Project name: 60ab4c248f0d9be

Status: done

Started: 2026-02-13 18:34:29
Chain sequence(s) A: MLRGPGPGLLLLAVQCLGTAVPSTGASKSKRQAQQMVQPQSPVAVSQSKPGCYDNGKHYQINQQWERTYLGNALVCTCYGGSRGFNCESKPEAEETCFDKYTGNTYRVGDTYERPKDSMIWDCTCIGAGRGRISCTIANRCHEGGQSYKIGDTWRRPHETGGYMLECVCLGNGKGEWTCKPIAEKCFDHAAGTSYVVGETWEKPYQGWMMVDCTCLGEGSGRITCTSRNRCNDQDTRTSYRIGDTWSKKDNRGNLLQCICTGNGRGEWKCERHTSVQTTSSGSGPFTDVRAAVYQPQPHPQPPPYGHCVTDSGVVYSVGMQWLKTQGNKQMLCTCLGNGVSCQETAVTQTYGGNSNGEPCVLPFTYNGRTFYSCTTEGRQDGHLWCSTTSNYEQDQKYSFCTDHTVLVQTRGGNSNGALCHFPFLYNNHNYTDCTSEGRRDNMKWCGTTQNYDADQKFGFCPMAAHEEICTTNEGVMYRIGDQWDKQHDMGHMMRCTCVGNGRGEWTCIAYSQLRDQCIVDDITYNVNDTFHKRHEEGHMLNCTCFGQGRGRWKCDPVDQCQDSETGTFYQIGDSWEKYVHGVRYQCYCYGRGIGEWHCQPLQTYPSSSGPVEVFITETPSQPNSHPIQWNAPQPSHISKYILRWRPKNSVGRWKEATIPGHLNSYTIKGLKPGVVYEGQLISIQQYGHQEVTRFDFTTTSTSTPVTSNTVTGETTPFSPLVATSESVTEITASSFVVSWVSASDTVSGFRVEYELSEEGDEPQYLDLPSTATSVNIPDLLPGRKYIVNVYQISEDGEQSLILSTSQTTAPDAPPDTTVDQVDDTSIVVRWSRPQAPITGYRIVYSPSVEGSSTELNLPETANSVTLSDLQPGVQYNITIYAVEENQESTPVVIQQETTGTPRSDTVPSPRDLQFVEVTDVKVTIMWTPPESAVTGYRVDVIPVNLPGEHGQRLPISRNTFAEVTGLSPGVTYYFKVFAVSHGRESKPLTAQQTTKLDAPTNLQFVNETDSTVLVRWTPPRAQITGYRLTVGLTRRGQPRQYNVGPSVSKYPLRNLQPASEYTVSLVAIKGNQESPKATGVFTTLQPGSSIPPYNTEVTETTIVITWTPAPRIGFKLGVRPSQGGEAPREVTSDSGSIVVSGLTPGVEYVYTIQVLRDGQERDAPIVNKVVTPLSPPTNLHLEANPDTGVLTVSWERSTTPDITGYRITTTPTNGQQGNSLEEVVHADQSSCTFDNLSPGLEYNVSVYTVKDDKESVPISDTIIPEVPQLTDLSFVDITDSSIGLRWTPLNSSTIIGYRITVVAAGEGIPIFEDFVDSSVGYYTVTGLEPGIDYDISVITLINGGESAPTTLTQQTAVPPPTDLRFTNIGPDTMRVTWAPPPSIDLTNFLVRYSPVKNEEDVAELSISPSDNAVVLTNLLPGTEYVVSVSSVYEQHESTPLRGRQKTGLDSPTGIDFSDITANSFTVHWIAPRATITGYRIRHHPEHFSGRPREDRVPHSRNSITLTNLTPGTEYVVSIVALNGREESPLLIGQQSTVSDVPRDLEVVAATPTSLLISWDAPAVTVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTGRGDSPASSKPISINYRTEIDKPSQMQVTDVQDNSISVKWLPSSSPVTGYRVTTTPKNGPGPTKTKTAGPDQTEMTIEGLQPTVEYVVSVYAQNPSGESQPLVQTAVTNIDRPKGLAFTDVDVDSIKIAWESPQGQVSRYRVTYSSPEDGIHELFPAPDGEEDTAELQGLRPGSEYTVSVVALHDDMESQPLIGTQSTAIPAPTDLKFTQVTPTSLSAQWTPPNVQLTGYRVRVTPKEKTGPMKEINLAPDSSSVVVSGLMVATKYEVSVYALKDTLTSRPAQGVVTTLENVSPPRRARVTDATETTITISWRTKTETITGFQVDAVPANGQTPIQRTIKPDVRSYTITGLQPGTDYKIYLYTLNDNARSSPVVIDASTAIDAPSNLRFLATTPNSLLVSWQPPRARITGYIIKYEKPGSPPREVVPRPRPGVTEATITGLEPGTEYTIYVIALKNNQKSEPLIGRKKTDELPQLVTLPHPNLHGPEILDVPSTVQKTPFVTHPGYDTGNGIQLPGTSGQQPSVGQQMIFEEHGFRRTTPPTTATPIRHRPRPYPPNVGEEIQIGHIPREDVDYHLYPHGPGLNPNASTGQEALSQTTISWAPFQDTSEYIISCHPVGTDEEPLQFRVPGTSTSATLTGLTRGATYNVIVEALKDQQRHKVREEVVTVGNSVNEGLNQPTDDSCFDPYTVSHYAVGDEWERMSESGFKLLCQCLGFGSGHFRCDSSRWCHDNGVNYKIGEKWDRQGENGQMMSCTCLGNGKGEFKCDPHEATCYDDGKTYHVGEQWQKEYLGAICSCTCFGGQRGWRCDNCRRPGGEPSPEGTTGQSYNQYSQRYHQRTNTNVNCPIECFMPLDVQADREDSRE
