Project name: C311Y_5_4D

Status: done

Started: 2026-06-01 07:16:21
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESYSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:44)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:44)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:08)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5145331733ec60e/tmp/folded.pdb                (00:23:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:50:12)
Show buried residues

Minimal score value
-2.5232
Maximal score value
2.469
Average score
-0.2765
Total score value
-641.7772

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 0.9679
2 G A -0.3193
3 P A -0.4239
4 G A -0.5019
5 A A -0.3545
6 R A -1.9174
7 G A -1.1242
8 R A -2.2576
9 R A -2.5084
10 R A -2.5104
11 R A -2.5138
12 R A -2.5169
13 R A -2.2264
14 P A -0.3947
15 M A 0.9668
16 S A -0.0651
17 P A -0.3408
18 P A -0.3484
19 P A -0.3484
20 P A -0.3487
21 P A -0.3488
22 P A -0.3488
23 P A 0.0298
24 V A 1.3807
25 R A -1.5019
26 A A 0.0005
27 L A 1.5111
28 P A 0.3264
29 L A 1.7942
30 L A 2.1398
31 L A 2.1396
32 L A 2.1407
33 L A 1.8572
34 A A 0.2619
35 G A -0.5014
36 P A -0.4256
37 G A -0.5026
38 A A -0.0183
39 A A 0.0760
40 A A 0.0326
41 P A -0.0896
42 P A -0.0997
43 C A 0.0000
44 L A 1.0618
45 D A -1.4037
46 G A -0.6452
47 S A -0.1308
48 P A -0.2708
49 C A 0.0000
50 A A -0.0844
51 N A -0.2044
52 G A -0.0758
53 G A 0.0000
54 R A -1.6882
55 C A -0.2561
56 T A -0.2269
57 Q A -1.0874
58 L A 0.3438
59 P A -0.1830
60 S A -0.5858
61 R A -2.2174
62 E A -2.1588
63 A A -0.5119
64 A A 0.0272
65 C A 0.3772
66 L A 1.4087
67 C A 0.4574
68 P A -0.0631
69 P A -0.2731
70 G A -0.0884
71 W A -0.0377
72 V A 0.2507
73 G A -0.3588
74 E A -1.9274
75 R A -0.8591
76 C A 0.0000
77 Q A -0.4615
78 L A -0.1707
79 E A -1.7910
80 D A -0.5830
81 P A -0.0689
82 C A -0.0816
83 H A -1.0102
84 S A -0.4787
85 G A -0.5151
86 P A -0.1283
87 C A -0.0518
88 A A 0.0070
89 G A -0.4901
90 R A -1.8850
91 G A -0.0384
92 V A 1.7844
93 C A 0.3105
94 Q A -0.8213
95 S A -0.1732
96 S A -0.0985
97 V A 0.8795
98 V A 1.8922
99 A A 0.2979
100 G A -0.4644
101 T A -0.1321
102 A A 0.0000
103 R A -1.7404
104 F A 0.1491
105 S A -0.0940
106 C A -0.2809
107 R A -1.7865
108 C A -0.1472
109 P A -0.3451
110 R A -1.8607
111 G A -0.2525
112 F A 0.7408
113 R A -0.2075
114 G A -0.3051
115 P A -0.4599
116 D A -0.9750
117 C A 0.0000
118 S A -0.0377
119 L A 0.8624
120 P A -0.0037
121 D A -0.2055
122 P A -0.0724
123 C A 0.2719
124 L A 1.0899
125 S A -0.0461
126 S A -0.2591
127 P A -0.0683
128 C A 0.0620
129 A A -0.1212
130 H A -0.8777
131 G A -0.6083
132 A A -0.3925
133 R A -1.8274
134 C A -0.2800
135 S A -0.0019
136 V A 0.6341
137 G A 0.0137
138 P A -0.5890
