Project name: e8ef564828b046e

Status: done

Started: 2026-07-14 21:14:48
Chain sequence(s) A: MGKRTQPSWVTVFLFYSGCLFLLTNAQMKIPPETVQKWANSLSEQLNSVAVKYSGSALLQKKLNDVEPVIQIEKLDGAKLAQEFSDEIEKMLGSKMKSVKRLADTVEDADLYHEFNASLEFDYFNSLLINTMDEEGNYIELGGEFPLEDNEHFNNLPVNTLMSDIQVPTNVYNKDPDILNGVYMSEALNDVFISNFQKDPTLTWQFFGSSTGFFRLYPGIKWTADPNGVVAFDCRNRNWYIQAATSPKDIIIVVDISGSMKGLKLTIAKHTINTILDTLGENDFVNIIAYTDYVQYVEPCFKGTLVQADLDNREHFKLLVEDLQVKREGKVKKAMNESFWVLNQATEKGQGSLCNQAIMLITDGAMEDFQSVFEEFNWPERKVRVFTYLIGRDMTFAENVKWIACNNKGYYTHINTLADVQENVMEYLHVLSRPMVIDHDHDIIWTEAYMDSVLFNSMAQSLLLMTTVAMPVFSKKKETMSHGILLGVVGTDIPLVEVMMLAPRYKLGAHGYAFLITNNGYILAHPNLRPLYKDGKKLKPKPNYNSVDLTEAEWEDSNDTLRTAMVKGETGTLELDVRTAVDKGKRSLLLKNKYFYTTIDETPFSFGMVLTQGHGQYVFHGNVSIEEGLHDLQQPDLTIANEWTYCETDIDPQHRKLTQLQAVVRYLTGKEPELECDEVLLQQVLFDAVVTAPLEAYWTALMMSDAGVEDHIETAFLGTRSGLMRITRYIGKEERKGKNFLTPVDKENLFTMDHHPIWYRLAAENKPGQFYYYVPVDDINKEKNMLIAVTAVTVTAQNRIALAGAIGLQMSLNLLERRFWATAKEADDTDCSNVDGLCPLSCESIDINCYLVDNNGFIVISKERSDVGKFFGEVDGSVMAQLLKSGLFKRETLYDYQAMCKNSHHHASAARPLLSPFYNLMAVVKWLFSNLIMFFLEFNISGLWHNGFLVDAKSGYHTTHKQKKVESMVPCNTEYPGFIYDTSIRETNSIIKCGRCQKMFVLQQVLNSNLVMLVVQADCDCSRQYSPITLTPREENAKDCG
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]                                                (00:00:01)
[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.  (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:10)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:27:39)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/e8ef564828b046e/tmp/folded.pdb                (00:27:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:37)
Show buried residues

Minimal score value
-3.9252
Maximal score value
4.8711
Average score
-0.6347
Total score value
-660.7438

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 0.4598
2 G A -1.2401
3 K A -2.7285
4 R A -3.1245
5 T A -2.1044
6 Q A -1.8764
7 P A -0.6644
8 S A 0.6173
9 W A 2.3529
10 V A 3.5385
11 T A 3.1702
12 V A 4.2386
13 F A 4.8711
14 L A 4.3860
15 F A 4.4888
16 Y A 4.0418
17 S A 2.8982
18 G A 2.5103
19 C A 3.0407
20 L A 3.7307
21 F A 3.9326
22 L A 3.4606
23 L A 2.7985
24 T A 0.9606
25 N A -0.8655
26 A A -1.3200
27 Q A -2.0926
28 M A -1.7970
29 K A -1.3368
30 I A 0.0000
31 P A -1.1475
32 P A -1.9420
33 E A -2.4909
34 T A 0.0000
35 V A 0.0000
36 Q A -2.4977
37 K A -2.7008
38 W A 0.0000
39 A A 0.0000
40 N A -1.8648
41 S A -1.6437
42 L A 0.0000
43 S A 0.0000
44 E A -2.3760
45 Q A -1.5840
46 L A 0.0000
47 N A -1.1843
48 S A -1.0126
49 V A 0.0000
50 A A 0.0000
51 V A 0.0283
52 K A -0.6272
53 Y A -0.1305
54 S A 0.0000
55 G A 0.0000
56 S A 0.0000
57 A A -0.4335
58 L A -0.4044
59 L A 0.0000
60 Q A -1.6351
