Project name: 75a670d26263e0c

Status: done

Started: 2025-05-13 02:38:38
Chain sequence(s) A: MSTPTDPGAMPHPGPSPGPGPSPGPILGPSPGPGPSPGSVHSMMGPSPGPPSVSHPMPTMGSTDFPQEGMHQMHKPIDGIHDKGIVEDIHCGSMKGTGMRPPHPGMGPPQSPMDQHSQGYMSPHPSPLGAPEHVSSPMSGGGPTPPQMPPSQPGALIPGDPQAMSQPNRGPSPFSPVQLHQLRAQILAYKMLARGQPLPETLQLAVQGKRTLPGLQQQQQQQQQQQQQQQQQQQQQQPQQQQQQQQQQQQPQQQPPQPQTQQQQQPALVNYNRPSGPGPELSGPSTPQKLPVPAPGGRPSPAPPAAAQPPAAAVPGPSVPQPAPGQPSPVLQLQQKQSRISPIQKPQGLDPVEILQEREYRLQARIAHRIQELENLPGSLPPDLRTKATVELKALRLLNFQRQLRQEVVACMRRDTTLETALNSKAYKRSKRQTLREARMTEKLEKQQKIEQERKRRQKHQEYLNSILQHAKDFKEYHRSVAGKIQKLSKAVATWHANTEREQKKETERIEKERMRRLMAEDEEGYRKLIDQKKDRRLAYLLQQTDEYVANLTNLVWEHKQAQAAKEKKKRRRRKKKAEENAEGGESALGPDGEPIDESSQMSDLPVKVTHTETGKVLFGPEAPKASQLDAWLEMNPGYEVAPRSDSEESDSDYEEEDEEEESSRQETEEKILLDPNSEEVSEKDAKQIIETAKQDVDDEYSMQYSARGSQSYYTVAHAISERVEKQSALLINGTLKHYQLQGLEWMVSLYNNNLNGILADEMGLGKTIQTIALITYLMEHKRLNGPYLIIVPLSTLSNWTYEFDKWAPSVVKISYKGTPAMRRSLVPQLRSGKFNVLLTTYEYIIKDKHILAKIRWKYMIVDEGHRMKNHHCKLTQVLNTHYVAPRRILLTGTPLQNKLPELWALLNFLLPTIFKSCSTFEQWFNAPFAMTGERVDLNEEETILIIRRLHKVLRPFLLRRLKKEVESQLPEKVEYVIKCDMSALQKILYRHMQAKGILLTDGSEKDKKGKGGAKTLMNTIMQLRKICNHPYMFQHIEESFAEHLGYSNGVINGAELYRASGKFELLDRILPKLRATNHRVLLFCQMTSLMTIMEDYFAFRNFLYLRLDGTTKSEDRAALLKKFNEPGSQYFIFLLSTRAGGLGLNLQAADTVVIFDSDWNPHQDLQAQDRAHRIGQQNEVRVLRLCTVNSVEEKILAAAKYKLNVDQKVIQAGMFDQKSSSHERRAFLQAILEHEEENEEEDEVPDDETLNQMIARREEEFDLFMRMDMDRRREDARNPKRKPRLMEEDELPSWIIKDDAEVERLTCEEEEEKIFGRGSRQRRDVDYSDALTEKQWLRAIEDGNLEEMEEEVRLKKRKRRRNVDKDPAKEDVEKAKKRRGRPPAEKLSPNPPKLTKQMNAIIDTVINYKDRCNVEKVPSNSQLEIEGNSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEESEDESNEEEEEEDEEESESEAKSVKVKIKLNKKDDKGRDKGKGKKRPNRGKAKPVVSDFDSDEEQDEREQSEGSGTDDE
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 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                                          (00:53:32)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/75a670d26263e0c/tmp/folded.pdb                (00:53:32)
[INFO]       Main:     Simulation completed successfully.                                          (01:23:26)
Show buried residues

Minimal score value
-7.0966
Maximal score value
2.5453
Average score
-1.4157
Total score value
-2267.8876

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 0.9347
2 S A 0.2104
3 T A -0.1184
4 P A -0.7395
5 T A -1.1309
6 D A -2.1192
7 P A -1.4878
8 G A -0.7452
9 A A 0.2246
10 M A 0.5935
11 P A -0.1979
12 H A -1.1130
13 P A -1.0322
14 G A -0.9983
15 P A -0.7287
16 S A -0.6819
17 P A -0.7002
18 G A -0.8789
19 P A -0.8443
20 G A -0.8798
21 P A -0.7252
22 S A -0.6782
