Project name: a45696ddd2098cf

Status: done

Started: 2025-03-24 21:20:03
Chain sequence(s) A: IVASGGTSGSVGGANGASGDATVNASVVTGALAGGKVTLSASDRLSVEAPLITSNLGGASRGLELIATGPAGAVDISAPILFRNGSLAIRAGGNINFLSGGTPQTSGIVDLGSGTLWMQTSTAGKISQQAGTALIAANLAGRAGSIDLASWDNYAGNLALQTFNGTLKYRQSNATGVTTSGTVFDPFINQSMTGTAQNIVSSVGTRILEANSVGTTGNYTLTADGNSEFDRLVFTALPYRRVSGSASFPTNDSSDYLVTNLRYQVNGSNVTATPNGGAPSGFTVAAGNGSVTTWTGNWGTSWGVKGFGGVIGVTDELQYDVGTGLTEELIFGLGGKTSRVDTRLDLFMREGAFNSFAERAQVEMFKTTTTAGDILSRQQTATLTANDATRVYGDVNPTLTATMSGINAIDAYVNSQFNDLYQATASTTATQASNVGQYAITGNANGSEYFSQRYQLVRQDGRLTVTPAQLIVSADAKTKVYGDADPTLTYQVSGLKNSDTAAGVLSGNLGRVAGENVGNYGILQGGLGLNTANYTLSYVGNDLRITPAQLNVIADAKTKVYGDLDPALTYQVSGLKRGDTAGAVLNGGSLSRVAGENVGVYGINQGGLGLVSSNYTLNYQGNNLTITKALLNVIADAKTKVYGDADPALTYQVSGLKNGDTAGAVLNGGSLSRVAGENVGVYGINQGGLGLLSANYDLSYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGSILTGGLNRAAGENVGVYGINQGDLALNSGNYDLSYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGGLVRVSGENVGNYAIQQGGLGLVSGNYDLAYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDSAGSILTGGLNRAAGENVGVYGINQGDLALNSGNYDLSYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGGLVRVSGENVGNYAIQQGGLGLVSGNYDLAYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGSLSRVAGENVGVYGINQGDLALNSGNYDLSYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGGLVRVSGENVGNYAIQQGGLGLVSGNYDLAYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDSAGSILTGGLNRAAGENVGVYGINQGDLALNSGNYDLSYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGGLVRVSGENVGNYAIQQGGLGLVSGNYDLAYQGNNLTITKALLNVIADAKTKVYGDADPSLTYQVSGLKNGDTAGAVLNGGSLSRVAGENVGVYGINQGGLGLVSGNYDLAYQGNNLTITKALLNVIADGKTKVYGDADPSLTYQVSGLKNGDSAGSILTGGLNRDAGENVGVYGINQGGLVLTSGNYDLAYQGNDLTITKALLNVFADAKSKQVGTADPALTYQVSGLKNGDSAGQVLAGGLGRVGGEAVGQYDILQGGLALTSGNYQLNYQGNLLSILPLPVTPGDLGQLAALSDLRELQKGRDPDTPGDAVYRTTTLENPFLENPFLRAYALGMDVSDPNLLPATAAGPAEDASAKRVGQFTDRPLRAEAESGAGCSNQSYLADYWSCFNKPLNF
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.  (00:00:10)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:10)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:07:48)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/a45696ddd2098cf/tmp/folded.pdb                (00:07:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:18)
Show buried residues

Minimal score value
-3.4554
Maximal score value
2.7197
Average score
-0.5754
Total score value
-985.0804

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 I A 2.7197
2 V A 2.3932
3 A A 0.8233
4 S A -0.0556
5 G A -0.8442
6 G A -0.9354
7 T A -0.6737
