Project name: 4ddd2d506cf5fcf

Status: done

Started: 2026-04-24 13:29:56
Chain sequence(s) A: MFNNNNNDKINNTMMSNNPSGQIINLESIDCNSNLSNTTSIKDSNNNNNNNNNNNNNINNNINKINPNIDRKVLDDFNSKSIKIIDNKLNKKNSKKNLYSKEVDDDINKINLNKKIIPNETNSNNSNNNNNNSNNNNNNNNNNNNFNYNNNINSNNNIINNNNNINNNSNNNNNNNNNNSISLYVDTQEKSKKKVNAESLRGPIIFQNFILYTFFLIVIGTAEGTSWAPEIRVANFVPYCVMCVVLLEFNRLHKKPLLRIIFPLYTSNIPFAYMCIFSREARKYVLISLLFFASCLCIFLQSGIPDLRKHIVIFCIIFMINYGCCILFMDWFYIDTTGTKPYRGRILATKIHWGEEATILVSMALLGCIFIVLEKFIKSYARCVAEQHYQIQCLQKEKEKLQTEINISLKKLDLDTPIEKIMDILRSMINTSESENDKKQLIKVIAVLGSNKLYDPDFKFETCTDDAEVYSWLQSMLNREVGYSNVNNNNNMMMIENNNNNTIINNNLIEPTSPNFSKKLTSSDLIPRIRSMPEITDQGIQELIINNFLEWDFPVFQLSEITDGNPLFYMSYFLFSRHKFFEKFKIGIDCFKNFMRKIESGYDSTNPYHNSIHATDVLHNLNYFIEKSFGKFLTDIELFSMILAAIIHDFKHPGVNNHFQINSKSRLALKYNDKSILENYHLHQAFIIMNEPESGILLKLSDSVRKEIRETIIALVLSTDMAKHFNLVGRFKSMANSFPTTTNTQQPSSSSSSSSSTTIPTSTITPTPNSTTSTTTTTTTTTTTTNNNNNNNSNNNSLNNIINNCSSSNGSMGASGADNSNSNNTNNSNSNNQNQCGSSIFLNSNKKDRLLLMKISIKCADISNPSKPWNLYTNWSNRVTSEFYKQGDKEKESNMDVSAFMDRNKPATTKCQINFINIFVAPIYEIWSHHFPQFKLCYQNILSNLSRLEIEQQQQLQLQQQQQQQLQQQQQQQQQIHQQQQQQLHHHQQQQQFQHQQHQQQLQHQHQQQLNNQNQNQNQSNSNNSNSFGLTQSNYLIVV
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       PDB-Info: The input structure is partially or entirely disordered. Average score is   
                       recommended for pH analysis.                                                (00:00:11)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:11)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:49)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/4ddd2d506cf5fcf/tmp/folded.pdb                (00:29:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:04)
Show buried residues

Minimal score value
-4.8362
Maximal score value
4.2296
Average score
-0.9428
Total score value
-979.5766

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 1.6650
2 F A 1.4733
3 N A -0.8512
4 N A -2.4419
5 N A -3.1493
6 N A -3.4169
7 N A -3.5626
8 D A -3.1674
9 K A -2.3339
10 I A -0.1112
11 N A -1.3428
12 N A -1.3447
13 T A -0.2675
14 M A 1.2249
15 M A 1.1723
16 S A -0.3216
17 N A -1.9061
18 N A -2.1780
19 P A -1.4921
20 S A -0.9095
21 G A -0.7157
22 Q A -0.2197
23 I A 2.0513
24 I A 2.4925
25 N A 0.1717
26 L A 0.4705
27 E A -1.2206
28 S A -0.1645
29 I A 0.8127
30 D A -0.7508
31 C A -0.4482
32 N A -1.6292
33 S A -1.0245
34 N A -0.8224
35 L A 0.4371
36 S A -0.3935
37 N A -1.1141
38 T A -0.8046
39 T A -0.0674
40 S A 0.3548
41 I A 0.7507
42 K A -1.7139
43 D A -2.6060
44 S A -2.4338
45 N A -2.7085
46 N A -2.8902
47 N A -3.0906
48 N A -3.0631
49 N A -3.0255
50 N A -3.0270
51 N A -3.1841
52 N A -3.2513
53 N A -3.2664
54 N A -3.0748
55 N A -3.0429
56 N A -2.5054
