Project name: C466W

Status: done

Started: 2026-05-14 00:42:17
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYWEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:29)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:29)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:34:59)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/515e657b2edf383/tmp/folded.pdb                (00:34:59)
[INFO]       Main:     Simulation completed successfully.                                          (01:09:20)
Show buried residues

Minimal score value
-4.763
Maximal score value
5.8756
Average score
-0.7546
Total score value
-1751.5189

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 0.7131
2 G A -0.2032
3 P A -0.6507
4 G A -1.0089
5 A A -1.5149
6 R A -2.8765
7 G A -2.9756
8 R A -4.0806
9 R A -4.5424
10 R A -4.7630
11 R A -4.7060
12 R A -4.2168
13 R A -3.2678
14 P A -1.3723
15 M A 0.0835
16 S A -0.1872
17 P A -0.3389
18 P A -0.5234
19 P A -0.6697
20 P A -0.6792
21 P A -0.4101
22 P A -0.3396
23 P A -0.0607
24 V A 0.8621
25 R A -0.6722
26 A A 0.5150
27 L A 1.9009
28 P A 1.9178
29 L A 3.5761
30 L A 4.0630
31 L A 3.8794
32 L A 3.7552
33 L A 3.1014
34 A A 1.4379
35 G A 0.0149
36 P A -0.4592
37 G A -0.6706
38 A A -0.2890
39 A A -0.1841
40 A A -0.4977
41 P A -1.0584
42 P A -0.9718
43 C A 0.0000
44 L A -0.1021
45 D A -1.1383
46 G A -0.8550
47 S A -0.6642
48 P A -0.9068
49 C A -1.0436
50 A A -1.2363
51 N A -1.6153
52 G A -1.2257
53 G A -1.1307
54 R A -1.6451
55 C A -0.5135
56 T A -0.8643
57 Q A -1.9023
58 L A -1.1984
59 P A -1.3509
60 S A -1.8319
61 R A -3.0767
62 E A -2.8858
63 A A 0.0000
64 A A -1.0053
65 C A -0.4096
66 L A 0.6386
67 C A -0.0413
68 P A -0.1869
69 P A -0.4301
70 G A -0.9811
71 W A -0.7392
72 V A -0.5104
73 G A -0.8015
74 E A -1.8145
75 R A -1.5808
76 C A 0.0000
77 Q A -1.5520
78 L A -1.4089
79 E A -2.2987
80 D A -1.6074
81 P A -1.3727
82 C A -1.0008
83 H A -1.5911
84 S A -1.1395
85 G A -0.8463
86 P A -0.3856
87 C A -0.8110
88 A A -0.5358
89 G A -0.9988
90 R A -1.6617
91 G A -1.0899
92 V A 0.3336
93 C A -0.3532
94 Q A -1.0508
95 S A -0.5841
96 S A -0.0448
97 V A 0.8274
98 V A 1.6122
99 A A 0.6389
100 G A -0.1732
101 T A -0.1623
102 A A 0.0000
103 R A -1.3876
104 F A -0.6433
105 S A -0.8582
106 C A -0.9598
107 R A -1.7588
108 C A -1.0489
109 P A -1.2447
110 R A -1.8544
111 G A -0.5076
112 F A -0.2260
113 R A -0.5777
114 G A -0.5354
115 P A -0.7520
116 D A -0.8003
117 C A 0.0000
118 S A -0.2307
119 L A 0.5819
120 P A -0.1390
121 D A -0.4324
122 P A -0.1751
123 C A -0.0018
124 L A 0.1271
125 S A -0.0410
126 S A -0.3004
127 P A -0.4471
128 C A -1.1221
129 A A -1.5118
130 H A -1.7163
131 G A -1.2970
132 A A -1.5493
133 R A -1.8433
134 C A -0.3618
135 S A -0.2625
136 V A -0.0986
137 G A -0.6612
138 P A -1.1025
139 D A -1.9453
