Project name: WT_5

Status: done

Started: 2026-06-02 01:56:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:24)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:24)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:54)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/336bb9d2f5448e5/tmp/folded.pdb                (00:23:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:52:56)
Show buried residues

Minimal score value
-2.6613
Maximal score value
2.6752
Average score
-0.2788
Total score value
-647.0608

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 -0.3215
3 P A -0.4279
4 G A -0.5027
5 A A -0.3672
6 R A -1.9195
7 G A -1.1364
8 R A -2.2637
9 R A -2.5092
10 R A -2.5650
11 R A -2.6613
12 R A -2.6135
13 R A -2.2351
14 P A -0.4009
15 M A 0.9665
16 S A -0.0585
17 P A -0.3406
18 P A -0.3510
19 P A -0.3501
20 P A -0.3463
21 P A -0.3481
22 P A -0.3483
23 P A 0.0237
24 V A 1.3906
25 R A -1.5108
26 A A 0.0011
27 L A 1.5120
28 P A 0.3140
29 L A 1.7874
30 L A 2.1222
31 L A 2.1246
32 L A 2.1249
33 L A 1.8464
34 A A 0.2628
35 G A -0.5019
36 P A -0.4271
37 G A -0.5032
38 A A -0.0170
39 A A 0.0751
40 A A 0.0137
41 P A -0.1935
42 P A -0.2125
43 C A 0.4500
44 L A 1.2643
45 D A -1.5965
46 G A -0.8193
47 S A -0.2382
48 P A -0.0416
49 C A -0.0618
50 A A -0.1198
51 N A -0.9460
52 G A -0.6230
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.2393
57 Q A -1.0979
58 L A 0.2935
59 P A -0.1924
60 S A -0.5848
61 R A -2.1597
62 E A -1.8545
63 A A 0.0000
64 A A 0.0258
65 C A 0.3737
66 L A 1.6071
67 C A 0.5106
68 P A -0.0709
69 P A -0.2801
70 G A -0.0926
71 W A 0.0569
72 V A 0.2838
73 G A -0.3610
74 E A -2.0153
75 R A -1.3342
76 C A 0.0000
77 Q A -0.5490
78 L A -0.1829
79 E A -1.7816
80 D A -0.5897
81 P A -0.0717
82 C A -0.0770
83 H A -1.0091
84 S A -0.4765
85 G A -0.5158
86 P A -0.1327
87 C A -0.0002
88 A A 0.0032
89 G A -0.5342
90 R A -1.8932
91 G A -0.0474
92 V A 1.7835
93 C A 0.3697
94 Q A -0.4769
95 S A -0.1006
96 S A -0.1051
97 V A 0.8892
98 V A 1.8941
99 A A 0.2981
100 G A -0.4650
101 T A -0.1354
102 A A 0.0000
103 R A -1.6677
104 F A 0.2517
105 S A -0.0793
106 C A -0.2864
107 R A -1.7872
108 C A -0.1412
109 P A -0.3497
110 R A -1.8625
111 G A -0.2678
112 F A 0.6749
113 R A -0.2659
114 G A -0.2576
115 P A -0.3951
116 D A -0.6775
117 C A 0.0000
118 S A -0.0113
119 L A 0.7196
120 P A -0.0475
121 D A -0.2901
122 P A -0.0761
123 C A 0.3145
124 L A 1.3479
125 S A -0.0002
126 S A -0.2591
127 P A -0.0702
128 C A 0.0673
129 A A -0.1216
130 H A -0.8899
131 G A -0.6102
132 A A -0.3990
133 R A -1.8052
134 C A -0.1717
135 S A -0.0495
136 V A 0.6730
137 G A 0.0339
138 P A -0.5872
139 D A -1.8462
140 G A -0.7127
141 R A -1.7876
142 F A 0.2432
143 L A 0.8226
144 C A 0.2161
145 S A -0.1620
146 C A 0.1301
147 P A -0.0826
148 P A -0.2793