23 P A -0.6978
24 G A -0.3664
25 P A 0.6618
26 I A 2.4486
27 L A 2.1826
28 G A 0.4541
29 P A -0.3357
30 S A -0.6757
31 P A -0.6951
32 G A -0.8734
33 P A -0.8364
34 G A -0.8761
35 P A -0.7230
36 S A -0.6776
37 P A -0.6936
38 G A -0.3492
39 S A 0.2502
40 V A 1.0363
41 H A -0.0877
42 S A 0.3279
43 M A 1.2271
44 M A 1.3157
45 G A 0.0313
46 P A -0.4620
47 S A -0.7363
48 P A -0.7663
49 G A -0.8321
50 P A -0.7536
51 P A -0.2558
52 S A 0.4383
53 V A 1.3361
54 S A 0.0797
55 H A -0.6906
56 P A -0.4081
57 M A 0.5810
58 P A 0.4227
59 T A 0.4585
60 M A 0.7022
61 G A -0.1006
62 S A -0.6425
63 T A -0.8571
64 D A -1.0040
65 F A 0.6801
66 P A -0.4707
67 Q A -1.8993
68 E A -2.4999
69 G A -1.4460
70 M A -0.3274
71 H A -0.9008
72 Q A -1.1510
73 M A -0.6366
74 H A -1.5474
75 K A -1.6718
76 P A -0.7745
77 I A 0.5664
78 D A -0.6219
79 G A -0.1451
80 I A 0.4836
81 H A -1.4931
82 D A -2.9440
83 K A -2.7009
84 G A -0.1090
85 I A 1.9112
86 V A 1.3743
87 E A -1.1052
88 D A -1.6444
89 I A 0.3858
90 H A -0.0599
91 C A 0.3296
92 G A -0.1636
93 S A -0.1106
94 M A -0.1269
95 K A -1.4528
96 G A -1.2283
97 T A -0.6935
98 G A -0.4528
99 M A -0.1417
100 R A -1.6221
101 P A -1.3834
102 P A -1.4108
103 H A -1.3234
104 P A -0.8750
105 G A -0.4951
106 M A 0.3865
107 G A -0.2494
108 P A -0.6650
109 P A -1.1208
110 Q A -1.5306
111 S A -0.7552
112 P A -0.4710
113 M A -0.2684
114 D A -2.1378
115 Q A -2.4295
116 H A -2.2908
117 S A -1.6569
118 Q A -1.4902
119 G A -0.3621
120 Y A 1.3067
121 M A 1.4543
122 S A 0.1528
123 P A -0.6659
124 H A -1.3811
125 P A -1.0472
126 S A -0.3812
127 P A 0.1054
128 L A 1.1325
129 G A 0.3219
130 A A -0.3862
131 P A -1.3977
132 E A -2.0847
133 H A -1.1244
134 V A 0.7983
135 S A 0.2918
136 S A 0.1142
137 P A 0.0431
138 M A 0.6819
139 S A -0.0585
140 G A -0.6857
141 G A -1.0188
142 G A -0.9764
143 P A -0.7471
144 T A -0.6506
145 P A -0.7572
146 P A -0.7885
147 Q A -0.9596
148 M A 0.2190
149 P A -0.3536
150 P A -0.6960
151 S A -0.9737
152 Q A -1.6140
153 P A -0.9237
154 G A -0.5305
155 A A 0.8445
156 L A 2.2948
157 I A 2.5453
158 P A 0.4417
159 G A -0.9839
160 D A -2.4838
161 P A -1.6565
162 Q A -1.5409
163 A A -0.4780
164 M A 0.3371
165 S A -0.5962
166 Q A -1.7806
167 P A -1.9411
168 N A -2.7544
169 R A -2.9091
170 G A -1.7457
171 P A -0.9556
172 S A -0.3811
173 P A 0.0653
174 F A 1.1142
175 S A 0.5407
176 P A 0.6000
177 V A 0.9350
178 Q A 0.0744
179 L A 0.0267
180 H A -0.4096
181 Q A -1.1650
182 L A 0.0748
183 R A -0.9838
184 A A 0.0000
185 Q A -0.2702
186 I A 1.0272
187 L A 1.0226
188 A A 0.0000