57 N A -1.4218
58 I A 0.2290
59 N A -1.6260
60 N A -1.8545
61 N A -1.4877
62 I A 0.3329
63 N A -1.1051
64 K A -1.1368
65 I A 0.3837
66 N A -1.0856
67 P A -1.0564
68 N A -1.2641
69 I A -0.2015
70 D A -2.1902
71 R A -3.0054
72 K A -2.6982
73 V A -0.7661
74 L A -0.7286
75 D A -2.9072
76 D A -1.8056
77 F A -0.0489
78 N A -1.0989
79 S A -1.0852
80 K A -1.3231
81 S A -0.0321
82 I A 0.8994
83 K A -0.8220
84 I A 0.8143
85 I A 0.9429
86 D A -1.7273
87 N A -2.3874
88 K A -2.0343
89 L A -1.9500
90 N A -3.3964
91 K A -4.4389
92 K A -4.5668
93 N A -4.0168
94 S A -3.0916
95 K A -3.1855
96 K A -3.4311
97 N A -2.6706
98 L A -0.9981
99 Y A -0.6504
100 S A -1.6098
101 K A -3.0271
102 E A -2.8045
103 V A -1.0098
104 D A -3.2376
105 D A -4.0350
106 D A -2.8352
107 I A -0.5725
108 N A -2.2822
109 K A -2.0872
110 I A 0.0343
111 N A -1.4367
112 L A -0.5324
113 N A -1.8199
114 K A -2.0809
115 K A -1.2992
116 I A 1.6761
117 I A 1.9954
118 P A 0.2949
119 N A -1.9168
120 E A -2.8072
121 T A -1.9296
122 N A -2.0531
123 S A -1.8079
124 N A -2.3407
125 N A -2.5281
126 S A -2.1688
127 N A -2.7131
128 N A -3.0911
129 N A -3.1616
130 N A -3.2114
131 N A -2.9778
132 N A -2.7410
133 S A -2.1836
134 N A -2.6147
135 N A -3.0936
136 N A -3.2309
137 N A -3.2066
138 N A -3.1968
139 N A -3.2087
140 N A -3.2048
141 N A -3.1940
142 N A -3.1699
143 N A -3.1511
144 N A -2.4206
145 N A -1.5793
146 F A 0.6702
147 N A -0.1995
148 Y A 0.2051
149 N A -1.7841
150 N A -1.8321
151 N A -1.4610
152 I A 0.4404
153 N A -0.9389
154 S A -1.3616
155 N A -2.5503
156 N A -2.1829
157 N A -0.6624
158 I A 1.8613
159 I A 1.8155
160 N A -0.8544
161 N A -2.4265
162 N A -3.1342
163 N A -2.4032
164 N A -1.3750
165 I A 0.1574
166 N A -1.5050
167 N A -2.2522
168 N A -2.6221
169 S A -2.0504
170 N A -2.5771
171 N A -3.0520
172 N A -3.1280
173 N A -3.3078
174 N A -3.4158
175 N A -3.3446
176 N A -3.6246
177 N A -3.1612
178 N A -2.6369
179 N A -1.7756
180 S A -0.2223
181 I A 1.0879
182 S A 0.6823
183 L A 1.5442
184 Y A 1.7530
185 V A 0.6033
186 D A -1.3037
187 T A -1.5361
188 Q A -2.7308
189 E A -3.9818
190 K A -4.2963
191 S A -3.5645
192 K A -4.2283
193 K A -4.5694
194 K A -3.7447
195 V A -1.5021
196 N A -2.2265
197 A A -2.1177
198 E A -2.4150
199 S A -1.1376
200 L A -0.5261
201 R A -2.1124
202 G A -1.2857
203 P A 0.0083
204 I A 0.2900
205 I A 0.8724
206 F A 2.4624
207 Q A 1.3125
208 N A 0.0000
209 F A 2.7666
210 I A 2.3351
211 L A 0.0000
212 Y A 0.0000
213 T A 1.7961
214 F A 2.1940
215 F A 0.0000
216 L A 2.0676
217 I A 2.5990
218 V A 1.4399
219 I A 0.9937
220 G A 0.6406
221 T A 0.2121
222 A A 0.0000
223 E A -1.8250
224 G A -0.9731
225 T A -0.7600
226 S A -1.0244
227 W A -0.8865