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.  (00:00:45)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:45)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:42:58)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/60ab4c248f0d9be/tmp/folded.pdb                (00:42:58)
[INFO]       Main:     Simulation completed successfully.                                          (01:20:22)
Show buried residues

Minimal score value
-4.4688
Maximal score value
2.5327
Average score
-0.8371
Total score value
-2073.5798

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 1.6447
2 L A 1.7467
3 R A 0.2705
4 G A 0.2282
5 P A -0.3027
6 G A -0.3176
7 P A 0.2381
8 G A 0.1338
9 L A 1.6615
10 L A 2.3268
11 L A 2.2334
12 L A 2.2923
13 A A 1.9013
14 V A 2.0189
15 Q A 0.4376
16 C A 1.3150
17 L A 1.5969
18 G A 0.5063
19 T A 0.4408
20 A A 0.9063
21 V A 1.5967
22 P A 0.6394
23 S A -0.0819
24 T A -0.4386
25 G A -0.5611
26 A A -0.6355
27 S A -1.1921
28 K A -2.2572
29 S A -2.3474
30 K A -3.3254
31 R A -3.3154
32 Q A -2.7563
33 A A -1.7578
34 Q A -1.8520
35 Q A -1.1427
36 M A 0.8373
37 V A 1.2752
38 Q A -0.5124
39 P A -1.1118
40 Q A -1.5690
41 S A -0.6118
42 P A 0.2074
43 V A 1.9743
44 A A 1.7274
45 V A 1.7922
46 S A -0.2063
47 Q A -1.4749
48 S A -1.8093
49 K A -2.3382
50 P A -1.3953
51 G A -1.2695
52 C A 0.0000
53 Y A -0.1107
54 D A 0.0000
55 N A -1.9480
56 G A -1.7987
57 K A -2.3975
58 H A -1.9414
59 Y A 0.0000
60 Q A -1.6831
61 I A -0.7627
62 N A -1.5770
63 Q A -1.9206
64 Q A -2.2503
65 W A 0.0000
66 E A -2.5239
67 R A -1.6904
68 T A -0.2558
69 Y A 1.1424
70 L A 1.4218
71 G A 0.0237
72 N A -1.0208
73 A A -1.3899
74 L A -1.4546
75 V A -1.9650
76 C A 0.0000
77 T A 0.0000
78 C A 0.0000
79 Y A -0.9440
80 G A 0.0000
81 G A -1.2752
82 S A -1.3315
83 R A -2.2263
84 G A -1.0443
85 F A -0.8064
86 N A -1.5418
87 C A -1.2946
88 E A -1.7821
89 S A -1.8517
90 K A -2.4019
91 P A -2.0611
92 E A -2.9170
93 A A -2.1322
94 E A -2.6256
95 E A -2.0710
96 T A -0.9037
97 C A 0.0000
98 F A 0.8268
99 D A 0.0000
100 K A -1.2263
101 Y A -0.3986
102 T A -0.7529
103 G A -0.9102
104 N A -0.8377
105 T A -0.1879
106 Y A -0.2173
107 R A -1.1554
108 V A -0.5774
109 G A -1.0772
110 D A -1.0468
111 T A -0.8636
112 Y A 0.0000
113 E A -1.9591
114 R A 0.0000
115 P A -1.1685
116 K A -1.2315
117 D A -1.9682
118 S A -2.0273
119 M A -1.2698
120 I A -1.1730
121 W A -0.5368
122 D A -0.9227
123 C A 0.0000
124 T A -0.6885
125 C A 0.0000
126 I A -0.2256
127 G A -1.3104
128 A A -1.2013
129 G A -1.9565
130 R A -2.6268
131 G A -1.6604
132 R A -1.7433
133 I A -0.3221
134 S A -0.1464
135 C A -0.1770
136 T A -0.0456
137 I A 0.0000
138 A A -0.9692
139 N A -0.8343
140 R A 0.0000