149 G A -0.0990
150 Y A -0.1860
151 Q A -1.2594
152 G A -1.0316
153 R A -1.9399
154 S A -0.3745
155 C A 0.0000
156 R A -1.8836
157 S A -0.6948
158 D A -0.6989
159 V A 0.1923
160 D A -0.3806
161 E A -0.8780
162 C A -0.3576
163 R A -1.4983
164 V A 1.4008
165 G A -0.2012
166 E A -1.8664
167 P A -0.3892
168 C A 0.0000
169 R A -1.9899
170 H A -1.2219
171 G A -0.6215
172 G A -0.1271
173 T A -0.0584
174 C A 0.2344
175 L A 0.5087
176 N A -0.3981
177 T A -0.1111
178 P A -0.2695
179 G A -0.1586
180 S A -0.0952
181 F A -0.0570
182 R A -1.7543
183 C A -0.4598
184 Q A -1.1402
185 C A -0.0261
186 P A -0.0550
187 A A 0.0177
188 G A -0.0317
189 Y A 0.3325
190 T A 0.0207
191 G A -0.2212
192 P A -0.2060
193 L A 0.4024
194 C A 0.0000
195 E A -0.7308
196 N A -1.3421
197 P A -0.4134
198 A A 0.3011
199 V A 1.5784
200 P A 0.2904
201 C A 0.1332
202 A A -0.0116
203 P A -0.2681
204 S A -0.1782
205 P A -0.0663
206 C A -0.3016
207 R A -1.9900
208 N A -1.2871
209 G A -0.6295
210 G A -0.1144
211 T A -0.0605
212 C A -0.2474
213 R A -2.0517
214 Q A -1.5220
215 S A -0.4090
216 G A -0.5267
217 D A -1.5815
218 L A 0.9847
219 T A 0.2410
220 Y A -0.1176
221 D A -1.7091
222 C A 0.0000
223 A A 0.0654
224 C A 0.3935
225 L A 0.9101
226 P A -0.0990
227 G A -0.2943
228 F A -0.1726
229 E A -1.8296
230 G A -0.8346
231 Q A -1.2865
232 N A -0.4120
233 C A 0.0000
234 E A -0.6143
235 V A 1.0057
236 N A -0.0130
237 V A 0.3624
238 D A -1.7873
239 D A -1.0838
240 C A -0.0929
241 P A -0.3241
242 G A -0.5995
243 H A -0.8973
244 R A -1.9309
245 C A 0.0000
246 L A 1.2696
247 N A -0.6357
248 G A -0.6207
249 G A -0.1144
250 T A -0.0616
251 C A 0.2520
252 V A 0.7699
253 D A -0.4900
254 G A 0.1321
255 V A 1.5242
256 N A -0.9711
257 T A -0.2405
258 Y A -0.1167
259 N A -1.2172
260 C A -0.3659
261 Q A -1.1445
262 C A -0.0297
263 P A -0.0678
264 P A -0.3959
265 E A -0.7588
266 W A -0.0357
267 T A -0.0455
268 G A -0.4203
269 Q A -1.1858
270 F A 0.0508
271 C A 0.0000
272 T A -0.3901
273 E A -1.9145
274 D A -0.7423
275 V A -0.0737
276 D A -0.9304
277 E A -0.3763
278 C A -0.1724
279 Q A -0.8957
280 L A 1.0708
281 Q A -0.9630
282 P A -0.7003
283 N A -1.3178
284 A A -0.2231
285 C A 0.0000
286 H A -1.0496
287 N A -1.0648
288 G A -0.6244
289 G A -0.1287
290 T A -0.0447
291 C A 0.4704
292 F A 1.7439
293 N A -0.3270
294 T A 0.0710
295 L A 1.5058
296 G A 0.0289
297 G A -0.1882
298 H A -0.5164
299 S A -0.2541
300 C A 0.4004
301 V A 1.8255
302 C A 0.6779
303 V A 0.7257
304 N A -1.1038
305 G A 0.0000
306 W A 0.1273
307 T A -0.0364
308 G A -0.5592
309 E A -1.8760
310 S A -0.4131
311 C A 0.0000
312 S A -0.4314
313 Q A -1.3034
314 N A -0.3966
315 I A 0.4926
316 D A -1.7109
317 D A -0.7721
318 C A 0.0508
319 A A 0.0681
320 T A -0.0585
321 A A 0.3069
322 V A 1.6287
323 C A 0.6232
324 F A 0.8320
325 H A -0.8943