140 G A -1.4612
141 R A -1.9804
142 F A -0.6757
143 L A -0.0034
144 C A -0.7642
145 S A -0.9266
146 C A -1.2871
147 P A -0.8103
148 P A -0.4945
149 G A -0.8589
150 Y A -1.7131
151 Q A -2.3579
152 G A -2.4461
153 R A -2.3835
154 S A -1.8843
155 C A 0.0000
156 R A -2.9136
157 S A -2.2571
158 D A -1.8942
159 V A -1.2280
160 D A -1.1591
161 E A -1.5912
162 C A -1.4338
163 R A -1.7969
164 V A 0.0708
165 G A -1.0499
166 E A -2.3877
167 P A -1.6111
168 C A 0.0000
169 R A -3.0119
170 H A -2.1559
171 G A -1.7804
172 G A -1.7326
173 T A -1.2369
174 C A -1.3006
175 L A -0.3457
176 N A -1.1041
177 T A -0.7761
178 P A -0.9802
179 G A -1.1185
180 S A -0.8404
181 F A -0.9488
182 R A -1.8431
183 C A -1.6362
184 Q A -1.5295
185 C A -1.3197
186 P A -0.6744
187 A A 0.1221
188 G A 0.0764
189 Y A -0.5676
190 T A -0.7210
191 G A -1.1420
192 P A -1.1051
193 L A -1.3352
194 C A 0.0000
195 E A -1.6596
196 N A -1.5949
197 P A -0.5447
198 A A 0.3461
199 V A 1.0545
200 P A 0.0000
201 C A -0.1933
202 A A 0.2450
203 P A 0.0044
204 S A -0.7072
205 P A -0.9740
206 C A 0.0000
207 R A -2.7438
208 N A -1.7684
209 G A -1.2482
210 G A -1.4396
211 T A -1.1298
212 C A -1.7817
213 R A -2.8467
214 Q A -2.2805
215 S A -1.6884
216 G A -1.3659
217 D A -1.1187
218 L A 0.7326
219 T A -0.4968
220 Y A -1.5663
221 D A -2.6650
222 C A -2.0571
223 A A -0.8550
224 C A -0.7290
225 L A 0.2090
226 P A -0.0070
227 G A -0.3926
228 F A -0.9698
229 E A -2.0023
230 G A -1.8145
231 Q A -2.2807
232 N A -2.1663
233 C A 0.0000
234 E A -1.8270
235 V A -0.4967
236 N A -0.6174
237 V A -0.8629
238 D A -1.6286
239 D A -1.6144
240 C A -1.5000
241 P A -1.3075
242 G A -1.2945
243 H A -1.5461
244 R A -2.0615
245 C A -0.9319
246 L A 0.1016
247 N A -0.8529
248 G A -0.5990
249 G A -0.7874
250 T A -0.6147
251 C A -0.7308
252 V A -0.1967
253 D A -0.8892
254 G A -0.2800
255 V A 0.7669
256 N A -0.7951
257 T A -0.7199
258 Y A -1.2293
259 N A -1.7579
260 C A -1.2606
261 Q A -1.3550
262 C A -1.1402
263 P A -0.6725
264 P A -0.8261
265 E A -1.3914
266 W A -1.3083
267 T A -1.5190
268 G A -1.5790
269 Q A -1.8793
270 F A -1.3175
271 C A 0.0000
272 T A -1.2317
273 E A -2.2217
274 D A -1.7082
275 V A -1.0813
276 D A -1.2294
277 E A -1.2626
278 C A -1.0910
279 Q A -1.2215
280 L A -0.0104
281 Q A -1.4666
282 P A -1.4914
283 N A -2.1516
284 A A -1.5844
285 C A 0.0000
286 H A -2.0499
287 N A -1.6579
288 G A -1.2114
289 G A -0.8416
290 T A -0.2233
291 C A -0.5671
292 F A -0.1448
293 N A -0.9337
294 T A -0.7806
295 L A -0.1475
296 G A -0.7822
297 G A -0.5951
298 H A -0.8663
299 S A -0.8359
300 C A -0.4604
301 V A 0.1332
302 C A -0.5067
303 V A -0.2211
304 N A -0.6268
305 G A 0.0000
306 W A -0.6912
307 T A -1.0946
308 G A -1.4304
309 E A -2.2164
310 S A -1.7077
311 C A 0.0000
312 S A -1.6085
313 Q A -1.8191
314 N A -1.3471
315 I A -0.8312