139 D A -1.8518
140 G A -0.7483
141 R A -1.8029
142 F A 0.2793
143 L A 1.3407
144 C A 0.2805
145 S A -0.1552
146 C A 0.1849
147 P A -0.0718
148 P A -0.2764
149 G A -0.0474
150 Y A -0.1473
151 Q A -1.2559
152 G A -1.0333
153 R A -1.9393
154 S A -0.3714
155 C A 0.0000
156 R A -1.8743
157 S A -0.6253
158 D A -0.5849
159 V A 0.0760
160 D A -0.6272
161 E A -0.4204
162 C A -0.2443
163 R A -1.4961
164 V A 1.3996
165 G A -0.2182
166 E A -1.8691
167 P A -0.3875
168 C A 0.0000
169 R A -1.9280
170 H A -1.2796
171 G A -0.6342
172 G A -0.1283
173 T A -0.0579
174 C A 0.2471
175 L A 0.5187
176 N A -0.6725
177 T A 0.0000
178 P A -0.2672
179 G A -0.1471
180 S A -0.0488
181 F A 0.0341
182 R A -1.7293
183 C A -0.4575
184 Q A -1.1411
185 C A -0.0365
186 P A -0.0554
187 A A 0.0209
188 G A -0.0151
189 Y A 0.3379
190 T A 0.0163
191 G A -0.2283
192 P A -0.2078
193 L A 0.4002
194 C A 0.0000
195 E A -0.9687
196 N A -1.2689
197 P A -0.3816
198 A A 0.2999
199 V A 1.5701
200 P A 0.2920
201 C A 0.1340
202 A A 0.0082
203 P A -0.2679
204 S A -0.1806
205 P A -0.0638
206 C A -0.3003
207 R A -1.9822
208 N A -1.2441
209 G A -0.6230
210 G A -0.1167
211 T A -0.0608
212 C A -0.2372
213 R A -2.0493
214 Q A -1.5187
215 S A -0.4128
216 G A -0.5487
217 D A -1.6387
218 L A 0.6875
219 T A 0.1839
220 Y A -0.1136
221 D A -1.6950
222 C A -0.2323
223 A A 0.0798
224 C A 0.3964
225 L A 0.9292
226 P A -0.0941
227 G A -0.1035
228 F A -0.1568
229 E A -1.8288
230 G A -0.8467
231 Q A -1.2862
232 N A -0.3964
233 C A 0.0000
234 E A -0.8824
235 V A 0.8659
236 N A -0.0536
237 V A 0.2531
238 D A -1.7484
239 D A -0.7604
240 C A -0.0379
241 P A -0.3249
242 G A -0.6028
243 H A -0.9127
244 R A -1.9336
245 C A 0.0000
246 L A 1.1781
247 N A -0.6438
248 G A -0.6190
249 G A -0.1206
250 T A -0.0614
251 C A 0.3085
252 V A 1.0706
253 D A -0.4495
254 G A 0.1029
255 V A 1.5145
256 N A -0.9727
257 T A -0.2706
258 Y A -0.1097
259 N A -1.2143
260 C A -0.3645
261 Q A -1.1529
262 C A -0.0770
263 P A -0.0715
264 P A -0.3705
265 E A -0.6029
266 W A 0.0006
267 T A -0.2483
268 G A -0.5141
269 Q A -1.2005
270 F A 0.0654
271 C A 0.0000
272 T A -0.4038
273 E A -1.9019
274 D A -0.6255
275 V A 0.0286
276 D A -0.8377
277 E A 0.0000
278 C A -0.0815
279 Q A -0.9427
280 L A 0.1975
281 Q A -0.5984
282 P A -0.1973
283 N A -0.2434
284 A A -0.0363
285 C A 0.0000
286 H A -0.7727
287 N A -0.5318
288 G A -0.1605
289 G A -0.0456
290 T A -0.0446
291 C A 0.4780
292 F A 1.8667
293 N A -0.2108
294 T A 0.0974
295 L A 1.5073
296 G A 0.1017
297 G A -0.1748
298 H A -0.5172
299 S A -0.2634
300 C A 0.3412
301 V A 1.6465
302 C A 0.6203
303 V A 0.1022
304 N A -1.2217
305 G A 0.0000
306 W A 0.0953
307 T A -0.0147
308 G A -0.4840
309 E A -1.8702
310 S A -0.4034
