.1275
660 E A -0.5186
661 C A 0.0660
662 A A 0.0395
663 S A -0.2412
664 S A -0.2606
665 P A -0.0711
666 C A 0.1437
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1975 P A 0.0000
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1982 E A -1.5485
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1991 L A 0.0000
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1993 D A -1.7745
1994 H A -0.3055
1995 F A 1.3428
1996 A A 0.0000
1997 N A -0.4580
1998 R A -0.7856
1999 E A -1.8300
2000 I A -0.0027
2001 T A -0.1453
2002 D A 0.0000
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2008 P A 0.0000
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2010 D A -1.1577
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2947
2015 R A -1.7636
2016 L A 1.1043
2017 H A -0.1503
2018 Q A -1.3687
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2265 D A -1.5973
2266 W A 0.7982
2267 S A -0.3316
2268 E A -1.9009
2269 S A -0.5760
2270 T A -0.1578
2271 P A -0.3067
2272 S A -0.3074
2273 P A -0.2842
2274 A A -0.0010
2275 T A -0.0493
2276 A A 0.0313
2277 T A -0.1455
2278 G A -0.4681
2279 A A 0.1759
2280 M A 1.0762
2281 A A 0.2484
2282 T A -0.0731
2283 T A -0.1017
2284 T A -0.1767
2285 G A -0.4686
2286 A A 0.2644
2287 L A 1.5101
2288 P A 0.0523
2289 A A -0.2734
2290 Q A -1.2324
2291 P A -0.1855
2292 L A 1.4469
2293 P A 0.3748
2294 L A 1.4518
2295 S A 0.4706
2296 V A 1.6816
2297 P A 0.0298
2298 S A -0.3100
2299 S A 0.1215
2300 L A 1.5072
2301 A A 0.0582
2302 Q A -1.1733
2303 A A -0.4459
2304 Q A -1.1980
2305 T A -0.5258
2306 Q A -0.8469
2307 L A 1.1800
2308 G A -0.2463
2309 P A -0.5958
2310 Q A -1.2968
2311 P A -0.9036
2312 E A -1.5528
2313 V A 1.4241
2314 T A 0.2629
2315 P A -0.6576
2316 K A -2.0990
2317 R A -2.3783
2318 Q A -1.1404
2319 V A 1.7863
2320 L A 1.8844
2321 A A 0.4270
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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 -0.0038 4.665 View CSV PDB
4.5 -0.0357 4.665 View CSV PDB
5.0 -0.0743 4.665 View CSV PDB
5.5 -0.1142 4.665 View CSV PDB
6.0 -0.1501 4.665 View CSV PDB
6.5 -0.1791 4.665 View CSV PDB
7.0 -0.2009 4.665 View CSV PDB
7.5 -0.218 4.665 View CSV PDB
8.0 -0.2318 4.665 View CSV PDB
8.5 -0.242 4.665 View CSV PDB
9.0 -0.2475 4.665 View CSV PDB