316 D A -2.0508
317 D A -1.1116
318 C A -0.5185
319 A A -0.2723
320 T A -0.0131
321 A A 0.7525
322 V A 1.8465
323 C A 1.4897
324 F A 0.8838
325 H A -0.8358
326 G A -0.5166
327 A A 0.1939
328 T A 0.2109
329 C A 0.2271
330 H A -0.8000
331 D A -1.3947
332 R A -1.5549
333 V A -0.1958
334 A A -0.3245
335 S A -0.4953
336 F A 0.0916
337 Y A 0.8122
338 C A 0.0000
339 A A 0.5461
340 C A 0.4805
341 P A 0.1641
342 M A 0.7410
343 G A -0.1876
344 K A -1.0354
345 T A -0.7268
346 G A 0.2584
347 L A 1.7343
348 L A 1.4366
349 C A 0.0000
350 H A -0.2179
351 L A -1.1425
352 D A -2.3438
353 D A -1.6147
354 A A -1.1444
355 C A -0.5934
356 V A 0.1862
357 S A -0.5055
358 N A -0.9978
359 P A -0.9575
360 C A 0.0000
361 H A -1.4095
362 E A -2.5721
363 D A -2.1828
364 A A -0.6676
365 I A 0.9467
366 C A -0.1829
367 D A -1.1499
368 T A 0.0000
369 N A 0.0000
370 P A -0.4488
371 V A 0.1615
372 N A -1.3047
373 G A -1.5279
374 R A -1.3799
375 A A -0.8939
376 I A 0.1393
377 C A 0.0446
378 T A 0.3406
379 C A -0.0571
380 P A -0.3589
381 P A -0.4645
382 G A -0.6018
383 F A -0.8592
384 T A -0.5988
385 G A -0.6594
386 G A -0.7961
387 A A 0.0000
388 C A 0.0000
389 D A -1.1485
390 Q A -1.4258
391 D A -1.3744
392 V A -0.5081
393 D A -0.6921
394 E A -0.0214
395 C A -0.1010
396 S A 0.1972
397 I A 1.2592
398 G A 0.0094
399 A A -0.4147
400 N A -1.2456
401 P A -0.9256
402 C A 0.0000
403 E A -1.9351
404 H A -0.8944
405 L A 0.0109
406 G A 0.0000
407 R A -2.1022
408 C A 0.0000
409 V A 0.0320
410 N A -0.3187
411 T A -0.2693
412 Q A -1.2067
413 G A -0.8714
414 S A -0.1657
415 F A 0.4093
416 L A 0.5971
417 C A 0.0000
418 Q A -1.6328
419 C A -1.8229
420 G A -1.4407
421 R A -1.9163
422 G A 0.0000
423 Y A -1.3488
424 T A -1.5687
425 G A -1.4000
426 P A -1.1240
427 R A -2.3158
428 C A 0.0000
429 E A -2.0000
430 T A -1.7965
431 D A -2.2119
432 V A -1.0998
433 N A -1.0648
434 E A -1.1166
435 C A -0.3677
436 L A 0.8741
437 S A 0.0759
438 G A -0.5668
439 P A -0.2498
440 C A -0.4803
441 R A -1.8280
442 N A -1.5525
443 Q A -1.4940
444 A A -0.1635
445 T A 0.2319
446 C A 0.1370
447 L A -0.2345
448 D A -1.7158
449 R A -1.9805
450 I A -0.3989
451 G A 0.0000
452 Q A -1.7412
453 F A -0.7984
454 T A -0.0428
455 C A 0.0000
456 I A 2.0637
457 C A 0.8083
458 M A 0.6869
459 A A 0.3446
460 G A -0.6535
461 F A -0.0758
462 T A 0.2903
463 G A 0.0341
464 T A 0.4757
465 Y A 0.7805
466 W A 0.1997
467 E A -0.5683
468 V A -0.0169
469 D A -1.6243
470 I A -1.3439
471 D A -2.8909
472 E A -2.6732
473 C A -1.8776
474 Q A -2.0754
475 S A -1.3369
476 S A -0.5293
477 P A -0.1773
478 C A 0.2195
479 V A 0.5095
480 N A -0.7514
481 G A -0.2567
482 G A 0.3147
483 V A 1.2760
484 C A -0.3893
485 K A -1.9841
486 D A -2.4844
487 R A -2.3532
488 V A -0.2634
489 N A -1.3038
490 G A -1.2490
491 F A -1.2204
492 S A -0.6057