61 K A -2.6310
62 K A -2.0172
63 L A 0.0000
64 N A -2.6119
65 D A -2.6444
66 V A -1.0688
67 E A -1.1634
68 P A -0.3008
69 V A 0.8695
70 I A 0.0000
71 Q A -1.6739
72 I A 0.0000
73 E A -2.6469
74 K A -2.7450
75 L A -2.0912
76 D A -2.7618
77 G A 0.0000
78 A A -1.6677
79 K A -2.7974
80 L A -2.1344
81 A A 0.0000
82 Q A -2.5673
83 E A -3.3269
84 F A 0.0000
85 S A 0.0000
86 D A -3.9252
87 E A -3.2188
88 I A 0.0000
89 E A -3.4103
90 K A -3.2210
91 M A -1.4870
92 L A 0.0000
93 G A 0.0000
94 S A -1.3582
95 K A 0.0000
96 M A 0.0000
97 K A -2.3181
98 S A 0.0000
99 V A 0.0000
100 K A -2.5256
101 R A -2.4778
102 L A 0.0000
103 A A 0.0000
104 D A -2.7010
105 T A -1.7973
106 V A 0.0000
107 E A 0.0000
108 D A -1.3110
109 A A -0.4751
110 D A 0.0000
111 L A -0.0929
112 Y A 0.8882
113 H A 0.1356
114 E A -0.6982
115 F A 0.5714
116 N A -0.6551
117 A A -0.6923
118 S A -0.5739
119 L A -1.0676
120 E A -2.1139
121 F A -1.3305
122 D A -2.1660
123 Y A 0.0000
124 F A -0.2333
125 N A 0.0000
126 S A 0.0000
127 L A 0.2668
128 L A 0.1022
129 I A 0.0000
130 N A -1.0174
131 T A -0.5230
132 M A -1.1773
133 D A -2.5176
134 E A -3.2283
135 E A -3.3577
136 G A -2.2962
137 N A -2.4834
138 Y A -1.2733
139 I A -0.9697
140 E A -1.8006
141 L A 0.0000
142 G A 0.0000
143 G A -1.4046
144 E A -1.8941
145 F A 0.0000
146 P A -0.7790
147 L A -1.1176
148 E A -2.6949
149 D A -3.4836
150 N A -2.9443
151 E A -3.6674
152 H A -1.8107
153 F A 0.0000
154 N A -2.0857
155 N A -3.1543
156 L A -1.8897
157 P A -2.0658
158 V A 0.0000
159 N A 0.0000
160 T A 0.5879
161 L A 1.5261
162 M A 0.7043
163 S A 0.0000
164 D A 0.0000
165 I A 0.0000
166 Q A 0.0000
167 V A 0.0000
168 P A 0.0000
169 T A -0.1236
170 N A -0.7663
171 V A -0.0569
172 Y A 0.2603
173 N A -0.6812
174 K A -1.6343
175 D A -1.4098
176 P A -1.4938
177 D A -1.7677
178 I A 0.0000
179 L A 0.0000
180 N A 0.0000
181 G A -0.1133
182 V A 0.0000
183 Y A 0.3104
184 M A 0.4782
185 S A 0.0000
186 E A -0.4934
187 A A -0.6536
188 L A 0.0000
189 N A -0.6706
190 D A -1.3979
191 V A -0.8752
192 F A 0.0000
193 I A -0.1131
194 S A -1.0746
195 N A 0.0000
196 F A -0.8782
197 Q A -1.7926
198 K A -2.1731
199 D A -1.2262
200 P A -0.8629
201 T A -0.5298
202 L A 0.0000
203 T A 0.0000
204 W A 0.0000
205 Q A 0.0000
206 F A 0.0000
207 F A 0.0000
208 G A 0.0000
209 S A 0.0000
210 S A 0.0930
211 T A -0.4337
212 G A 0.0000
213 F A 0.0000
214 F A 0.0000
215 R A 0.0000
216 L A 0.0000
217 Y A 0.0000
218 P A 0.0000
219 G A 0.0000
220 I A 0.0000
221 K A -0.5121
222 W A 0.0094
223 T A -0.1683
224 A A -0.5370
225 D A -1.2815
226 P A -1.2602
227 N A -1.5861
228 G A -0.9278
229 V A -0.0241
230 V A 0.0000