326 G A -0.6439
327 A A -0.0597
328 T A -0.0384
329 C A 0.0874
330 H A -0.4197
331 D A -0.8056
332 R A -1.6663
333 V A 1.1349
334 A A 0.2762
335 S A -0.2293
336 F A 0.4809
337 Y A 1.0931
338 C A 0.0000
339 A A 0.0760
340 C A 0.2688
341 P A 0.1522
342 M A 1.0207
343 G A -0.0412
344 K A -0.8821
345 T A -0.1311
346 G A 0.1824
347 L A 1.5886
348 L A 0.5806
349 C A 0.0000
350 H A -0.4052
351 L A -0.1721
352 D A -1.8888
353 D A -0.7727
354 A A -0.0384
355 C A 0.3934
356 V A 1.6102
357 S A -0.1439
358 N A -1.3322
359 P A -0.3330
360 C A 0.0204
361 H A -0.5227
362 E A -2.0460
363 D A -1.3690
364 A A 0.2118
365 I A 2.0430
366 C A 0.2140
367 D A -1.7605
368 T A 0.0000
369 N A -0.3990
370 P A 0.0028
371 V A 1.4981
372 N A -0.9697
373 G A -0.6602
374 R A -1.8609
375 A A -0.1883
376 I A 0.8275
377 C A 0.2498
378 T A -0.0155
379 C A 0.1864
380 P A -0.0377
381 P A -0.2692
382 G A -0.0367
383 F A 0.1603
384 T A -0.1859
385 G A -0.4784
386 G A -0.5324
387 A A -0.0495
388 C A 0.0000
389 D A -2.0064
390 Q A -1.6055
391 D A -0.5694
392 V A 0.0434
393 D A -0.8824
394 E A -0.4580
395 C A 0.0555
396 S A 0.1794
397 I A 1.8877
398 G A -0.0831
399 A A -0.2401
400 N A -1.1600
401 P A -0.2396
402 C A 0.0000
403 E A -1.5308
404 H A -0.5646
405 L A 1.4422
406 G A 0.0000
407 R A -1.9675
408 C A 0.0000
409 V A 0.4637
410 N A -0.2383
411 T A -0.2619
412 Q A -1.2162
413 G A -0.3236
414 S A -0.0573
415 F A 0.7096
416 L A 1.3244
417 C A 0.0742
418 Q A -1.3290
419 C A -0.0323
420 G A -0.6027
421 R A -1.9101
422 G A -0.1947
423 Y A 0.0317
424 T A -0.0365
425 G A -0.2052
426 P A -0.5157
427 R A -1.3530
428 C A 0.0000
429 E A -1.0074
430 T A -0.4278
431 D A -0.9834
432 V A 0.1840
433 N A -0.8687
434 E A -0.8682
435 C A 0.2706
436 L A 1.5318
437 S A -0.0144
438 G A -0.5106
439 P A -0.1002
440 C A -0.1633
441 R A -1.9532
442 N A -1.2373
443 Q A -1.3198
444 A A -0.1992
445 T A -0.0413
446 C A 0.2528
447 L A 0.4333
448 D A -0.9853
449 R A -1.3912
450 I A 1.2731
451 G A 0.0000
452 Q A -1.2635
453 F A 0.0688
454 T A 0.0576
455 C A 0.2181
456 I A 0.7716
457 C A 0.4571
458 M A 0.6151
459 A A 0.1528
460 G A -0.2539
461 F A 0.0000
462 T A -0.0854
463 G A -0.2598
464 T A 0.0150
465 Y A 0.7132
466 C A 0.0000
467 E A -0.5136
468 V A 0.7103
469 D A -1.4271
470 I A 0.1354
471 D A -1.8409
472 E A -1.3909
473 C A -0.3159
474 Q A -1.2196
475 S A -0.4673
476 S A -0.2594
477 P A -0.0731
478 C A 0.2581
479 V A 0.9323
480 N A -0.7930
481 G A -0.6400
482 G A 0.2013
483 V A 1.7875
484 C A 0.2193
485 K A -1.7243
486 D A -2.2903
487 R A -1.8425
488 V A 1.2039
489 N A -0.9776
490 G A -0.1985
491 F A 0.5085
492 S A 0.1184
493 C A 0.1056
494 T A 0.0054
495 C A 0.1460
496 P A -0.1049
497 S A -0.2420
498 G A -0.2883
499 F A -0.0029
500 S A 0.0183
501 G A -0.4095
502 S A -0.2790
503 T A -0.0434