8 S A -0.0062
9 G A -0.1072
10 S A 0.7724
11 V A 1.5099
12 G A 0.2958
13 G A -0.1601
14 A A -0.5686
15 N A -1.0370
16 G A -1.2195
17 A A -1.0698
18 S A -1.0363
19 G A -1.4805
20 D A -2.4704
21 A A -0.8876
22 T A -0.3751
23 V A 0.7534
24 N A -0.7350
25 A A -0.5835
26 S A -0.3215
27 V A 0.2098
28 V A 0.0000
29 T A -0.2271
30 G A -0.4016
31 A A -0.4576
32 L A 0.0000
33 A A -0.7956
34 G A -1.0072
35 G A -1.1074
36 K A -0.6606
37 V A 0.0000
38 T A 0.0000
39 L A 1.1885
40 S A -0.0094
41 A A -1.3153
42 S A -1.8593
43 D A -3.0143
44 R A -3.0303
45 L A -1.6023
46 S A -1.0313
47 V A 0.0000
48 E A -1.9661
49 A A -1.1324
50 P A -0.5740
51 L A 0.0000
52 I A 0.1956
53 T A -0.4278
54 S A -1.0425
55 N A -1.8205
56 L A 0.0000
57 G A -1.4106
58 G A -1.1507
59 A A -0.7252
60 S A -0.7176
61 R A -1.5204
62 G A 0.0000
63 L A 0.0000
64 E A 0.0000
65 L A 0.0000
66 I A 0.0000
67 A A 0.0000
68 T A -0.9076
69 G A -1.0839
70 P A -0.6031
71 A A -0.8759
72 G A 0.0000
73 A A -1.5498
74 V A 0.0000
75 D A 0.0000
76 I A 0.0000
77 S A -0.9820
78 A A 0.0000
79 P A 0.0000
80 I A 0.0000
81 L A 0.0000
82 F A 0.0000
83 R A -1.0726
84 N A -1.5106
85 G A 0.0000
86 S A 0.0000
87 L A 0.0000
88 A A 0.0000
89 I A 0.0000
90 R A 0.0000
91 A A 0.0000
92 G A -0.8678
93 G A 0.0000
94 N A -1.2691
95 I A 0.0000
96 N A -0.8312
97 F A 0.0000
98 L A -0.5284
99 S A -0.8565
100 G A -1.0402
101 G A -0.9491
102 T A -0.8678
103 P A -0.8513
104 Q A -1.2819
105 T A -1.2193
106 S A 0.0000
107 G A 0.0000
108 I A 0.0000
109 V A 0.0000
110 D A 0.0000
111 L A 0.0000
112 G A 0.0000
113 S A -0.5270
114 G A 0.0000
115 T A 0.0000
116 L A 0.0000
117 W A 0.0000
118 M A 0.0000
119 Q A 0.0000
120 T A 0.0000
121 S A -0.3220
122 T A 0.0000
123 A A -0.3321
124 G A 0.0000
125 K A -1.6045
126 I A 0.0000
127 S A -1.1087
128 Q A -0.9585
129 Q A -1.1866
130 A A -0.6730
131 G A -0.7982
132 T A 0.0000
133 A A 0.0000
134 L A 0.0000
135 I A 0.0000
136 A A 0.0000
137 A A -0.3324
138 N A -0.2593
139 L A 0.0000
140 A A 0.0000
141 G A 0.0000
142 R A -0.4113
143 A A 0.0000
144 G A 0.0000
145 S A -0.7714
146 I A 0.0000
147 D A -1.4592
148 L A 0.0000
149 A A -0.4419
150 S A -0.4031
151 W A 0.0196
152 D A -0.2524
153 N A 0.0000
154 Y A 0.0000
155 A A 0.0000
156 G A -0.4024
157 N A -0.8644
158 L A 0.0000
159 A A 0.0000
160 L A 0.0000
161 Q A -0.6136
162 T A 0.0000
163 F A -0.0673
164 N A 0.0000
165 G A -0.6281
166 T A -0.8581
167 L A 0.0000
168 K A -0.8036
169 Y A 0.0000
170 R A -0.1282
171 Q A 0.0000
172 S A 0.0000
173 N A 0.0000