311 Y A 0.1118
312 S A -0.3911
313 Q A -1.3145
314 N A -0.4247
315 I A 0.6792
316 D A -1.6616
317 D A -0.7037
318 C A 0.0923
319 A A 0.0736
320 T A -0.0588
321 A A 0.3365
322 V A 1.7952
323 C A 0.5656
324 F A 0.4200
325 H A -0.9253
326 G A -0.4034
327 A A 0.0000
328 T A 0.0088
329 C A 0.0027
330 H A -0.8193
331 D A -0.6274
332 R A -0.3008
333 V A 0.3124
334 A A 0.0703
335 S A 0.0500
336 F A 0.6147
337 Y A 0.8428
338 C A 0.0000
339 A A 0.0587
340 C A 0.1644
341 P A 0.0000
342 M A 0.1860
343 G A -0.1090
344 K A -0.6138
345 T A -0.0810
346 G A 0.0942
347 L A 0.9393
348 L A 0.3392
349 C A 0.0000
350 H A -0.3691
351 L A -0.1750
352 D A -1.8338
353 D A -0.5982
354 A A -0.0293
355 C A 0.0000
356 V A 0.9052
357 S A -0.1127
358 N A -0.4538
359 P A -0.1665
360 C A 0.0147
361 H A -0.5258
362 E A -2.1820
363 D A -2.1189
364 A A 0.0000
365 I A 2.0126
366 C A 0.0000
367 D A -1.7894
368 T A 0.0000
369 N A -0.2217
370 P A -0.1220
371 V A 0.0808
372 N A -0.8808
373 G A -0.5661
374 R A -1.8565
375 A A 0.0000
376 I A 0.7949
377 C A 0.2143
378 T A -0.0173
379 C A 0.1773
380 P A -0.0361
381 P A -0.2697
382 G A -0.0432
383 F A 0.1914
384 T A -0.0622
385 G A -0.4931
386 G A -0.5356
387 A A -0.0507
388 C A 0.0000
389 D A -2.0079
390 Q A -1.6008
391 D A -0.5603
392 V A -0.0111
393 D A -0.8981
394 E A -0.8643
395 C A -0.0129
396 S A 0.1821
397 I A 1.8871
398 G A -0.0811
399 A A -0.2293
400 N A -1.0944
401 P A -0.2242
402 C A 0.0000
403 E A -1.6552
404 H A -0.3725
405 L A 1.4825
406 G A 0.0000
407 R A -1.9674
408 C A 0.0000
409 V A 0.5826
410 N A -0.2176
411 T A -0.2786
412 Q A -1.2143
413 G A -0.3149
414 S A -0.0990
415 F A 0.5469
416 L A 1.3008
417 C A 0.0750
418 Q A -1.3285
419 C A -0.0296
420 G A -0.5846
421 R A -1.8976
422 G A 0.0000
423 Y A 0.0151
424 T A -0.0380
425 G A -0.2053
426 P A -0.5554
427 R A -1.5742
428 C A 0.0000
429 E A -1.4173
430 T A -0.5326
431 D A -1.1048
432 V A 0.4420
433 N A -0.4910
434 E A -0.3914
435 C A 0.3375
436 L A 1.5298
437 S A -0.0153
438 G A -0.5108
439 P A -0.1012
440 C A -0.1682
441 R A -1.9570
442 N A -1.2565
443 Q A -1.3235
444 A A -0.2011
445 T A -0.0441
446 C A 0.2488
447 L A 0.3231
448 D A -1.8869
449 R A -1.5806
450 I A 1.7349
451 G A 0.0000
452 Q A -1.2593
453 F A 0.0485
454 T A 0.0748
455 C A 0.3658
456 I A 1.5869
457 C A 0.5931
458 M A 0.5791
459 A A 0.1476
460 G A -0.2417
461 F A -0.0399
462 T A -0.0492
463 G A -0.2649
464 T A 0.0147
465 Y A 0.7127
466 C A 0.0000
467 E A -0.5706
468 V A 0.6938
469 D A -1.4051
470 I A 0.1179
471 D A -1.8152
472 E A -1.2346
473 C A -0.2829
474 Q A -1.2193
475 S A -0.4692
476 S A -0.2589
477 P A -0.0680
478 C A 0.2603
479 V A 0.9210
480 N A -0.7944
481 G A -0.6404
482 G A 0.2007
483 V A 1.7874