504 C A 0.0000
505 Q A -0.9611
506 L A 0.7610
507 D A -1.3898
508 V A 0.0274
509 D A -1.8330
510 E A -1.2378
511 C A -0.0582
512 A A 0.0380
513 S A -0.2149
514 T A -0.1087
515 P A 0.0000
516 C A 0.0000
517 R A -1.5746
518 N A -1.2616
519 G A -0.6297
520 A A -0.3538
521 K A -1.6845
522 C A -0.1184
523 V A 0.2748
524 D A -1.8105
525 Q A -1.5640
526 P A -0.7927
527 D A -1.8653
528 G A -0.3378
529 Y A -0.0051
530 E A -1.4931
531 C A -0.5466
532 R A -1.7825
533 C A -0.0835
534 A A -0.2593
535 E A -1.8268
536 G A -0.3296
537 F A -0.0752
538 E A -1.5918
539 G A -0.5683
540 T A -0.0352
541 L A 0.4542
542 C A 0.0000
543 D A -2.1207
544 R A -2.2661
545 N A -0.7216
546 V A 0.2509
547 D A -1.7962
548 D A -1.0239
549 C A -0.2721
550 S A -0.2659
551 P A -0.6310
552 D A -1.8326
553 P A -0.3752
554 C A 0.0000
555 H A -1.0703
556 H A -0.6465
557 G A -0.4963
558 R A -1.8478
559 C A -0.0950
560 V A 0.6684
561 D A -0.7289
562 G A 0.0344
563 I A 1.9954
564 A A 0.3716
565 S A -0.0772
566 F A 0.3309
567 S A -0.1007
568 C A 0.0745
569 A A -0.0795
570 C A 0.2504
571 A A 0.0150
572 P A -0.2598
573 G A -0.3157
574 Y A 0.0339
575 T A -0.0540
576 G A -0.2847
577 T A -0.2983
578 R A -1.0151
579 C A 0.0000
580 E A -1.7249
581 S A -0.6375
582 Q A -1.0082
583 V A -0.0123
584 D A -0.9743
585 E A -0.9741
586 C A 0.0000
587 R A -1.8828
588 S A -0.7632
589 Q A -1.2444
590 P A -0.2467
591 C A -0.3090
592 R A -1.9042
593 H A -0.8212
594 G A -0.5456
595 G A -0.3992
596 K A -1.7091
597 C A 0.0000
598 L A 0.0146
599 D A -1.5326
600 L A 0.7010
601 V A 1.6097
602 D A -1.7850
603 K A -1.8740
604 Y A 0.0315
605 L A 1.3665
606 C A 0.0000
607 R A -1.7969
608 C A -0.0877
609 P A -0.0856
610 S A -0.2445
611 G A -0.2898
612 T A 0.0000
613 T A -0.0796
614 G A 0.0792
615 V A 1.6856
616 N A 0.0880
617 C A 0.0000
618 E A -0.3715
619 V A 0.9103
620 N A -0.1492
621 I A 1.3145
622 D A -1.5984
623 D A -1.0708
624 C A 0.0000
625 A A 0.0206
626 S A -0.4291
627 N A -1.3198
628 P A -0.2645
629 C A 0.1447
630 T A 0.1489
631 F A 1.1228
632 G A 0.3309
633 V A 1.5238
634 C A 0.0445
635 R A -1.9221
636 D A -0.7727
637 G A -0.2724
638 I A 0.2982
639 N A -1.5176
640 R A -1.9558
641 Y A -0.0389
642 D A -1.6602
643 C A 0.0000
644 V A 0.7436
645 C A 0.1195
646 Q A -0.9122
647 P A -0.4184
648 G A 0.0000
649 F A -0.0655
650 T A 0.0819
651 G A -0.1982
652 P A -0.1349
653 L A 0.7694
654 C A 0.0000
655 N A -1.0797
656 V A 0.5289
657 E A -1.3844
658 I A 0.6069
659 N A -1.1150
660 E A -0.5264
661 C A 0.1074
662 A A 0.0485
663 S A -0.2409
664 S A -0.2612
665 P A -0.0782
666 C A 0.0414
667 G A -0.4923
668 E A -1.9373
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1932 V A -0.1702
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1941 S A 0.0000
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1949 V A 0.8201