228 A A 0.0000
229 P A -1.8042
230 E A -2.6174
231 I A 0.0000
232 R A -1.6268
233 V A 0.8632
234 A A 0.8494
235 N A 0.0000
236 F A 2.1129
237 V A 2.8294
238 P A 1.9282
239 Y A 0.0000
240 C A 2.5056
241 V A 3.4996
242 M A 2.7787
243 C A 0.0000
244 V A 3.2731
245 V A 2.8334
246 L A 1.9688
247 L A 1.4101
248 E A -0.2469
249 F A 0.9325
250 N A 0.0000
251 R A -1.5963
252 L A -0.2366
253 H A -1.4334
254 K A -2.5775
255 K A -2.2505
256 P A -1.4278
257 L A -0.3590
258 L A -0.4059
259 R A -1.5295
260 I A -0.3168
261 I A 0.5067
262 F A 0.5068
263 P A 0.0000
264 L A 0.0000
265 Y A 0.9759
266 T A 0.0000
267 S A 0.0000
268 N A 0.0000
269 I A 1.6247
270 P A 0.0000
271 F A 0.0000
272 A A 0.8047
273 Y A 0.7854
274 M A 0.0000
275 C A 0.0000
276 I A 0.7775
277 F A 0.1234
278 S A 0.0000
279 R A 0.0000
280 E A -1.4302
281 A A 0.0000
282 R A -2.2098
283 K A -1.0812
284 Y A -0.0464
285 V A 0.7081
286 L A 1.7155
287 I A 0.0000
288 S A 0.0000
289 L A 1.4369
290 L A 1.5931
291 F A 0.0000
292 F A 0.0000
293 A A 0.5862
294 S A 0.4347
295 C A 0.0000
296 L A 0.0000
297 C A 0.2678
298 I A -0.0038
299 F A 0.0000
300 L A -0.1887
301 Q A -1.3343
302 S A -0.9421
303 G A -1.3107
304 I A 0.0000
305 P A -1.5237
306 D A -2.8334
307 L A 0.0000
308 R A -2.2866
309 K A -2.2787
310 H A -0.9985
311 I A 0.0000
312 V A 0.6957
313 I A 1.1653
314 F A 0.0000
315 C A 0.0000
316 I A 2.9011
317 I A 2.5538
318 F A 0.0000
319 M A 2.3223
320 I A 2.9087
321 N A 1.7516
322 Y A 0.0000
323 G A 1.3837
324 C A 1.5884
325 C A 0.0000
326 I A 0.0000
327 L A 1.3387
328 F A 1.8165
329 M A 0.0000
330 D A 0.9045
331 W A 1.9013
332 F A 1.4130
333 Y A 0.0000
334 I A 1.2886
335 D A 0.0699
336 T A -0.2529
337 T A -0.5881
338 G A -1.0358
339 T A -0.7417
340 K A -1.1407
341 P A -0.5884
342 Y A 0.5272
343 R A -0.4106
344 G A -0.6026
345 R A -1.6707
346 I A -0.3986
347 L A -0.3162
348 A A -0.9232
349 T A -1.1572
350 K A -1.5355
351 I A -1.0583
352 H A -1.3086
353 W A -0.0996
354 G A -0.6709
355 E A -1.0947
356 E A 0.0000
357 A A 0.2562
358 T A 0.3404
359 I A 0.0000
360 L A 1.8155
361 V A 2.2831
362 S A 1.6342
363 M A 0.0000
364 A A 2.3030
365 L A 2.8843
366 L A 2.1693
367 G A 0.0000
368 C A 2.8174
369 I A 3.2988
370 F A 0.0000
371 I A 1.7129
372 V A 2.7115
373 L A 2.1541
374 E A 0.0000
375 K A -0.0595
376 F A 1.9027
377 I A 1.2264
378 K A -0.4706
379 S A 0.1499
380 Y A 1.1258
381 A A -0.1812
382 R A -1.5760
383 C A -0.3493
384 V A -0.3769
385 A A -0.9774
386 E A -2.0825
387 Q A -1.6512
388 H A -1.0996
389 Y A -0.0375
390 Q A -0.6489
391 I A 0.1181
392 Q A -1.4858
393 C A -1.1340
394 L A -1.1367
395 Q A -2.8318
396 K A -4.1750
397 E A -3.8334
398 K A -4.5452
399 E A -4.8362
400 K A -4.4582