189 Y A 1.1186
190 K A -0.4925
191 M A -0.1331
192 L A 0.7943
193 A A -0.4420
194 R A -2.0122
195 G A -1.3200
196 Q A -1.4231
197 P A -0.8059
198 L A -0.1834
199 P A -1.1080
200 E A -1.9365
201 T A -1.2067
202 L A -1.0056
203 Q A -1.8401
204 L A -1.8879
205 A A -1.7236
206 V A -1.5278
207 Q A -2.2487
208 G A -2.2094
209 K A -3.1419
210 R A -2.4394
211 T A -0.6565
212 L A 0.6412
213 P A -0.5453
214 G A -1.0797
215 L A -1.2278
216 Q A -2.8054
217 Q A -3.7668
218 Q A -4.0895
219 Q A -4.4370
220 Q A -4.6973
221 Q A -4.8935
222 Q A -4.8592
223 Q A -4.9589
224 Q A -4.9338
225 Q A -4.8418
226 Q A -4.7680
227 Q A -4.6995
228 Q A -4.4344
229 Q A -4.4419
230 Q A -4.4181
231 Q A -4.0707
232 Q A -3.9718
233 Q A -4.1160
234 Q A -3.8084
235 Q A -3.4974
236 Q A -3.5615
237 Q A -3.5075
238 P A -2.9263
239 Q A -3.5540
240 Q A -3.7744
241 Q A -3.8444
242 Q A -3.9861
243 Q A -4.0967
244 Q A -3.8135
245 Q A -3.7555
246 Q A -3.7018
247 Q A -3.5357
248 Q A -3.1671
249 Q A -2.8790
250 Q A -2.5969
251 P A -1.9999
252 Q A -2.4449
253 Q A -2.4823
254 Q A -2.2118
255 P A -1.5484
256 P A -1.3001
257 Q A -1.7848
258 P A -1.5498
259 Q A -1.8863
260 T A -1.7776
261 Q A -2.3213
262 Q A -2.7122
263 Q A -2.9808
264 Q A -2.7475
265 Q A -2.1325
266 P A -0.8112
267 A A 0.7532
268 L A 2.1047
269 V A 2.1636
270 N A 0.3015
271 Y A 0.0214
272 N A -1.7627
273 R A -2.3642
274 P A -1.7090
275 S A -0.9943
276 G A -0.8647
277 P A -0.8364
278 G A -1.2694
279 P A -1.2291
280 E A -1.3833
281 L A 0.4276
282 S A -0.0271
283 G A -0.4420
284 P A -0.6810
285 S A -0.5285
286 T A -0.5966
287 P A -1.2053
288 Q A -1.8560
289 K A -1.6291
290 L A 0.7493
291 P A 1.0054
292 V A 1.8587
293 P A 0.5812
294 A A 0.0673
295 P A -0.5919
296 G A -1.2128
297 G A -1.7038
298 R A -2.3529
299 P A -1.5569
300 S A -0.8780
301 P A -0.4486
302 A A -0.3005
303 P A -0.3915
304 P A -0.3318
305 A A -0.0843
306 A A -0.1995
307 A A -0.5380
308 Q A -1.3540
309 P A -1.0153
310 P A -0.6204
311 A A -0.0706
312 A A 0.4270
313 A A 0.9756
314 V A 1.5432
315 P A 0.4663
316 G A -0.3813
317 P A -0.1544
318 S A 0.3535
319 V A 1.2083
320 P A 0.0280
321 Q A -1.0689
322 P A -1.0053
323 A A -0.7348
324 P A -0.9217
325 G A -1.2050
326 Q A -1.6977
327 P A -1.2330
328 S A -0.3539
329 P A 0.6278
330 V A 2.0712
331 L A 2.0098
332 Q A 0.5178
333 L A 0.4451
334 Q A -1.6893
335 Q A -2.5547
336 K A -3.1580
337 Q A -2.7976
338 S A -1.6014
339 R A -1.3018
340 I A 1.1582
341 S A 0.5624
342 P A 0.4287
343 I A 1.0561
344 Q A -1.3517
345 K A -2.2997
346 P A -1.6201
347 Q A -1.9321
348 G A -1.0244