484 C A 0.2613
485 K A -1.5010
486 D A -2.2650
487 R A -1.8406
488 V A 1.2019
489 N A -0.9782
490 G A -0.2304
491 F A 0.3645
492 S A 0.0844
493 C A 0.0974
494 T A 0.0027
495 C A 0.1453
496 P A -0.1106
497 S A -0.2438
498 G A -0.3828
499 F A 0.0292
500 S A 0.0253
501 G A -0.4052
502 S A -0.2787
503 T A -0.0419
504 C A 0.0000
505 Q A -0.9659
506 L A 0.7164
507 D A -1.3995
508 V A -0.0153
509 D A -1.8350
510 E A -1.2109
511 C A -0.0514
512 A A 0.0381
513 S A -0.2149
514 T A -0.1137
515 P A -0.0390
516 C A 0.0000
517 R A -1.7655
518 N A -1.3926
519 G A -0.6468
520 A A -0.3564
521 K A -1.6847
522 C A -0.1528
523 V A 0.0905
524 D A -1.8411
525 Q A -1.3007
526 P A -0.7509
527 D A -1.8650
528 G A -0.3582
529 Y A -0.2711
530 E A -1.5226
531 C A -0.5484
532 R A -1.7820
533 C A -0.0835
534 A A -0.2623
535 E A -1.8274
536 G A -0.3405
537 F A -0.0960
538 E A -1.5534
539 G A -0.5426
540 T A -0.0552
541 L A 0.3217
542 C A 0.0000
543 D A -2.1159
544 R A -2.2567
545 N A -0.6698
546 V A 0.2116
547 D A -1.6969
548 D A -1.0358
549 C A -0.2926
550 S A -0.4494
551 P A -0.6353
552 D A -1.8504
553 P A -0.3505
554 C A 0.0000
555 H A -1.0755
556 H A -0.6716
557 G A -0.5035
558 R A -1.8465
559 C A -0.0200
560 V A 1.0632
561 D A -0.5484
562 G A 0.0644
563 I A 1.9940
564 A A 0.3546
565 S A -0.0648
566 F A 0.4222
567 S A -0.0855
568 C A 0.0663
569 A A -0.0971
570 C A 0.2333
571 A A 0.0092
572 P A -0.2505
573 G A 0.0000
574 Y A 0.0453
575 T A -0.0432
576 G A -0.2759
577 T A -0.3090
578 R A -1.0853
579 C A 0.0000
580 E A -1.2741
581 S A -0.5440
582 Q A -1.1067
583 V A 0.0019
584 D A -1.0538
585 E A -0.5408
586 C A 0.0000
587 R A -1.8832
588 S A -0.7695
589 Q A -1.2439
590 P A -0.2562
591 C A 0.0000
592 R A -1.9091
593 H A -0.7752
594 G A -0.5364
595 G A -0.4090
596 K A -1.7088
597 C A 0.0000
598 L A 0.2323
599 D A -1.5498
600 L A 0.4248
601 V A 1.5590
602 D A -1.7829
603 K A -1.8950
604 Y A 0.0365
605 L A 1.0671
606 C A -0.0889
607 R A -1.7840
608 C A -0.1133
609 P A -0.0853
610 S A -0.2456
611 G A -0.2799
612 T A 0.0000
613 T A -0.0895
614 G A 0.0642
615 V A 1.6806
616 N A 0.0566
617 C A 0.0000
618 E A -0.3093
619 V A 1.0406
620 N A -0.1731
621 I A 0.8235
622 D A -1.7213
623 D A -1.2301
624 C A -0.0819
625 A A 0.0330
626 S A -0.4279
627 N A -1.3199
628 P A -0.2692
629 C A 0.1382
630 T A 0.1935
631 F A 1.3265
632 G A 0.3730
633 V A 1.7732
634 C A 0.1053
635 R A -1.9254
636 D A -0.8162
637 G A -0.2771
638 I A 0.3230
639 N A -1.5110
640 R A -1.9836
641 Y A -0.1932
642 D A -1.6754
643 C A -0.1531
644 V A 0.5534
645 C A 0.0155
646 Q A -1.2270
647 P A -0.4841
648 G A -0.1488
649 F A -0.0958
650 T A 0.1410
651 G A -0.2014
652 P A -0.1433
653 L A 0.7364
654 C A 0.0000
655 N A -0.9785