174 A A -0.9281
175 T A -0.4521
176 G A -0.3835
177 V A 1.3475
178 T A 0.6970
179 T A -0.0186
180 S A -0.4301
181 G A -0.5435
182 T A -0.0204
183 V A 0.0000
184 F A 1.3516
185 D A 0.0000
186 P A 0.0000
187 F A 0.3513
188 I A 0.4194
189 N A -0.6766
190 Q A -0.2212
191 S A 0.2117
192 M A 0.0000
193 T A -0.1292
194 G A -0.5337
195 T A -0.5807
196 A A -0.8494
197 Q A -1.4353
198 N A -1.5973
199 I A -0.7391
200 V A 0.0000
201 S A -0.4179
202 S A -0.3988
203 V A -1.0348
204 G A -1.2119
205 T A -0.2949
206 R A -0.1973
207 I A 0.7739
208 L A 0.0000
209 E A -1.1656
210 A A 0.0000
211 N A -1.4990
212 S A -0.4261
213 V A 1.0734
214 G A 0.2792
215 T A 0.3629
216 T A -0.3089
217 G A -1.2099
218 N A -1.7895
219 Y A -0.9795
220 T A -1.1988
221 L A 0.0000
222 T A -1.8712
223 A A 0.0000
224 D A -2.6991
225 G A -2.1576
226 N A -2.8034
227 S A -2.5286
228 E A -3.1524
229 F A 0.0000
230 D A 0.0000
231 R A -0.9474
232 L A 0.0000
233 V A 0.0000
234 F A 0.0000
235 T A 0.0000
236 A A 0.0000
237 L A 0.0000
238 P A -0.4398
239 Y A 0.0000
240 R A -1.8387
241 R A -1.3786
242 V A -0.5959
243 S A -0.3493
244 G A -0.4641
245 S A -0.4160
246 A A -0.0193
247 S A 0.0485
248 F A 0.2909
249 P A -0.0809
250 T A -0.3913
251 N A -0.6657
252 D A -0.3081
253 S A 0.0000
254 S A 0.0000
255 D A 0.0000
256 Y A 0.0000
257 L A 0.0000
258 V A 0.0000
259 T A 0.0000
260 N A -1.3400
261 L A 0.0000
262 R A -2.9889
263 Y A 0.0000
264 Q A -3.1760
265 V A 0.0000
266 N A -2.3074
267 G A -1.8028
268 S A -1.8345
269 N A -2.5435
270 V A 0.0000
271 T A -1.5625
272 A A 0.0000
273 T A -1.0356
274 P A -0.8394
275 N A -1.5954
276 G A -1.1789
277 G A -1.2294
278 A A -0.8036
279 P A -0.6918
280 S A -0.4842
281 G A -0.5427
282 F A -0.1514
283 T A 0.1035
284 V A 0.6309
285 A A 0.4485
286 A A -0.0588
287 G A 0.0000
288 N A -0.6242
289 G A -1.0510
290 S A -0.7676
291 V A 0.0857
292 T A -0.2828
293 T A -0.2598
294 W A 0.1096
295 T A -0.2597
296 G A -0.5689
297 N A -1.1329
298 W A -0.1956
299 G A -0.5457
300 T A -0.5034
301 S A 0.0000
302 W A 0.0000
303 G A 0.0000
304 V A 0.0000
305 K A -1.9893
306 G A -1.4775
307 F A -0.8258
308 G A -0.6589
309 G A -0.3463
310 V A 0.5051
311 I A 1.5384
312 G A 0.6879
313 V A 0.5670
314 T A -0.2480
315 D A -0.7743
316 E A 0.0000
317 L A 0.0000
318 Q A 0.0000
319 Y A 0.0000
320 D A -0.4211
321 V A 0.0409
322 G A -0.4556
323 T A -0.1369
324 G A -0.1501
325 L A 0.0000
326 T A -0.1200
327 E A 0.0000
328 E A 0.0000
329 L A 0.0000
330 I A 0.4633
331 F A 0.0000
332 G A 0.0000
333 L A 0.0000