349 L A 0.1856
350 D A -0.8962
351 P A -0.0326
352 V A 0.6023
353 E A -1.5800
354 I A -0.4991
355 L A -0.1750
356 Q A -1.4696
357 E A -2.4298
358 R A -2.7232
359 E A -2.4950
360 Y A -1.3794
361 R A -2.7972
362 L A -1.7500
363 Q A -2.1708
364 A A -1.9827
365 R A -2.7551
366 I A -1.8301
367 A A -2.1464
368 H A -2.8564
369 R A -2.7242
370 I A -2.6016
371 Q A -3.2444
372 E A -3.3714
373 L A 0.0000
374 E A -2.6244
375 N A -2.4847
376 L A -1.3127
377 P A -0.7568
378 G A -0.8140
379 S A -0.5042
380 L A -0.3911
381 P A -0.8026
382 P A -1.4797
383 D A -2.1988
384 L A -0.8101
385 R A -1.3982
386 T A -1.2105
387 K A -1.7714
388 A A 0.0000
389 T A -0.5623
390 V A 0.2758
391 E A -0.6428
392 L A -1.3216
393 K A -1.5370
394 A A -0.4698
395 L A -0.6182
396 R A -1.6210
397 L A -0.6289
398 L A -0.8175
399 N A -1.6365
400 F A -0.3821
401 Q A -2.0516
402 R A -3.4884
403 Q A -3.0080
404 L A -2.0157
405 R A -3.3072
406 Q A -3.0431
407 E A -2.7988
408 V A -0.9001
409 V A -1.1110
410 A A -1.5004
411 C A -1.2077
412 M A -1.1359
413 R A -2.5782
414 R A -3.0594
415 D A -2.7856
416 T A -1.6830
417 T A -1.0703
418 L A 0.0140
419 E A -1.1658
420 T A -0.5169
421 A A 0.1389
422 L A 0.3778
423 N A -1.3214
424 S A -1.4972
425 K A -2.3344
426 A A -1.1303
427 Y A -0.9552
428 K A -2.9305
429 R A -3.2949
430 S A -2.8774
431 K A -3.7111
432 R A -3.3650
433 Q A -2.7005
434 T A -1.6613
435 L A -0.4053
436 R A -2.2179
437 E A -2.1631
438 A A -1.9561
439 R A -2.8604
440 M A -1.7881
441 T A -2.3878
442 E A -4.1688
443 K A -3.8921
444 L A -2.0683
445 E A -4.1526
446 K A -4.1852
447 Q A -3.5930
448 Q A -3.9894
449 K A -3.9766
450 I A -2.1008
451 E A -3.8440
452 Q A -4.3608
453 E A -4.6837
454 R A -5.3816
455 K A -5.7085
456 R A -6.0904
457 R A -6.1228
458 Q A -5.5591
459 K A -5.3271
460 H A -4.3027
461 Q A -3.6993
462 E A -3.2640
463 Y A -0.8093
464 L A -0.3747
465 N A -1.3828
466 S A -0.6384
467 I A 0.4045
468 L A 0.4177
469 Q A -1.5147
470 H A -1.7093
471 A A -1.1938
472 K A -2.7905
473 D A -2.5995
474 F A -0.8568
475 K A -3.0187
476 E A -3.2371
477 Y A -0.9552
478 H A -2.2124
479 R A -2.8413
480 S A -1.5651
481 V A -0.9888
482 A A -1.1448
483 G A -1.6582
484 K A -1.8757
485 I A -0.1205
486 Q A -1.7817
487 K A -2.2961
488 L A -0.4545
489 S A -0.7327
490 K A -1.8843
491 A A -0.3141
492 V A 0.3426
493 A A -0.3038
494 T A -0.3255
495 W A -0.0547
496 H A -1.6512
497 A A -2.0119
498 N A -3.0206
499 T A -3.4425
500 E A -4.9334
501 R A -5.6022
502 E A -5.8974
503 Q A -5.6420
504 K A -5.9446
505 K A -6.0654
506 E A -5.3809
507 T A -4.6144