656 V A 1.0763
657 E A -1.2966
658 I A 0.5388
659 N A -1.1253
660 E A -0.5366
661 C A 0.0877
662 A A 0.0449
663 S A -0.2409
664 S A -0.2637
665 P A -0.0930
666 C A 0.0287
667 G A -0.5124
668 E A -1.9417
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1932 V A 0.0000
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1950 N A -0.3302
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1953 E A -1.7391
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1967 M A -0.0865
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1971 K A -0.8661
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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 0.0000
1982 E A -0.4574
1983 G A -0.2426
1984 S A 0.0000
1985 Y A 0.2267
1986 E A -1.2671
1987 A A 0.0000
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1989 K A -0.9387
1990 L A -0.1681
1991 L A 0.0000
1992 L A -0.0349
1993 D A -1.8011
1994 H A -0.4447
1995 F A 1.1231
1996 A A 0.0000
1997 N A -0.8025
1998 R A -0.7547
1999 E A -1.5526
2000 I A 0.0335
2001 T A -0.1612
2002 D A 0.0000
2003 H A -0.5978
2004 L A 1.0707
2005 D A -1.5965
2006 R A -0.7251
2007 L A 0.2394
2008 P A 0.0000
2009 R A -1.3418
2010 D A -1.2449
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2037
2015 R A -1.3151
2016 L A 1.1905
2017 H A -0.1544
2018 Q A -1.3749
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2268 E A -1.9053
2269 S A -0.6071
2270 T A -0.1606
2271 P A -0.3178
2272 S A -0.3232
2273 P A -0.2859
2274 A A -0.0058
2275 T A -0.0463
2276 A A 0.0292
2277 T A -0.1798
2278 G A -0.4738
2279 A A 0.1727
2280 M A 1.0756
2281 A A 0.2431
2282 T A -0.0706
2283 T A -0.0985
2284 T A -0.1720
2285 G A -0.4687
2286 A A 0.2597
2287 L A 1.5096
2288 P A 0.0535
2289 A A -0.2171
2290 Q A -1.2476
2291 P A -0.2300
2292 L A 1.4425
2293 P A 0.3861
2294 L A 1.4518
2295 S A 0.4976
2296 V A 1.6745
2297 P A 0.0649
2298 S A -0.3055
2299 S A 0.0302
2300 L A 1.5227
2301 A A 0.2076
2302 Q A -1.1748
2303 A A -0.4348
2304 Q A -1.2001
2305 T A -0.5810
2306 Q A -0.9275
2307 L A 1.2327
2308 G A -0.2093
2309 P A -0.5687
2310 Q A -1.2957
2311 P A -0.8914
2312 E A -1.5193
2313 V A 1.3928
2314 T A 0.2144
2315 P A -0.5770
2316 K A -2.1357
2317 R A -2.4666
2318 Q A -1.2676
2319 V A 1.8358
2320 L A 1.8914
2321 A A 0.3643
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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 -0.0168 4.67 View CSV PDB
4.5 -0.0489 4.67 View CSV PDB
5.0 -0.0873 4.67 View CSV PDB
5.5 -0.1267 4.67 View CSV PDB
6.0 -0.162 4.67 View CSV PDB
6.5 -0.1902 4.67 View CSV PDB
7.0 -0.2115 4.67 View CSV PDB
7.5 -0.2282 4.67 View CSV PDB
8.0 -0.242 4.67 View CSV PDB
8.5 -0.2522 4.67 View CSV PDB
9.0 -0.2575 4.67 View CSV PDB