334 G A -0.8553
335 G A -1.6434
336 K A -2.7180
337 T A 0.0000
338 S A -2.7316
339 R A -2.9729
340 V A 0.0000
341 D A -2.1891
342 T A 0.0000
343 R A -1.6214
344 L A 0.0000
345 D A 0.0000
346 L A 0.3867
347 F A 0.0000
348 M A -0.2634
349 R A -0.7863
350 E A -0.6128
351 G A -0.3262
352 A A 0.2613
353 F A 1.4917
354 N A -0.1070
355 S A 0.0000
356 F A 0.0000
357 A A 0.0000
358 E A 0.0000
359 R A -0.8265
360 A A 0.0000
361 Q A 0.0000
362 V A 0.0000
363 E A 0.0000
364 M A 0.0000
365 F A 0.0000
366 K A -1.2250
367 T A -0.7844
368 T A -0.4396
369 T A -0.4774
370 T A -0.5899
371 A A -0.7146
372 G A -0.8910
373 D A -0.6755
374 I A 0.4176
375 L A 0.8978
376 S A 0.2419
377 R A -1.1105
378 Q A -1.7915
379 Q A -1.3978
380 T A -0.5300
381 A A 0.0000
382 T A -0.4577
383 L A 0.0000
384 T A -1.7144
385 A A 0.0000
386 N A -2.1437
387 D A -2.7761
388 A A -1.4793
389 T A -0.7286
390 R A 0.0000
391 V A -0.1629
392 Y A 0.0000
393 G A -1.1220
394 D A -0.9480
395 V A 0.6521
396 N A -0.0270
397 P A 0.0202
398 T A 0.0982
399 L A -0.3824
400 T A -0.5677
401 A A -1.0396
402 T A -0.4801
403 M A -0.3135
404 S A -0.2238
405 G A -0.3510
406 I A -0.1201
407 N A -0.3127
408 A A -0.1423
409 I A 0.0000
410 D A 0.0000
411 A A -0.2942
412 Y A 0.0000
413 V A 0.0000
414 N A 0.0000
415 S A -0.9618
416 Q A -1.0156
417 F A -1.0157
418 N A -1.9796
419 D A -2.1160
420 L A 0.0000
421 Y A -1.5718
422 Q A -2.0140
423 A A -1.0762
424 T A -0.8502
425 A A -0.6960
426 S A -0.5922
427 T A -0.4412
428 T A -0.0746
429 A A 0.0000
430 T A -0.5940
431 Q A -1.1516
432 A A -1.0078
433 S A -1.1715
434 N A -1.3980
435 V A -0.4307
436 G A -0.9279
437 Q A -1.5126
438 Y A -1.1414
439 A A -1.2661
440 I A 0.0000
441 T A -1.6511
442 G A 0.0000
443 N A -2.0492
444 A A -1.6506
445 N A -2.3203
446 G A -1.8663
447 S A -1.6896
448 E A -2.2208
449 Y A -1.0386
450 F A 0.0000
451 S A -1.3560
452 Q A -1.5101
453 R A 0.0000
454 Y A 0.0000
455 Q A -1.0155
456 L A -0.1535
457 V A -0.0959
458 R A -2.3688
459 Q A -2.5275
460 D A -3.4554
461 G A 0.0000
462 R A -2.6905
463 L A 0.0000
464 T A -0.9548
465 V A 0.0000
466 T A -0.2753
467 P A -0.3512
468 A A 0.0000
469 Q A -1.0711
470 L A 0.0000
471 I A 0.5046
472 V A 0.0000
473 S A 0.1216
474 A A 0.0000
475 D A -0.7077
476 A A -1.0352
477 K A -1.3523
478 T A -1.1842
479 K A 0.0000
480 V A -0.8514
481 Y A 0.0000
482 G A -2.1985
483 D A -2.4868
484 A A -1.4034
485 D A -1.5606
486 P A -0.8281
487 T A -0.4384
488 L A -0.2620
489 T A -0.3367
490 Y A -0.3425
491 Q A -0.7601