508 E A -5.3716
509 R A -4.9874
510 I A -3.5968
511 E A -3.8268
512 K A -4.2519
513 E A -3.6215
514 R A 0.0000
515 M A -2.6053
516 R A -3.2980
517 R A -3.1333
518 L A 0.0000
519 M A -1.8664
520 A A -1.6706
521 E A -2.4590
522 D A -2.6346
523 E A -2.7503
524 E A -2.7596
525 G A 0.0000
526 Y A 0.0000
527 R A -3.8875
528 K A -4.1569
529 L A -3.3503
530 I A 0.0000
531 D A -4.8865
532 Q A -4.0030
533 K A -3.9505
534 K A -4.6426
535 D A -3.8443
536 R A -3.5951
537 R A -2.5724
538 L A 0.0000
539 A A -2.0813
540 Y A -0.7598
541 L A -0.8318
542 L A 0.0000
543 Q A -1.9712
544 Q A -1.4968
545 T A 0.0000
546 D A -2.6293
547 E A -3.0511
548 Y A -1.8196
549 V A -1.5063
550 A A -1.7714
551 N A -2.0637
552 L A 0.0000
553 T A -1.1406
554 N A -1.6150
555 L A -1.0693
556 V A 0.0000
557 W A -0.5860
558 E A -2.0303
559 H A -1.2461
560 K A -1.3039
561 Q A -1.9540
562 A A -1.7537
563 Q A -1.9371
564 A A -2.3050
565 A A -2.7879
566 K A -4.0281
567 E A -4.2761
568 K A -5.2423
569 K A -5.8322
570 K A -6.3718
571 R A -6.9190
572 R A -7.0966
573 R A -7.0460
574 R A -6.8515
575 K A -6.7529
576 K A -6.6358
577 K A -6.1178
578 A A -4.9194
579 E A -5.4769
580 E A -5.3037
581 N A -4.6116
582 A A -3.5655
583 E A -3.5538
584 G A -2.8143
585 G A -2.2523
586 E A -2.3761
587 S A -0.7620
588 A A 0.2273
589 L A 0.6264
590 G A -0.2222
591 P A -1.2520
592 D A -2.4451
593 G A -1.5997
594 E A -2.0756
595 P A -0.7573
596 I A 0.3395
597 D A -2.2165
598 E A -2.5531
599 S A -1.7331
600 S A -2.4648
601 Q A -2.3534
602 M A -1.6651
603 S A -1.5505
604 D A -1.7624
605 L A 0.0444
606 P A -0.4871
607 V A -0.3991
608 K A -0.5192
609 V A 0.0000
610 T A -0.9854
611 H A -1.6519
612 T A -1.7373
613 E A -2.3105
614 T A -1.6547
615 G A -1.6269
616 K A -1.5427
617 V A -0.1470
618 L A 0.2993
619 F A 1.0689
620 G A 0.0228
621 P A -0.6995
622 E A -1.5400
623 A A 0.0000
624 P A 0.0000
625 K A -2.0112
626 A A 0.0000
627 S A -1.4464
628 Q A -2.0894
629 L A -1.5478
630 D A -2.3654
631 A A -1.3879
632 W A -0.9962
633 L A -1.3252
634 E A -1.7248
635 M A -0.1226
636 N A -0.8175
637 P A -0.9146
638 G A -1.1448
639 Y A -1.3050
640 E A -1.6057
641 V A -0.5484
642 A A -0.6768
643 P A -1.7161
644 R A -2.5791
645 S A -2.5296
646 D A -3.2372
647 S A -2.7373
648 E A -3.6505
649 E A -3.6455
650 S A -2.7812
651 D A -3.1910
652 S A -2.1269
653 D A -2.3518
654 Y A -1.1488
655 E A -3.1727
656 E A -3.9040
657 E A -4.4533
658 D A -4.7975
659 E A -4.7139
660 E A -4.7265
661 E A -4.3459
662 E A -3.6662
663 S A -2.5035
664 S A -2.3484
665 R A -3.3058
666 Q A -3.3495
667 E A -3.7363