493 C A 0.2701
494 T A 0.2785
495 C A 0.3331
496 P A -0.3463
497 S A -0.9416
498 G A -1.8801
499 F A -1.0214
500 S A -0.6050
501 G A -0.5356
502 S A -0.2578
503 T A 0.0197
504 C A 0.0000
505 Q A -0.9935
506 L A -0.3484
507 D A -2.4745
508 V A -1.7206
509 D A -2.6672
510 E A -2.2674
511 C A -1.4978
512 A A -0.8487
513 S A -0.5748
514 T A -0.8758
515 P A -0.7746
516 C A 0.0000
517 R A -2.7153
518 N A -2.3439
519 G A -2.0676
520 A A -2.6686
521 K A -2.9701
522 C A -2.2594
523 V A -2.0180
524 D A -3.3270
525 Q A -2.9625
526 P A -2.5633
527 D A -2.8397
528 G A -2.0960
529 Y A -1.9695
530 E A -2.4062
531 C A -2.3871
532 R A -2.9340
533 C A -2.7924
534 A A -1.9767
535 E A -1.8895
536 G A -1.2479
537 F A -2.4531
538 E A -3.3086
539 G A -2.1559
540 T A -1.3121
541 L A -1.2822
542 C A 0.0000
543 D A -2.7634
544 R A -3.4958
545 N A -2.5283
546 V A -1.8833
547 D A -2.3429
548 D A -1.4618
549 C A -1.6064
550 S A -1.6552
551 P A -1.5788
552 D A -2.5623
553 P A -1.8463
554 C A -1.9100
555 H A -2.3236
556 H A -2.0254
557 G A -1.8453
558 R A -2.1233
559 C A -0.9951
560 V A 0.3410
561 D A -0.6197
562 G A 0.4158
563 I A 1.1029
564 A A -0.0621
565 S A 0.1621
566 F A 0.1673
567 S A -0.0942
568 C A -0.7952
569 A A -0.5507
570 C A -0.9146
571 A A -0.6355
572 P A -0.4016
573 G A -0.7491
574 Y A -0.9878
575 T A -1.0355
576 G A -1.1130
577 T A -0.9758
578 R A -2.2921
579 C A 0.0000
580 E A -2.4713
581 S A -1.7317
582 Q A -1.5211
583 V A -1.3271
584 D A -2.7135
585 E A -2.4248
586 C A 0.0000
587 R A -3.0725
588 S A -2.0279
589 Q A -2.7441
590 P A -1.4407
591 C A -1.7638
592 R A -2.6335
593 H A -1.7373
594 G A -1.9879
595 G A -2.2127
596 K A -2.8207
597 C A 0.0000
598 L A -0.9676
599 D A -1.8619
600 L A -0.2607
601 V A 0.0364
602 D A -2.0509
603 K A -1.8258
604 Y A -0.5521
605 L A 0.5034
606 C A -0.8616
607 R A -1.8545
608 C A -1.3051
609 P A -1.3518
610 S A -0.7585
611 G A -0.8154
612 T A 0.0000
613 T A 0.0389
614 G A 0.2158
615 V A 1.3417
616 N A -0.4634
617 C A 0.0000
618 E A -0.6763
619 V A 0.4715
620 N A -0.7100
621 I A -0.1325
622 D A -2.1400
623 D A -2.6516
624 C A -1.9723
625 A A -0.9976
626 S A -1.1620
627 N A -1.3404
628 P A -0.5342
629 C A 0.1917
630 T A 0.4799
631 F A 1.3314
632 G A 0.7571
633 V A 0.8729
634 C A 0.0000
635 R A -2.5909
636 D A -2.6875
637 G A -2.0909
638 I A -0.9319
639 N A -2.1838
640 R A -3.0034
641 Y A -2.5045
642 D A -1.8458
643 C A -0.0804
644 V A 1.2408
645 C A 0.7253
646 Q A -0.8422
647 P A -1.2832
648 G A -1.7941
649 F A -0.5578
650 T A 0.2577
651 G A 0.4206
652 P A 0.0958
653 L A 0.7382
654 C A 0.0000
655 N A -0.2803
656 V A 0.6089
657 E A -1.4985
658 I A -0.9950
659 N A -1.8623
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1968 Q A -1.7264
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1971 K A -1.9603