492 V A -0.0176
493 S A -0.3140
494 G A -0.3237
495 L A -0.3203
496 K A -1.4048
497 N A -1.4575
498 S A -0.8389
499 D A -0.9608
500 T A -0.5084
501 A A -0.2279
502 A A -0.3939
503 G A -0.8012
504 V A 0.0000
505 L A 0.0000
506 S A -0.9981
507 G A -1.5579
508 N A -1.7437
509 L A 0.0000
510 G A -0.4317
511 R A -0.0305
512 V A 0.6417
513 A A 0.1320
514 G A -0.4763
515 E A -1.6802
516 N A -0.9088
517 V A -0.6258
518 G A -1.1497
519 N A -1.7386
520 Y A 0.0000
521 G A -0.6948
522 I A 0.0000
523 L A 0.3828
524 Q A -0.5502
525 G A -1.0204
526 G A -1.3480
527 L A 0.0000
528 G A -0.7439
529 L A -0.3294
530 N A -1.2572
531 T A -0.7162
532 A A -0.3506
533 N A -0.6174
534 Y A 0.0000
535 T A -0.2800
536 L A 0.1976
537 S A 0.4221
538 Y A 1.1739
539 V A 1.2917
540 G A 0.0325
541 N A -1.1539
542 D A -1.7478
543 L A 0.0000
544 R A -2.4304
545 I A 0.0000
546 T A -0.7440
547 P A -0.2587
548 A A 0.0000
549 Q A -1.2704
550 L A 0.0000
551 N A -0.7634
552 V A 0.0000
553 I A -0.2298
554 A A 0.0000
555 D A -0.6571
556 A A -0.5400
557 K A -0.5153
558 T A -0.1285
559 K A 0.0000
560 V A -0.5122
561 Y A 0.0000
562 G A -2.0283
563 D A -1.6376
564 L A 0.0758
565 D A -0.5578
566 P A -0.2861
567 A A 0.0918
568 L A -0.2286
569 T A -0.0053
570 Y A -0.1715
571 Q A -0.8443
572 V A -0.1342
573 S A -0.5375
574 G A -0.5978
575 L A -0.7414
576 K A -2.1289
577 R A -2.8923
578 G A -1.6938
579 D A -1.3671
580 T A -0.6841
581 A A -0.4675
582 G A -0.6138
583 A A -0.4094
584 V A 0.0000
585 L A 0.0000
586 N A -0.8765
587 G A -1.0049
588 G A -1.0552
589 S A -0.9310
590 L A 0.0000
591 S A -0.7550
592 R A -0.2539
593 V A 1.4433
594 A A 0.4905
595 G A -0.1302
596 E A -1.2840
597 N A -1.5683
598 V A -0.3759
599 G A 0.2946
600 V A 1.5886
601 Y A 0.7948
602 G A -0.0263
603 I A 0.0000
604 N A -1.8869
605 Q A -1.5932
606 G A -1.4618
607 G A -1.3205
608 L A 0.0000
609 G A -0.1906
610 L A 0.7287
611 V A 1.0973
612 S A 0.4608
613 S A 0.1937
614 N A 0.0000
615 Y A 0.0000
616 T A -0.4589
617 L A -0.2981
618 N A -0.7068
619 Y A -0.5583
620 Q A -1.2980
621 G A -1.5377
622 N A -1.3909
623 N A -0.6244
624 L A 0.0000
625 T A 0.3492
626 I A 0.0000
627 T A -0.4683
628 K A -1.5425
629 A A 0.0000
630 L A 0.4825
631 L A 0.0000
632 N A -0.2577
633 V A 0.0000
634 I A -0.4601
635 A A 0.0000
636 D A -0.7573
637 A A -0.6137
638 K A -0.5624
639 T A -0.2020
640 K A 0.0000
641 V A 0.0712
642 Y A 0.3357
643 G A -0.7220
644 D A -0.9907
645 A A -0.9458
646 D A -1.5011
647 P A -0.6458
648 A A -0.1055
649 L A -0.2346
650 T A 0.0029