141 C A 0.0000
142 H A -0.7612
143 E A -1.1884
144 G A -1.1788
145 G A -1.8951
146 Q A -1.9871
147 S A -1.1440
148 Y A -0.6798
149 K A -0.8743
150 I A 0.2244
151 G A -0.3641
152 D A -1.0549
153 T A -0.9500
154 W A 0.0000
155 R A -2.4407
156 R A -1.8261
157 P A -1.4220
158 H A -1.6045
159 E A -2.1728
160 T A -1.4498
161 G A -1.3111
162 G A -0.8285
163 Y A -0.4903
164 M A -1.1211
165 L A 0.0000
166 E A -1.9493
167 C A 0.0000
168 V A -0.2741
169 C A 0.0000
170 L A 0.3178
171 G A -0.6094
172 N A -1.5166
173 G A -1.7351
174 K A -2.6428
175 G A 0.0000
176 E A -0.8799
177 W A -0.0927
178 T A -0.1384
179 C A -1.1307
180 K A -2.1446
181 P A 0.0000
182 I A -0.9646
183 A A -1.1884
184 E A -1.3733
185 K A -0.7123
186 C A 0.0000
187 F A -0.0560
188 D A 0.0000
189 H A -1.1848
190 A A -0.6720
191 A A -0.4142
192 G A -0.7387
193 T A -0.3352
194 S A -0.3338
195 Y A 0.1612
196 V A 0.4360
197 V A -0.0797
198 G A 0.0000
199 E A -0.2610
200 T A 0.0000
201 W A 0.0000
202 E A -1.4270
203 K A 0.0000
204 P A -0.3853
205 Y A 0.0170
206 Q A 0.0000
207 G A 0.0000
208 W A 0.0000
209 M A 0.0000
210 M A 0.0000
211 V A 0.0000
212 D A 0.0000
213 C A 0.0000
214 T A 0.0000
215 C A 0.0000
216 L A -0.3568
217 G A 0.0000
218 E A -2.0562
219 G A -1.6778
220 S A -1.1932
221 G A -0.9154
222 R A -0.5970
223 I A 0.2828
224 T A 0.0000
225 C A -0.1216
226 T A 0.0000
227 S A -0.5776
228 R A -0.6205
229 N A -0.8868
230 R A 0.0000
231 C A 0.0000
232 N A 0.0000
233 D A 0.0000
234 Q A 0.0000
235 D A -1.2137
236 T A -0.6656
237 R A -0.9112
238 T A -0.5650
239 S A -0.2917
240 Y A -0.2909
241 R A -0.5020
242 I A 0.4438
243 G A -0.2191
244 D A -0.7708
245 T A -0.6129
246 W A 0.0000
247 S A -1.1963
248 K A -1.6208
249 K A -2.4148
250 D A 0.0000
251 N A -2.5927
252 R A -3.0587
253 G A -2.3363
254 N A -2.5705
255 L A -2.1562
256 L A 0.0000
257 Q A -2.1273
258 C A 0.0000
259 I A -0.7991
260 C A 0.0000
261 T A -1.0179
262 G A -1.2422
263 N A -1.7175
264 G A -1.7250
265 R A -2.7834
266 G A 0.0000
267 E A -2.3933
268 W A 0.0000
269 K A -1.9940
270 C A -1.9989
271 E A -2.9486
272 R A -3.3150
273 H A -2.2972
274 T A -0.9705
275 S A -0.1963
276 V A 0.8475
277 Q A -0.5615
278 T A -0.4672
279 T A -0.4820
280 S A -0.4514
281 S A -0.6261
282 G A -0.8413
283 S A -0.7524
284 G A -0.4295
285 P A 0.3857
286 F A 1.4747
287 T A 0.3758
288 D A -0.8768
289 V A 0.2423
290 R A -1.0550
291 A A 0.1596
292 A A 0.8129
293 V A 1.9014
294 Y A 1.3704
295 Q A -0.5552
296 P A -1.1142
297 Q A -1.8491
298 P A -1.6515
299 H A -1.7476
300 P A -1.4683
301 Q A -1.7024
302 P A -1.1157
303 P A -0.4427
304 P A 0.1345
305 Y A 0.6234
306 G A -0.1331
307 H A -0.0239