668 T A -3.0886
669 E A -3.6484
670 E A -3.0267
671 K A -1.4930
672 I A 1.3800
673 L A 2.1346
674 L A 1.4496
675 D A -0.9826
676 P A -1.4488
677 N A -2.4984
678 S A -2.1721
679 E A -2.7268
680 E A -2.3057
681 V A -0.7264
682 S A -2.1494
683 E A -3.4335
684 K A -3.6035
685 D A -3.1088
686 A A -2.0318
687 K A -3.1283
688 Q A -2.7972
689 I A -0.4642
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1504 S A 0.0000
1505 I A 0.5811
1506 V A 0.4916
1507 L A 0.0000
1508 Q A -0.4689
1509 S A 0.0348
1510 V A -0.1523
1511 F A 0.0000
1512 K A -2.6255
1513 S A -1.6289
1514 A A 0.0000
1515 R A -2.7724
1516 Q A -3.2758
1517 K A -3.5831
1518 I A -2.8879
1519 A A -3.2279
1520 K A -4.7607
1521 E A -5.1527
1522 E A -5.2636
1523 E A -5.2197
1524 S A -4.7292
1525 E A -5.4073
1526 D A -5.3881
1527 E A -4.6415
1528 S A -3.9020
1529 N A -4.4489
1530 E A -4.4853
1531 E A -4.3219
1532 E A -4.7351
1533 E A -4.4884
1534 E A -4.3873
1535 E A -4.5377
1536 D A -4.3428
1537 E A -4.3232
1538 E A -4.0459
1539 E A -3.5722
1540 S A -2.4563
1541 E A -2.8017
1542 S A -2.2345
1543 E A -2.7737
1544 A A -1.7237
1545 K A -2.0370
1546 S A -0.5984
1547 V A 0.6995
1548 K A -0.4193
1549 V A 0.8542
1550 K A -0.3665
1551 I A 0.8615
1552 K A -0.5318
1553 L A 0.0328
1554 N A -2.1276
1555 K A -3.2010
1556 K A -4.1212
1557 D A -4.3946
1558 D A -3.9753
1559 K A -3.5474
1560 G A -3.0044
1561 R A -3.6992
1562 D A -3.7726
1563 K A -3.5472
1564 G A -2.7602
1565 K A -2.9113
1566 G A -2.7073
1567 K A -3.5910
1568 K A -3.6301
1569 R A -3.6388
1570 P A -2.6693
1571 N A -2.9114
1572 R A -3.4003
1573 G A -2.7567
1574 K A -2.7530
1575 A A -1.5435
1576 K A -1.6352
1577 P A 0.0073
1578 V A 1.8520
1579 V A 1.8584
1580 S A 0.3880
1581 D A -0.8221
1582 F A 0.1583
1583 D A -1.8834
1584 S A -2.3858
1585 D A -3.6494
1586 E A -4.3858
1587 E A -4.4730
1588 Q A -4.4346
1589 D A -4.6434
1590 E A -4.7574
1591 R A -4.5602
1592 E A -4.2926
1593 Q A -3.4056
1594 S A -2.5221
1595 E A -2.7865
1596 G A -1.7829
1597 S A -1.1115
1598 G A -1.3453
1599 T A -1.6445
1600 D A -3.1591
1601 D A -3.5675
1602 E A -3.0349
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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 -1.2118 5.0353 View CSV PDB
4.5 -1.3099 4.8678 View CSV PDB
5.0 -1.4361 4.8102 View CSV PDB
5.5 -1.5642 4.8102 View CSV PDB
6.0 -1.6662 4.8102 View CSV PDB
6.5 -1.7225 4.8102 View CSV PDB
7.0 -1.7296 4.8102 View CSV PDB
7.5 -1.7005 4.8102 View CSV PDB
8.0 -1.6513 4.8102 View CSV PDB
8.5 -1.5904 4.8102 View CSV PDB
9.0 -1.5192 4.8102 View CSV PDB