651 Y A -0.3153
652 Q A -0.9448
653 V A -0.1073
654 S A -0.0137
655 G A 0.1050
656 L A -0.1622
657 K A -1.4826
658 N A -2.3174
659 G A -1.4208
660 D A -1.2640
661 T A -0.6446
662 A A -0.3882
663 G A -0.6360
664 A A -0.1836
665 V A 0.0000
666 L A 0.0000
667 N A -0.9555
668 G A -1.0302
669 G A -1.0616
670 S A -0.9395
671 L A 0.0000
672 S A -0.7211
673 R A -0.2361
674 V A 1.4747
675 A A 0.3802
676 G A -0.4954
677 E A -2.0327
678 N A -1.0779
679 V A 0.8445
680 G A 0.9099
681 V A 1.6001
682 Y A 0.9199
683 G A -0.2371
684 I A 0.0000
685 N A -2.0721
686 Q A -1.6588
687 G A -1.4479
688 G A -1.3139
689 L A 0.0000
690 G A -0.1173
691 L A 0.5692
692 L A 1.3642
693 S A 0.4388
694 A A -0.1895
695 N A 0.0000
696 Y A 0.0000
697 D A -1.4216
698 L A -0.0986
699 S A -0.1833
700 Y A -0.4629
701 Q A -1.6190
702 G A -1.7725
703 N A -1.6215
704 N A -0.8404
705 L A 0.0000
706 T A 0.4811
707 I A 0.0000
708 T A -0.2571
709 K A -0.9604
710 A A -0.4711
711 L A 0.0693
712 L A 0.0000
713 N A -0.1350
714 V A 0.0000
715 I A -0.2996
716 A A 0.0000
717 D A -0.6927
718 A A -0.5520
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1509 N A -2.1605
1510 D A -1.9564
1511 L A 0.0000
1512 T A 0.3459
1513 I A 0.0000
1514 T A -0.2367
1515 K A -1.1045
1516 A A 0.0000
1517 L A 0.6186
1518 L A 0.0000
1519 N A -0.4493
1520 V A 0.0000
1521 F A 0.2307
1522 A A 0.0000
1523 D A -0.2994
1524 A A -0.3202
1525 K A -0.7478
1526 S A -0.5420
1527 K A 0.0000
1528 Q A 0.2560
1529 V A 0.6790
1530 G A -0.4209
1531 T A -0.6336
1532 A A -0.8005
1533 D A -1.5377
1534 P A -0.7001
1535 A A -0.2327
1536 L A 0.0322
1537 T A 0.0635
1538 Y A 0.0182
1539 Q A -0.5998
1540 V A -0.0254
1541 S A -0.2055
1542 G A -0.0898
1543 L A -0.3309
1544 K A -1.6437
1545 N A -2.4765
1546 G A -1.4959
1547 D A -1.5977
1548 S A -1.1008
1549 A A -0.7214
1550 G A -1.1436
1551 Q A -1.5198
1552 V A 0.0000
1553 L A 0.0000
1554 A A -0.5550
1555 G A -0.9093
1556 G A -0.6965
1557 L A -0.3398
1558 G A -0.5134
1559 R A -0.4662
1560 V A -0.1481
1561 G A -0.7422
1562 G A -0.9618
1563 E A -1.6606
1564 A A -0.2120
1565 V A 1.1431
1566 G A -0.0405
1567 Q A -1.2959
1568 Y A -1.1391
1569 D A -1.6642
1570 I A 0.0000
1571 L A -0.0902
1572 Q A -0.6949
1573 G A -0.6899
1574 G A -0.9322
1575 L A 0.0000
1576 A A -0.0695
1577 L A -0.0461
1578 T A -0.3303
1579 S A -0.7487
1580 G A -0.9856
1581 N A -1.1292
1582 Y A 0.0000
1583 Q A -0.9799
1584 L A -0.1908
1585 N A -0.5344
1586 Y A -0.3714
1587 Q A -0.8265
1588 G A -0.8252
1589 N A -0.8250
1590 L A -0.7815