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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
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1980 A A 0.0000
1981 R A -2.1517
1982 E A -1.9352
1983 G A -1.4968
1984 S A 0.0000
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1986 E A -1.8207
1987 A A 0.0000
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1990 L A -0.9402
1991 L A 0.0000
1992 L A -0.9464
1993 D A -1.6562
1994 H A -0.7100
1995 F A 0.0638
1996 A A 0.0000
1997 N A -1.0464
1998 R A -1.4373
1999 E A -2.0594
2000 I A -1.4167
2001 T A -1.7362
2002 D A 0.0000
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2006 R A -1.6744
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2008 P A 0.0000
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2010 D A -2.6350
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2012 A A 0.0000
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2014 E A -3.2504
2015 R A -2.9991
2016 L A -0.9617
2017 H A -2.1410
2018 Q A -2.4416
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2245 L A 2.1353
2246 T A 0.8262
2247 P A -0.1565
2248 S A -0.9011
2249 P A -1.4065
2250 E A -2.3704
2251 S A -1.9561
2252 P A -1.7685
2253 E A -2.3756
2254 H A -1.3930
2255 W A 0.1273
2256 A A 0.0232
2257 S A -0.2603
2258 P A -0.4310
2259 S A -0.5987
2260 P A -0.6307
2261 P A -0.2330
2262 S A 0.2846
2263 L A 0.9994
2264 S A -0.0622
2265 D A -1.1877
2266 W A -0.1864
2267 S A -1.0195
2268 E A -1.9352
2269 S A -1.1652
2270 T A -0.8222
2271 P A -0.4952
2272 S A -0.5010
2273 P A -0.4118
2274 A A -0.1616
2275 T A -0.1838
2276 A A -0.1318
2277 T A -0.1539
2278 G A -0.2316
2279 A A 0.3521
2280 M A 0.9784
2281 A A 0.4896
2282 T A 0.1833
2283 T A -0.1262
2284 T A -0.1755
2285 G A -0.1351
2286 A A 0.5092
2287 L A 1.2207
2288 P A 0.2450
2289 A A -0.2677
2290 Q A -0.8514
2291 P A -0.1279
2292 L A 1.3538
2293 P A 1.1011
2294 L A 2.0258
2295 S A 1.3936
2296 V A 1.8235
2297 P A 0.4137
2298 S A 0.2497
2299 S A 0.5056
2300 L A 1.1495
2301 A A 0.1154
2302 Q A -1.0636
2303 A A -1.1912
2304 Q A -1.7055
2305 T A -0.8900
2306 Q A -0.7178
2307 L A 0.5897
2308 G A -0.3724
2309 P A -0.8329
2310 Q A -1.9790
2311 P A -1.5076
2312 E A -1.3904
2313 V A 0.7411
2314 T A -0.0131
2315 P A -1.3741
2316 K A -2.8549
2317 R A -2.8784
2318 Q A -1.2056
2319 V A 1.2613
2320 L A 2.1588
2321 A A 1.1989
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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 -0.0753 6.9433 View CSV PDB
4.5 -0.158 6.9433 View CSV PDB
5.0 -0.2575 6.9433 View CSV PDB
5.5 -0.36 6.9433 View CSV PDB
6.0 -0.4535 6.9433 View CSV PDB
6.5 -0.5305 6.9433 View CSV PDB
7.0 -0.5906 6.9433 View CSV PDB
7.5 -0.639 6.9433 View CSV PDB
8.0 -0.6792 6.9433 View CSV PDB
8.5 -0.7097 6.9433 View CSV PDB
9.0 -0.7273 6.9433 View CSV PDB