401 L A -2.8661
402 Q A -3.0606
403 T A -2.2170
404 E A -1.9804
405 I A -0.7962
406 N A -1.1979
407 I A 0.3783
408 S A -0.3402
409 L A -0.5032
410 K A -1.6226
411 K A -1.6990
412 L A -0.2233
413 D A -1.4844
414 L A -0.4979
415 D A -2.2193
416 T A -1.5444
417 P A -1.1873
418 I A -0.9566
419 E A -2.3734
420 K A -2.1538
421 I A -0.2895
422 M A -0.4354
423 D A -1.5990
424 I A 0.8835
425 L A 0.0000
426 R A -1.4233
427 S A -0.6381
428 M A -0.4827
429 I A -1.5303
430 N A -1.9383
431 T A -1.2495
432 S A -1.9656
433 E A -2.8719
434 S A -3.0219
435 E A -3.9279
436 N A -3.6742
437 D A -3.4370
438 K A -3.3914
439 K A -3.1875
440 Q A -2.7050
441 L A -1.0778
442 I A 0.0174
443 K A -0.9851
444 V A 0.5452
445 I A 0.6453
446 A A 0.8472
447 V A 1.3496
448 L A 0.7817
449 G A -0.3645
450 S A -0.5937
451 N A -1.7553
452 K A -2.2673
453 L A -0.5290
454 Y A -1.1555
455 D A -1.9517
456 P A -1.2309
457 D A -1.7068
458 F A -0.2320
459 K A -1.1947
460 F A 0.1600
461 E A -1.4472
462 T A -0.7916
463 C A -0.3498
464 T A -0.9721
465 D A -2.1004
466 D A -1.2854
467 A A -0.7146
468 E A -1.0775
469 V A 0.0000
470 Y A 0.6931
471 S A 0.0510
472 W A 0.0000
473 L A 0.0000
474 Q A -0.3124
475 S A 0.0000
476 M A -0.0013
477 L A 0.0000
478 N A -1.3757
479 R A -1.4652
480 E A -1.4230
481 V A 0.7348
482 G A 0.1523
483 Y A 1.1721
484 S A 0.1502
485 N A -0.6851
486 V A 0.2594
487 N A -1.9068
488 N A -2.5962
489 N A -2.8362
490 N A -2.6229
491 N A -1.3484
492 M A 0.7384
493 M A 2.1326
494 M A 2.2927
495 I A 1.4672
496 E A -1.3549
497 N A -2.8210
498 N A -3.2604
499 N A -3.1787
500 N A -2.8185
501 N A -1.7760
502 T A 0.3228
503 I A 2.4772
504 I A 2.1799
505 N A -0.7803
506 N A -1.8766
507 N A -1.0171
508 L A 1.3091
509 I A 1.6131
510 E A -0.8798
511 P A -0.8415
512 T A -0.7395
513 S A -0.6991
514 P A -0.5952
515 N A -0.5523
516 F A 0.8038
517 S A -0.4835
518 K A -1.9411
519 K A -2.1875
520 L A -0.4536
521 T A -0.4934
522 S A -0.4097
523 S A -0.4358
524 D A -0.9555
525 L A -0.9433
526 I A -0.8670
527 P A -1.7061
528 R A -2.5975
529 I A 0.0000
530 R A -2.8836
531 S A -1.9856
532 M A 0.0000
533 P A -1.4764
534 E A -2.1566
535 I A 0.0000
536 T A -2.0094
537 D A -2.5084
538 Q A -2.7820
539 G A -1.7469
540 I A 0.0000
541 Q A -2.1033
542 E A -2.8782
543 L A -1.3455
544 I A 0.0000
545 I A -0.8096
546 N A -1.8659
547 N A -1.5611
548 F A 0.0000
549 L A -0.8507
550 E A -2.1299
551 W A 0.0000
552 D A -1.5211
553 F A 0.0000
554 P A -0.7173
555 V A 0.0000
556 F A -0.6233
557 Q A -1.3958
558 L A 0.0000
559 S A -1.4974
560 E A -2.3838
561 I A -0.9598
562 T A 0.0000
563 D A -2.5266
564 G A -1.9041
565 N A -1.4270
566 P A 0.0000
567 L A 0.0000
568 F A 0.0000
569 Y A -0.0162