231 A A 0.0918
232 F A 0.2301
233 D A 0.0000
234 C A 0.0000
235 R A 0.0000
236 N A -1.3201
237 R A -1.2477
238 N A -1.0501
239 W A 0.0000
240 Y A 0.0000
241 I A 0.0000
242 Q A -0.5202
243 A A 0.0000
244 A A 0.0000
245 T A 0.0000
246 S A -0.3926
247 P A -0.0441
248 K A 0.0000
249 D A 0.0000
250 I A 0.0000
251 I A 0.0000
252 I A 0.0000
253 V A 0.0000
254 V A 0.0000
255 D A 0.0000
256 I A 0.0000
257 S A 0.0000
258 G A -2.2206
259 S A -1.5660
260 M A 0.0000
261 K A -1.9832
262 G A -0.7813
263 L A 0.7701
264 K A -0.6186
265 L A 0.0000
266 T A -0.3805
267 I A 0.0000
268 A A 0.0000
269 K A -1.2430
270 H A -1.3113
271 T A 0.0000
272 I A 0.0000
273 N A -1.4531
274 T A -1.3660
275 I A 0.0000
276 L A 0.0000
277 D A -2.3193
278 T A 0.0000
279 L A 0.0000
280 G A 0.0000
281 E A 0.0000
282 N A -0.9520
283 D A 0.0000
284 F A 0.1174
285 V A 0.0000
286 N A 0.0000
287 I A 0.0000
288 I A 0.0000
289 A A 0.0000
290 Y A 0.0000
291 T A 0.0000
292 D A -1.9657
293 Y A -0.5017
294 V A -0.2018
295 Q A -0.5136
296 Y A 0.0000
297 V A 0.0000
298 E A 0.0000
299 P A -0.5119
300 C A -0.1409
301 F A -0.2812
302 K A -1.5865
303 G A -0.8175
304 T A -0.3854
305 L A 0.0000
306 V A -0.0985
307 Q A -0.5835
308 A A 0.0000
309 D A -1.2986
310 L A -1.8069
311 D A -2.7897
312 N A -1.7950
313 R A -2.1516
314 E A -2.7903
315 H A -1.5240
316 F A 0.0000
317 K A -1.7177
318 L A -0.5180
319 L A -0.7931
320 V A 0.0000
321 E A -2.6505
322 D A -2.6969
323 L A 0.0000
324 Q A -2.3295
325 V A -1.9620
326 K A -2.7214
327 R A -3.3479
328 E A -3.3491
329 G A -2.2936
330 K A -2.5235
331 V A 0.0000
332 K A -2.4575
333 K A -1.9482
334 A A 0.0000
335 M A 0.0000
336 N A -1.1830
337 E A -0.7734
338 S A 0.0000
339 F A 0.0000
340 W A 0.1530
341 V A 0.0000
342 L A 0.0000
343 N A -1.3905
344 Q A -1.7341
345 A A 0.0000
346 T A -1.6169
347 E A -3.0180
348 K A -3.1328
349 G A -1.8843
350 Q A -1.3213
351 G A -0.2049
352 S A 0.3596
353 L A 1.1011
354 C A 0.8184
355 N A -0.0687
356 Q A 0.0000
357 A A 0.0000
358 I A 0.0000
359 M A 0.0000
360 L A 0.0000
361 I A 0.0000
362 T A 0.0000
363 D A -0.6856
364 G A 0.0000
365 A A 0.0000
366 M A -0.8460
367 E A -2.6496
368 D A -3.1125
369 F A 0.0000
370 Q A -2.3801
371 S A -2.0948
372 V A 0.0000
373 F A 0.0000
374 E A -2.9606
375 E A -2.6053
376 F A -1.3295
377 N A 0.0000
378 W A -1.9613
379 P A -1.8319
380 E A -2.6384
381 R A -2.5496
382 K A -2.5032
383 V A 0.0000
384 R A -1.1369
385 V A 0.0000
386 F A 0.0000
387 T A 0.0000
388 Y A 0.0000
389 L A 0.0000
390 I A 0.0000
391 G A 0.0000
392 R A -2.6056
393 D A -2.0742
394 M A -0.6126
395 T A -0.4937
396 F A -0.4530
397 A A 0.0000
398 E A -2.0136
399 N A -1.4908