308 C A 0.0000
309 V A 1.5742
310 T A 0.1176
311 D A -1.5873
312 S A -0.8259
313 G A -0.1684
314 V A 0.6503
315 V A 1.6082
316 Y A 0.0000
317 S A 0.3849
318 V A 0.5440
319 G A -0.1836
320 M A 0.0000
321 Q A -0.0836
322 W A 0.0000
323 L A -0.6858
324 K A -1.8207
325 T A -2.1119
326 Q A -2.7103
327 G A -2.5079
328 N A -2.8043
329 K A -3.2845
330 Q A -2.6109
331 M A -2.0806
332 L A -0.9423
333 C A 0.0000
334 T A 0.2883
335 C A 0.0000
336 L A 0.1352
337 G A -0.4532
338 N A -1.1028
339 G A -0.1799
340 V A 0.9350
341 S A 0.1383
342 C A -0.5200
343 Q A -1.9654
344 E A -2.6033
345 T A -1.0092
346 A A -0.0700
347 V A 1.4008
348 T A 0.2486
349 Q A -0.8437
350 T A -0.3490
351 Y A 0.1441
352 G A -0.2345
353 G A -0.3523
354 N A -0.6314
355 S A 0.0000
356 N A -1.0296
357 G A -0.7835
358 E A -1.0848
359 P A -0.0460
360 C A 0.6929
361 V A 1.3645
362 L A 1.6468
363 P A 1.0723
364 F A 0.0000
365 T A -0.7929
366 Y A 0.0000
367 N A -1.6145
368 G A -1.6039
369 R A -2.0428
370 T A -0.6042
371 F A 0.3709
372 Y A 1.4796
373 S A 0.6271
374 C A 0.1558
375 T A 0.0000
376 T A -1.2801
377 E A -1.7752
378 G A -1.4546
379 R A -2.1229
380 Q A -2.9603
381 D A -2.1916
382 G A -1.8056
383 H A -1.2301
384 L A -0.5711
385 W A 0.0000
386 C A 0.0000
387 S A 0.0000
388 T A -0.0507
389 T A -0.2614
390 S A -0.2363
391 N A -1.2009
392 Y A -1.1462
393 E A -1.8514
394 Q A -2.1262
395 D A 0.0000
396 Q A -1.2562
397 K A 0.0000
398 Y A -0.0889
399 S A 0.0000
400 F A -0.0036
401 C A 0.0000
402 T A -0.4840
403 D A 0.0000
404 H A -0.7823
405 T A 0.1128
406 V A 0.6059
407 L A 0.6881
408 V A 0.0000
409 Q A -0.9397
410 T A 0.0000
411 R A -2.4754
412 G A -1.9949
413 G A -1.4988
414 N A -1.8798
415 S A 0.0000
416 N A -1.7593
417 G A -1.3720
418 A A 0.0000
419 L A 0.0000
420 C A 0.0000
421 H A -0.6757
422 F A -0.7773
423 P A -1.2153
424 F A 0.0000
425 L A -1.7629
426 Y A -1.8396
427 N A -2.3046
428 N A -2.5413
429 H A -2.1916
430 N A -2.2894
431 Y A 0.0000
432 T A -1.2590
433 D A -1.6528
434 C A -0.7759
435 T A 0.0000
436 S A -1.2979
437 E A -1.7382
438 G A -1.8657
439 R A -2.6164
440 R A -3.1897
441 D A -2.8442
442 N A -2.0039
443 M A -1.0642
444 K A -0.7964
445 W A 0.0000
446 C A 0.0000
447 G A 0.0000
448 T A 0.0000
449 T A 0.0000
450 Q A -1.9014
451 N A -2.2811
452 Y A -1.8520
453 D A -2.1735
454 A A -1.4827
455 D A -2.1497
456 Q A -2.1227
457 K A -1.8565
458 F A -1.0425
459 G A 0.0000
460 F A -0.7852
461 C A 0.0000
462 P A -0.7446
463 M A -0.1454
464 A A -0.1050
465 A A -0.2987
466 H A -0.7856
467 E A -0.5630
468 E A -1.0941
469 I A -0.4458
470 C A 0.0000
471 T A -0.6366
472 T A 0.0000
473 N A -0.9725
474 E A -1.2022
475 G A -0.2897