1950 N A -0.2906
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1952 V A 0.1272
1953 E A -1.7322
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.4743
1957 A A 0.0000
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1960 K A -1.9027
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1967 M A -0.0766
1968 Q A -0.7015
1969 D A 0.0000
1970 S A -0.3437
1971 K A -1.0224
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.6364
1982 E A -0.9840
1983 G A -0.3144
1984 S A 0.0000
1985 Y A 0.1090
1986 E A -1.3512
1987 A A 0.0000
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1989 K A -1.0852
1990 L A 0.0212
1991 L A 0.0000
1992 L A 0.0606
1993 D A -1.8106
1994 H A -0.2625
1995 F A 1.9087
1996 A A 0.0000
1997 N A -0.7891
1998 R A -0.7704
1999 E A -1.8179
2000 I A -0.0067
2001 T A -0.1158
2002 D A 0.0000
2003 H A -0.6687
2004 L A 1.0597
2005 D A -1.6019
2006 R A -0.7462
2007 L A 0.2188
2008 P A 0.0000
2009 R A -1.1098
2010 D A -1.3538
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.9158
2014 E A -2.2086
2015 R A -1.4701
2016 L A 1.1818
2017 H A -0.0267
2018 Q A -0.8178
2019 D A -0.8675
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2021 V A 0.0000
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2023 L A 0.0000
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2100 S A 0.1063
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2266 W A 0.8252
2267 S A -0.3267
2268 E A -1.8976
2269 S A -0.5604
2270 T A -0.1550
2271 P A -0.3063
2272 S A -0.3048
2273 P A -0.2823
2274 A A -0.0010
2275 T A -0.0497
2276 A A 0.0328
2277 T A -0.1448
2278 G A -0.4686
2279 A A 0.1619
2280 M A 1.0747
2281 A A 0.2418
2282 T A -0.0735
2283 T A -0.0977
2284 T A -0.1690
2285 G A -0.4686
2286 A A 0.2581
2287 L A 1.5132
2288 P A 0.0301
2289 A A -0.2055
2290 Q A -1.2335
2291 P A -0.1895
2292 L A 1.4562
2293 P A 0.3012
2294 L A 1.4623
2295 S A 0.3957
2296 V A 1.6870
2297 P A 0.0303
2298 S A -0.2989
2299 S A 0.1049
2300 L A 1.5098
2301 A A 0.1314
2302 Q A -1.1762
2303 A A -0.4020
2304 Q A -1.2016
2305 T A -0.5335
2306 Q A -0.9273
2307 L A 1.2398
2308 G A -0.2225
2309 P A -0.5669
2310 Q A -1.2945
2311 P A -0.8236
2312 E A -1.5184
2313 V A 1.4015
2314 T A 0.2029
2315 P A -0.5862
2316 K A -2.0952
2317 R A -2.4111
2318 Q A -1.2513
2319 V A 1.8674
2320 L A 1.9203
2321 A A 0.3571
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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 0.0016 4.953 View CSV PDB
4.5 -0.0307 4.953 View CSV PDB
5.0 -0.07 4.953 View CSV PDB
5.5 -0.1105 4.953 View CSV PDB
6.0 -0.1471 4.953 View CSV PDB
6.5 -0.1766 4.953 View CSV PDB
7.0 -0.1992 4.953 View CSV PDB
7.5 -0.217 4.953 View CSV PDB
8.0 -0.2317 4.953 View CSV PDB
8.5 -0.2427 4.953 View CSV PDB
9.0 -0.2489 4.953 View CSV PDB