400 V A 0.0000
401 K A -1.3883
402 W A -0.6180
403 I A 0.0000
404 A A 0.0000
405 C A 0.0683
406 N A -0.5179
407 N A 0.0000
408 K A -1.5766
409 G A -0.5593
410 Y A 0.1711
411 Y A -0.0512
412 T A 0.0000
413 H A -0.8589
414 I A 0.0000
415 N A -1.0337
416 T A -0.1105
417 L A 0.3334
418 A A -0.4278
419 D A -0.8251
420 V A 0.0000
421 Q A -1.3742
422 E A -1.4107
423 N A -1.0742
424 V A 0.0000
425 M A 0.0000
426 E A -0.9364
427 Y A 0.0000
428 L A 0.0000
429 H A -0.4256
430 V A 0.0000
431 L A 0.0000
432 S A 0.0000
433 R A -0.6969
434 P A -0.7989
435 M A -1.4329
436 V A 0.0000
437 I A -0.4815
438 D A -2.2299
439 H A -2.4753
440 D A -3.1069
441 H A -2.4704
442 D A -2.3287
443 I A -1.0996
444 I A -0.1293
445 W A 0.0000
446 T A 0.0000
447 E A 0.0000
448 A A 0.0000
449 Y A 0.2342
450 M A 0.3313
451 D A 0.0347
452 S A -0.0406
453 V A 0.1971
454 L A 0.0000
455 F A -0.2235
456 N A -0.9898
457 S A -0.8235
458 M A -0.5591
459 A A -0.5664
460 Q A -1.1023
461 S A -0.7209
462 L A -0.0511
463 L A 0.0000
464 L A 0.1956
465 M A 0.0000
466 T A 0.0000
467 T A 0.0000
468 V A 0.0000
469 A A 0.0000
470 M A 0.0000
471 P A 0.0000
472 V A 0.0000
473 F A 0.0000
474 S A 0.0000
475 K A -1.4824
476 K A -1.7709
477 K A -2.9636
478 E A -2.9317
479 T A -1.5893
480 M A -1.4347
481 S A -1.2724
482 H A -1.1507
483 G A 0.0000
484 I A 0.4227
485 L A 0.0000
486 L A 0.3252
487 G A 0.0000
488 V A 0.0000
489 V A 0.0000
490 G A 0.0000
491 T A 0.0000
492 D A 0.0000
493 I A 0.0000
494 P A 0.0000
495 L A 0.0000
496 V A 0.1567
497 E A 0.0090
498 V A 0.0000
499 M A 0.2426
500 M A 0.2634
501 L A -0.2069
502 A A 0.0000
503 P A 0.0779
504 R A 0.0000
505 Y A 0.0000
506 K A -0.3339
507 L A 0.0000
508 G A 0.0000
509 A A 0.0000
510 H A 0.0000
511 G A 0.0000
512 Y A -0.1966
513 A A 0.0000
514 F A 0.0000
515 L A 0.0000
516 I A 0.0000
517 T A 0.0000
518 N A -1.8292
519 N A -1.2088
520 G A 0.0000
521 Y A 0.0000
522 I A 0.0000
523 L A 0.0000
524 A A 0.0000
525 H A 0.0000
526 P A -1.0210
527 N A -1.5208
528 L A -1.0276
529 R A -1.5253
530 P A -0.8061
531 L A -1.0140
532 Y A -1.2407
533 K A -2.7132
534 D A -2.3667
535 G A -2.1909
536 K A -3.1285
537 K A -3.0064
538 L A -2.0016
539 K A -1.4393
540 P A -0.5609
541 K A 0.0000
542 P A -0.6326
543 N A -0.8081
544 Y A -0.2003
545 N A -0.2300
546 S A -0.5261
547 V A 0.0000
548 D A -0.4233
549 L A 0.0000
550 T A -0.7665
551 E A -0.5830
552 A A 0.0000
553 E A 0.0000
554 W A -0.4757
555 E A -1.0039
556 D A 0.0000
557 S A -1.2087
558 N A -1.9995
559 D A -1.9722
560 T A -1.1178
561 L A 0.0000
562 R A -1.3358
563 T A -1.4738
564 A A 0.0000
565 M A 0.0000
566 V A -1.5683
567 K A -2.5232
568 G A -2.2962