570 M A 0.0000
571 S A 0.0000
572 Y A 0.0000
573 F A 0.0000
574 L A 0.0000
575 F A 0.0000
576 S A -1.1971
577 R A -0.9756
578 H A -1.3679
579 K A -2.4954
580 F A 0.0000
581 F A -1.7445
582 E A -2.9810
583 K A -2.5887
584 F A 0.0000
585 K A -2.8112
586 I A 0.0000
587 G A -1.3426
588 I A -0.4075
589 D A -1.9581
590 C A -1.6628
591 F A 0.0000
592 K A -1.8333
593 N A -2.1859
594 F A 0.0000
595 M A 0.0000
596 R A -2.3875
597 K A -1.9075
598 I A 0.0000
599 E A 0.0000
600 S A -1.4937
601 G A -1.3771
602 Y A 0.0000
603 D A -1.5627
604 S A -0.8816
605 T A -0.5786
606 N A 0.0000
607 P A -0.6620
608 Y A 0.0000
609 H A -0.6054
610 N A 0.0000
611 S A 0.0000
612 I A 0.0858
613 H A 0.0000
614 A A 0.0000
615 T A 0.0000
616 D A 0.0000
617 V A 0.0000
618 L A 0.0000
619 H A 0.0000
620 N A 0.0000
621 L A 0.0000
622 N A 0.0000
623 Y A 0.0000
624 F A 0.0000
625 I A 0.0000
626 E A -0.7652
627 K A -0.9986
628 S A 0.0000
629 F A 0.0000
630 G A -0.7856
631 K A -1.1475
632 F A -0.0714
633 L A -0.0625
634 T A -0.4079
635 D A -1.1866
636 I A -0.3192
637 E A 0.0000
638 L A 0.0000
639 F A 0.0000
640 S A 0.0000
641 M A 0.0000
642 I A 0.0000
643 L A 0.0000
644 A A 0.0000
645 A A 0.0000
646 I A 0.0000
647 I A 0.0000
648 H A 0.0000
649 D A -0.5307
650 F A 0.0000
651 K A -1.4127
652 H A 0.0000
653 P A -0.7126
654 G A -0.6172
655 V A 0.0000
656 N A -0.2535
657 N A -0.7519
658 H A -0.8576
659 F A -0.6279
660 Q A 0.0000
661 I A -1.4185
662 N A -1.7007
663 S A -1.6086
664 K A -2.1085
665 S A -1.7649
666 R A -2.1907
667 L A -1.4176
668 A A 0.0000
669 L A -0.9910
670 K A -2.0862
671 Y A -1.8574
672 N A -2.3113
673 D A -2.6385
674 K A -2.6294
675 S A -1.3669
676 I A 0.0000
677 L A 0.0000
678 E A 0.0000
679 N A -0.7821
680 Y A -0.6916
681 H A 0.0000
682 L A 0.0000
683 H A -0.2805
684 Q A -0.0816
685 A A 0.0000
686 F A 0.0000
687 I A 1.4475
688 I A 0.0752
689 M A 0.0000
690 N A -0.5194
691 E A -1.1129
692 P A -1.4754
693 E A -2.5735
694 S A 0.0000
695 G A 0.0000
696 I A 0.0000
697 L A 0.0000
698 L A -1.0955
699 K A -1.9896
700 L A -1.5048
701 S A -1.5696
702 D A -2.7551
703 S A -1.9897
704 V A -1.5425
705 R A -2.5393
706 K A -3.3251
707 E A -2.4978
708 I A 0.0000
709 R A -1.8111
710 E A -1.5754
711 T A 0.0000
712 I A 0.0000
713 I A 0.1230
714 A A 0.1650
715 L A 0.0000
716 V A 0.0000
717 L A 0.1221
718 S A 0.0000
719 T A -0.0955
720 D A 0.0000
721 M A -0.0607
722 A A -0.7656
723 K A -0.6963
724 H A 0.0000
725 F A -0.5339
726 N A -1.3453
727 L A 0.0000
728 V A -0.8817
729 G A -1.3099
730 R A -2.0100
731 F A 0.0000
732 K A -2.5153
733 S A -1.7850
734 M A 0.0000
735 A A 0.0000
736 N A -1.8899
737 S A -0.8889
738 F A -0.1228
739 P A -0.3605
740 T A -0.3943