1591 L A 0.0000
1592 S A -0.3564
1593 I A 0.0000
1594 L A 1.3840
1595 P A 1.5937
1596 L A 2.1223
1597 P A 1.3821
1598 V A 1.8587
1599 T A 0.4855
1600 P A -0.4899
1601 G A -1.1875
1602 D A -1.3888
1603 L A 0.0899
1604 G A -0.3376
1605 Q A -0.3486
1606 L A 0.9111
1607 A A 0.9451
1608 A A 1.1091
1609 L A 1.0952
1610 S A 0.1045
1611 D A -1.0918
1612 L A -0.7132
1613 R A -2.1665
1614 E A -2.0413
1615 L A -0.6976
1616 Q A -1.6407
1617 K A -2.6114
1618 G A -2.9164
1619 R A -3.3737
1620 D A -3.3151
1621 P A -2.5377
1622 D A -2.3732
1623 T A -1.2253
1624 P A -1.2515
1625 G A -1.4640
1626 D A -1.6602
1627 A A 0.3304
1628 V A 1.6504
1629 Y A 1.1556
1630 R A -0.7970
1631 T A -0.7462
1632 T A -0.2275
1633 T A 0.0905
1634 L A 0.1247
1635 E A -1.6144
1636 N A -1.2974
1637 P A 0.1004
1638 F A 1.9933
1639 L A 1.2635
1640 E A -0.9451
1641 N A -1.3663
1642 P A -0.3746
1643 F A 1.5137
1644 L A 1.3593
1645 R A -0.3774
1646 A A 0.7209
1647 Y A 1.4251
1648 A A 1.2946
1649 L A 1.6512
1650 G A 0.7346
1651 M A 0.6115
1652 D A -0.3314
1653 V A 0.6012
1654 S A -0.4265
1655 D A -1.8996
1656 P A -1.4525
1657 N A -0.7054
1658 L A 1.5865
1659 L A 1.9425
1660 P A 0.9277
1661 A A 0.2229
1662 T A -0.0490
1663 A A -0.0296
1664 A A -0.2079
1665 G A -0.5598
1666 P A -0.8279
1667 A A -1.4326
1668 E A -2.7940
1669 D A -2.7760
1670 A A -1.3005
1671 S A -0.8747
1672 A A -1.2850
1673 K A -2.3034
1674 R A -1.8974
1675 V A 0.0477
1676 G A -0.2337
1677 Q A -0.1275
1678 F A 0.9071
1679 T A -0.8546
1680 D A -2.4694
1681 R A -2.7020
1682 P A -1.3388
1683 L A 0.0358
1684 R A -1.6461
1685 A A -1.5090
1686 E A -2.5634
1687 A A -1.8781
1688 E A -2.3823
1689 S A -1.3349
1690 G A -1.0034
1691 A A -0.2884
1692 G A -0.2354
1693 C A 0.1344
1694 S A -0.8159
1695 N A -1.8775
1696 Q A -1.7223
1697 S A -0.2306
1698 Y A 1.7449
1699 L A 1.8183
1700 A A 0.4835
1701 D A -0.5118
1702 Y A 0.9341
1703 W A 1.7177
1704 S A 1.5539
1705 C A 1.4815
1706 F A 1.4351
1707 N A -0.9483
1708 K A -1.7990
1709 P A -1.0827
1710 L A 0.7163
1711 N A 0.2366
1712 F A 1.6420
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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 -0.0622 5.7236 View CSV PDB
4.5 -0.1085 5.6826 View CSV PDB
5.0 -0.1626 5.6133 View CSV PDB
5.5 -0.2184 5.525 View CSV PDB
6.0 -0.2703 5.4324 View CSV PDB
6.5 -0.3139 5.3496 View CSV PDB
7.0 -0.3486 5.2907 View CSV PDB
7.5 -0.3765 5.2597 View CSV PDB
8.0 -0.3994 5.2472 View CSV PDB
8.5 -0.4154 5.2429 View CSV PDB
9.0 -0.4215 5.2415 View CSV PDB