569 E A -2.1515
570 T A -1.1768
571 G A -0.4923
572 T A -0.5916
573 L A -0.6948
574 E A -2.4194
575 L A -1.9599
576 D A -2.5464
577 V A 0.0000
578 R A -0.9707
579 T A -0.4276
580 A A -0.6093
581 V A 0.0000
582 D A -1.4510
583 K A -2.1818
584 G A -1.2453
585 K A -1.1936
586 R A 0.0000
587 S A 0.0000
588 L A -0.0480
589 L A -0.2022
590 L A 0.0000
591 K A -2.3450
592 N A 0.0000
593 K A -1.6719
594 Y A 0.0000
595 F A 0.0000
596 Y A 0.0000
597 T A 0.0000
598 T A -1.9121
599 I A 0.0000
600 D A -3.3771
601 E A -2.9702
602 T A -1.7079
603 P A -1.2248
604 F A 0.0000
605 S A 0.0000
606 F A 0.0000
607 G A 0.0000
608 M A 0.0000
609 V A 0.0000
610 L A 0.0000
611 T A 0.0000
612 Q A -1.8221
613 G A -1.0770
614 H A -0.6804
615 G A -0.9142
616 Q A -1.3957
617 Y A -1.2673
618 V A 0.0000
619 F A 0.0000
620 H A -0.7535
621 G A 0.0000
622 N A -0.9039
623 V A -0.7061
624 S A -0.8896
625 I A -0.7586
626 E A -2.4405
627 E A -2.6149
628 G A 0.0000
629 L A -1.4526
630 H A -2.2894
631 D A -1.7814
632 L A 0.0000
633 Q A -1.6890
634 Q A -1.2778
635 P A -0.7930
636 D A -0.6424
637 L A 0.0000
638 T A -0.4101
639 I A 0.0000
640 A A 0.0000
641 N A -1.6402
642 E A -1.4411
643 W A 0.0000
644 T A -0.7324
645 Y A 0.0000
646 C A 0.0000
647 E A -1.9085
648 T A 0.0000
649 D A -1.6129
650 I A -0.9543
651 D A -1.6293
652 P A -1.7539
653 Q A -1.9788
654 H A 0.0000
655 R A -2.2611
656 K A -2.6500
657 L A -1.3074
658 T A -0.9148
659 Q A -1.0007
660 L A -0.4036
661 Q A -0.7935
662 A A 0.0000
663 V A 0.0000
664 V A -0.6622
665 R A -1.3726
666 Y A -1.4177
667 L A -0.4568
668 T A -0.9760
669 G A -1.7924
670 K A -2.6198
671 E A -2.5597
672 P A -2.3321
673 E A -2.9896
674 L A 0.0000
675 E A -2.8045
676 C A -1.7603
677 D A -1.4590
678 E A -1.5327
679 V A -0.0311
680 L A 0.0000
681 L A 0.0000
682 Q A -0.6922
683 Q A 0.0000
684 V A 0.0000
685 L A 0.0000
686 F A 0.0000
687 D A 0.0000
688 A A 0.0000
689 V A -0.3794
690 V A 0.0000
691 T A 0.0000
692 A A -0.2714
693 P A -0.0847
694 L A 0.0000
695 E A -0.4743
696 A A -0.0263
697 Y A 0.2853
698 W A 0.0000
699 T A 0.3582
700 A A 0.4491
701 L A 0.3649
702 M A 0.7275
703 M A 0.8676
704 S A -0.2430
705 D A -1.4799
706 A A -0.6395
707 G A -0.4030
708 V A -0.2853
709 E A -1.0540
710 D A -2.0039
711 H A -1.5614
712 I A 0.0000
713 E A 0.0000
714 T A 0.0000
715 A A 0.0000
716 F A 0.0000
717 L A 0.0000
718 G A 0.0000
719 T A 0.0000
720 R A 0.0000
721 S A 0.0000
722 G A 0.0000
723 L A 0.0000
724 M A 0.0000
725 R A 0.0000
726 I A 0.0380
727 T A 0.0000
728 R A -0.4504
729 Y A -0.1791
730 I A -1.1617
731 G A -2.0661
732 K A -3.5196
733 E A -3.7931
734 E A -3.5752
735 R A 0.0000
736 K A -2.7487