741 T A -0.3909
742 T A -0.9631
743 N A -1.8506
744 T A -1.7248
745 Q A -2.2275
746 Q A -2.6550
747 P A -2.6664
748 S A -2.3650
749 S A -1.4868
750 S A -0.9416
751 S A -0.5198
752 S A -0.5165
753 S A -0.5261
754 S A -0.5383
755 S A -0.5004
756 S A -0.4171
757 T A 0.1437
758 T A 0.7404
759 I A 1.7785
760 P A 0.7623
761 T A 0.3183
762 S A 0.3783
763 T A 0.7370
764 I A 1.8199
765 T A 0.7289
766 P A 0.0695
767 T A -0.3707
768 P A -1.0092
769 N A -1.5324
770 S A -0.9434
771 T A -0.5587
772 T A -0.2790
773 S A -0.3152
774 T A -0.2455
775 T A -0.2034
776 T A -0.1739
777 T A -0.1739
778 T A -0.1743
779 T A -0.1755
780 T A -0.1744
781 T A -0.1718
782 T A -0.1713
783 T A -0.1716
784 T A -0.4255
785 T A -1.0612
786 N A -2.2251
787 N A -2.8530
788 N A -3.1155
789 N A -3.0965
790 N A -3.1151
791 N A -3.0201
792 N A -2.7528
793 S A -2.1704
794 N A -2.7024
795 N A -2.7680
796 N A -2.1342
797 S A -0.9959
798 L A 0.4517
799 N A -0.6106
800 N A -0.1606
801 I A 1.7869
802 I A 1.6228
803 N A -0.4936
804 N A -0.9553
805 C A -0.3635
806 S A -0.4412
807 S A -0.6513
808 S A -1.0858
809 N A -1.6891
810 G A -1.0306
811 S A -0.2876
812 M A 0.6430
813 G A -0.0110
814 A A -0.1466
815 S A -0.4883
816 G A -0.9101
817 A A -1.3738
818 D A -2.5465
819 N A -2.5652
820 S A -1.9985
821 N A -2.0602
822 S A -1.8088
823 N A -2.2827
824 N A -2.2482
825 T A -1.9556
826 N A -2.3870
827 N A -2.3790
828 S A -1.9334
829 N A -2.3900
830 S A -2.1216
831 N A -2.9103
832 N A -3.1766
833 Q A -2.9509
834 N A -2.8271
835 Q A -2.2145
836 C A -0.5785
837 G A 0.0000
838 S A 0.0000
839 S A 0.3566
840 I A 0.4559
841 F A 0.0000
842 L A 0.7628
843 N A -0.8752
844 S A 0.0000
845 N A -2.3505
846 K A -2.6813
847 K A -2.6394
848 D A -2.0643
849 R A -1.3389
850 L A -1.0077
851 L A 0.0000
852 L A 0.0000
853 M A 0.0000
854 K A -0.1920
855 I A 0.0000
856 S A 0.0000
857 I A 0.0000
858 K A 0.0000
859 C A 0.0000
860 A A 0.0000
861 D A -0.2353
862 I A 0.0000
863 S A 0.0000
864 N A -0.1969
865 P A 0.0000
866 S A 0.0000
867 K A 0.0000
868 P A -0.5169
869 W A -0.6574
870 N A -1.2298
871 L A -0.7497
872 Y A 0.0000
873 T A -1.0098
874 N A -1.3166
875 W A 0.0000
876 S A 0.0000
877 N A -1.6259
878 R A -1.1124
879 V A -0.5297
880 T A -0.7635
881 S A -0.8461
882 E A 0.0000
883 F A -0.5448
884 Y A -1.1137
885 K A -1.4827
886 Q A 0.0000
887 G A 0.0000
888 D A -2.3419
889 K A -2.4911
890 E A 0.0000
891 K A -3.0235
892 E A -3.1338
893 S A -2.4505
894 N A -2.6904
895 M A -2.2213
896 D A -2.1644
897 V A -1.3595
898 S A -0.5831
899 A A -0.5532
900 F A 0.0000
901 M A 0.0000
902 D A -2.0254
903 R A -2.7052
904 N A -3.0083
905 K A -2.8199
906 P A -1.8829
907 A A -1.1088
908 T A -0.7723
909 T A 0.0000