737 G A 0.0000
738 K A -2.4219
739 N A -0.8327
740 F A 0.0000
741 L A 0.0000
742 T A -0.0226
743 P A 0.0116
744 V A 1.1595
745 D A 0.0000
746 K A -1.0763
747 E A -1.4688
748 N A 0.0000
749 L A -0.5395
750 F A 0.0000
751 T A 0.0000
752 M A -0.6659
753 D A -1.2569
754 H A -0.8625
755 H A 0.0000
756 P A 0.0000
757 I A 0.0000
758 W A 0.0000
759 Y A 0.0000
760 R A -0.5977
761 L A 0.0000
762 A A 0.0000
763 A A 0.0000
764 E A -1.6583
765 N A -1.6878
766 K A -2.3454
767 P A -1.4652
768 G A -1.1436
769 Q A -1.1962
770 F A 0.0000
771 Y A 0.0000
772 Y A 0.0000
773 Y A 0.0000
774 V A 0.0000
775 P A 0.0000
776 V A -1.4205
777 D A -2.1903
778 D A -2.4860
779 I A -1.3156
780 N A -2.3294
781 K A -3.2144
782 E A -3.2380
783 K A -2.1643
784 N A -1.6793
785 M A 0.0000
786 L A 0.0000
787 I A 0.0000
788 A A 0.0000
789 V A 0.0000
790 T A 0.0000
791 A A 0.0000
792 V A 0.0000
793 T A 0.0000
794 V A 0.0000
795 T A -0.7679
796 A A -1.3724
797 Q A -2.2698
798 N A -1.9749
799 R A -1.7683
800 I A 0.1557
801 A A 0.0000
802 L A 0.0000
803 A A 0.0000
804 G A 0.0000
805 A A 0.0000
806 I A 0.0000
807 G A 0.0000
808 L A 0.0000
809 Q A 0.0000
810 M A 0.0000
811 S A 0.0000
812 L A 0.0000
813 N A -1.2918
814 L A 0.0000
815 L A 0.0000
816 E A -1.5206
817 R A -2.1152
818 R A -1.2837
819 F A 0.0000
820 W A -1.2278
821 A A -1.0096
822 T A -1.0331
823 A A 0.0000
824 K A -1.7966
825 E A -1.7507
826 A A -2.0557
827 D A -3.0757
828 D A -3.1264
829 T A -2.3192
830 D A -2.5294
831 C A -1.4987
832 S A -1.2427
833 N A -1.6435
834 V A -0.9482
835 D A -2.0154
836 G A -1.2935
837 L A -0.3307
838 C A -0.6296
839 P A -1.0931
840 L A 0.0000
841 S A -1.2460
842 C A 0.0000
843 E A -1.8782
844 S A -0.5346
845 I A 0.6243
846 D A -0.8674
847 I A 0.0000
848 N A -1.0470
849 C A 0.0000
850 Y A 0.0000
851 L A 0.0000
852 V A 0.0000
853 D A 0.0000
854 N A -0.2151
855 N A 0.0000
856 G A 0.0000
857 F A 0.0000
858 I A 0.0000
859 V A 0.0000
860 I A 0.0000
861 S A 0.0000
862 K A -2.2758
863 E A -2.9807
864 R A -2.6167
865 S A -1.9414
866 D A -1.6091
867 V A 0.0000
868 G A -0.5650
869 K A -0.6810
870 F A 0.0000
871 F A 0.0000
872 G A 0.0000
873 E A -0.8405
874 V A -0.1517
875 D A -0.4055
876 G A 0.0000
877 S A 0.0000
878 V A 0.0000
879 M A 0.0000
880 A A -0.5272
881 Q A -0.8217
882 L A 0.0000
883 L A -1.3732
884 K A -1.9646
885 S A -1.1467
886 G A -1.2925
887 L A 0.0000
888 F A 0.0000
889 K A -2.1024
890 R A -2.3224
891 E A -1.3555
892 T A -0.7990
893 L A 0.0000
894 Y A -0.6491
895 D A -0.7591
896 Y A -0.4396
897 Q A 0.0000
898 A A -0.3547
899 M A -0.4712
900 C A -1.4404
901 K A -2.3393
902 N A -2.3772
903 S A -2.0063
904 H A -2.3327
905 H A -2.1833
906 H A -1.9303
907 A A -1.1654
908 S A -0.9012
909 A A -1.2406
910 A A -0.6984
911 R A -1.3237
912 P A -0.0276
913 L A 1.4536
914 L A 1.9745
915 S A 1.6826
916 P A 1.7554
917 F A 3.1842
918 Y A 2.8349
919 N A 1.6686
920 L A 2.8067
921 M A 2.2607
922 A A 1.9403
923 V A 2.9367
924 V A 2.7085
925 K A 0.9065
926 W A 2.3363
927 L A 2.8932
928 F A 3.0566
929 S A 1.8898
930 N A 1.6073
931 L A 2.6681
932 I A 2.9893
933 M A 2.9144
934 F A 2.9567
935 F A 3.4960
936 L A 2.8174
937 E A 1.0703
938 F A 2.3542
939 N A 0.7998
940 I A 2.0536
941 S A 0.9191
942 G A 0.6375
943 L A 1.6773
944 W A 1.1013
945 H A -0.7422
946 N A -1.0145
947 G A 0.1748
948 F A 2.4410
949 L A 2.6535
950 V A 1.9222
951 D A -0.7813
952 A A -1.1369
953 K A -2.0290
954 S A -1.2471
955 G A -0.6453
956 Y A 0.3240
957 H A -0.7042
958 T A -0.7835
959 T A -1.3554
960 H A -2.6368
961 K A -3.5335
962 Q A -3.3595
963 K A -3.4389
964 K A -2.7004
965 V A -0.6083
966 E A -1.9573
967 S A -1.0856
968 M A -0.7720
969 V A -0.0454
970 P A -0.2180
971 C A -1.1386
972 N A -1.9217
973 T A 0.0000
974 E A -1.8655
975 Y A -1.0754
976 P A -0.9352
977 G A 0.0000
978 F A 0.0000
979 I A -0.5723
980 Y A 0.0000
981 D A -0.7334
982 T A -0.5417
983 S A -0.4343
984 I A -0.4059
985 R A -1.2979
986 E A -2.1526
987 T A -1.4861
988 N A -1.5166
989 S A -0.5785
990 I A -0.3192
991 I A 0.0000
992 K A -2.3661
993 C A 0.0000
994 G A -2.5828
995 R A -2.6448
996 C A -2.3554
997 Q A -2.2121
998 K A 0.0000
999 M A 0.0000
1000 F A 0.0000
1001 V A 0.0000
1002 L A 0.0000
1003 Q A 0.0000
1004 Q A 0.0000
1005 V A 0.0000
1006 L A -0.5004
1007 N A -1.3282
1008 S A 0.0000
1009 N A 0.0000
1010 L A 0.0000
1011 V A 0.0000
1012 M A 0.0000
1013 L A 0.0000
1014 V A 0.0000
1015 V A 0.0000
1016 Q A 0.0000
1017 A A -1.2132
1018 D A -2.2772
1019 C A 0.0000
1020 D A -3.0458
1021 C A 0.0000
1022 S A -1.9122
1023 R A -2.8532
1024 Q A -2.5477
1025 Y A -1.2013
1026 S A -0.9377
1027 P A -0.7252
1028 I A -0.0767
1029 T A -0.2079
1030 L A -0.4207
1031 T A -0.7355
1032 P A -1.8304
1033 R A -3.4568
1034 E A -3.7521
1035 E A -3.3519
1036 N A -3.1834
1037 A A -2.3097
1038 K A -2.9147
1039 D A -2.5062
1040 C A -0.6613
1041 G A -0.9141
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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 -0.3318 8.2171 View CSV PDB
4.5 -0.4023 8.2171 View CSV PDB
5.0 -0.4898 8.2171 View CSV PDB
5.5 -0.5779 8.2171 View CSV PDB
6.0 -0.6494 8.2171 View CSV PDB
6.5 -0.6929 8.2171 View CSV PDB
7.0 -0.7079 8.2171 View CSV PDB
7.5 -0.7032 8.2171 View CSV PDB
8.0 -0.6865 8.2169 View CSV PDB
8.5 -0.6608 8.2164 View CSV PDB
9.0 -0.6256 8.2149 View CSV PDB