910 K A -0.9944
911 C A 0.0000
912 Q A 0.0000
913 I A -0.7936
914 N A -0.3713
915 F A -0.1101
916 I A 0.0000
917 N A -0.9007
918 I A -0.2226
919 F A 0.0000
920 V A 0.0000
921 A A -0.5578
922 P A -0.5262
923 I A 0.0000
924 Y A 0.0000
925 E A -1.6082
926 I A -1.1362
927 W A 0.0000
928 S A 0.0000
929 H A -1.6187
930 H A -0.7927
931 F A 0.0000
932 P A -1.1312
933 Q A -1.2015
934 F A 0.0000
935 K A -1.7113
936 L A 0.2858
937 C A 0.0000
938 Y A -0.7489
939 Q A -0.9959
940 N A -0.3346
941 I A 0.0000
942 L A 0.0135
943 S A -0.4892
944 N A 0.0000
945 L A -0.7375
946 S A -0.8986
947 R A -1.6739
948 L A 0.0000
949 E A -2.2872
950 I A -0.5452
951 E A -1.9955
952 Q A -1.7437
953 Q A -1.9175
954 Q A -1.8532
955 Q A -1.4814
956 L A -0.5840
957 Q A -2.0757
958 L A -1.1164
959 Q A -2.5730
960 Q A -3.0412
961 Q A -3.1532
962 Q A -2.9820
963 Q A -3.4702
964 Q A -3.6985
965 Q A -3.4867
966 L A -2.0698
967 Q A -3.3402
968 Q A -3.5616
969 Q A -3.5718
970 Q A -3.5300
971 Q A -3.6405
972 Q A -3.0831
973 Q A -3.0329
974 Q A -3.5713
975 Q A -3.1630
976 I A -1.5615
977 H A -2.9447
978 Q A -3.1807
979 Q A -3.0133
980 Q A -2.7128
981 Q A -2.5942
982 Q A -2.8096
983 Q A -2.9697
984 L A -1.6352
985 H A -2.8681
986 H A -3.3248
987 H A -3.0233
988 Q A -3.2264
989 Q A -2.9641
990 Q A -3.0374
991 Q A -3.2753
992 Q A -3.0135
993 F A -1.5617
994 Q A -3.1079
995 H A -3.5553
996 Q A -3.4176
997 Q A -3.5260
998 H A -3.5657
999 Q A -3.6007
1000 Q A -3.6667
1001 Q A -3.6609
1002 L A -2.8653
1003 Q A -3.5620
1004 H A -3.5863
1005 Q A -3.6057
1006 H A -3.4009
1007 Q A -3.4540
1008 Q A -3.5574
1009 Q A -3.3010
1010 L A -2.7131
1011 N A -3.7091
1012 N A -3.9670
1013 Q A -4.0609
1014 N A -3.9972
1015 Q A -3.8292
1016 N A -3.9639
1017 Q A -3.9192
1018 N A -3.4887
1019 Q A -2.7021
1020 S A -1.8987
1021 N A -2.1074
1022 S A -1.8581
1023 N A -2.3097
1024 N A -2.3431
1025 S A -1.6945
1026 N A -1.3361
1027 S A -0.0250
1028 F A 1.6596
1029 G A 1.1485
1030 L A 1.5131
1031 T A 0.2597
1032 Q A -1.1157
1033 S A -0.9863
1034 N A -0.3281
1035 Y A 1.9232
1036 L A 3.2651
1037 I A 4.2296
1038 V A 4.0829
1039 V A 3.1036
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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 partially or entirely disordered. Average score is recommended for pH analysis.

pH
Average A4D Score
Max A4D Score
4.0 -0.6885 6.0725 View CSV PDB
4.5 -0.7376 6.0725 View CSV PDB
5.0 -0.7949 6.0725 View CSV PDB
5.5 -0.8453 6.0725 View CSV PDB
6.0 -0.876 6.0725 View CSV PDB
6.5 -0.8799 6.0725 View CSV PDB
7.0 -0.8583 6.0725 View CSV PDB
7.5 -0.8187 6.0725 View CSV PDB
8.0 -0.7687 6.0725 View CSV PDB
8.5 -0.7113 6.0725 View CSV PDB
9.0 -0.6461 6.0725 View CSV PDB