476 V A 0.3621
477 M A 0.0000
478 Y A 0.0178
479 R A -0.2039
480 I A 1.0445
481 G A -0.3130
482 D A -1.4941
483 Q A -0.8366
484 W A 0.0000
485 D A 0.0000
486 K A -0.4967
487 Q A -0.3063
488 H A -0.3313
489 D A 0.0000
490 M A 0.2475
491 G A 0.0000
492 H A -0.3920
493 M A -0.1612
494 M A 0.0000
495 R A -0.5055
496 C A 0.0000
497 T A -0.4896
498 C A -0.9853
499 V A -0.9160
500 G A -1.8307
501 N A -2.3005
502 G A -2.0811
503 R A -2.7997
504 G A 0.0000
505 E A -2.1801
506 W A -0.7777
507 T A -0.0596
508 C A -0.1534
509 I A 0.0000
510 A A 0.0000
511 Y A -1.1220
512 S A -1.4799
513 Q A -2.1941
514 L A 0.0000
515 R A -2.5156
516 D A -2.6621
517 Q A -2.1011
518 C A 0.0000
519 I A -0.1395
520 V A 0.0000
521 D A -1.9101
522 D A -1.6744
523 I A 0.1117
524 T A -0.4693
525 Y A -0.6098
526 N A -1.0607
527 V A 0.0000
528 N A -0.9750
529 D A -1.2077
530 T A -0.9739
531 F A -0.8302
532 H A -1.6833
533 K A -2.0239
534 R A -3.0523
535 H A -2.8858
536 E A -3.3502
537 E A -3.1772
538 G A -2.1836
539 H A -1.8217
540 M A -1.5747
541 L A 0.0000
542 N A -1.4204
543 C A 0.0000
544 T A -1.1407
545 C A 0.0000
546 F A -1.3427
547 G A 0.0000
548 Q A -1.9453
549 G A -2.3766
550 R A -1.8021
551 G A -1.7892
552 R A -2.0884
553 W A -1.3887
554 K A -1.5806
555 C A -1.2983
556 D A -1.1902
557 P A -0.7906
558 V A -0.3635
559 D A 0.0512
560 Q A 0.0000
561 C A 0.0000
562 Q A 0.0000
563 D A 0.0000
564 S A 0.0000
565 E A -2.0486
566 T A -1.0922
567 G A -1.4039
568 T A -0.5702
569 F A -0.3917
570 Y A 0.2848
571 Q A 0.6214
572 I A 1.5040
573 G A 0.1004
574 D A -0.6256
575 S A -0.5517
576 W A 0.0000
577 E A -1.8222
578 K A 0.0000
579 Y A -0.4189
580 V A 0.0000
581 H A 0.0000
582 G A -1.1125
583 V A 0.0000
584 R A -1.5735
585 Y A 0.0000
586 Q A -1.0254
587 C A 0.0000
588 Y A 0.2114
589 C A 0.0000
590 Y A 0.8223
591 G A 0.0000
592 R A -1.3308
593 G A -0.5108
594 I A 1.1250
595 G A 0.0000
596 E A 0.1040
597 W A 0.0000
598 H A -0.1813
599 C A 0.0000
600 Q A -1.0320
601 P A -0.7042
602 L A -0.1778
603 Q A -0.8187
604 T A 0.1847
605 Y A 0.7511
606 P A 0.1011
607 S A -0.2414
608 S A -0.6382
609 S A -0.7875
610 G A -0.7767
611 P A -0.4733
612 V A 0.0000
613 E A -0.9971
614 V A 0.0000
615 F A 0.0000
616 I A 0.0000
617 T A 0.0000
618 E A -2.0245
619 T A -1.4120
620 P A -0.9983
621 S A -0.9823
622 Q A -1.5686
623 P A -1.8831
624 N A -2.3533
625 S A 0.0000
626 H A 0.0000
627 P A 0.0000
628 I A 0.0000
629 Q A 0.0000
630 W A 0.0000
631 N A -0.9136
632 A A -0.9155
633 P A -1.0856
634 Q A -1.6227
635 P A -1.2426
636 S A -1.3052
637 H A -1.7121
638 I A -1.3309
639 S A -1.3220
640 K A -1.3587
641 Y A 0.0000
642 I A -0.2603
643 L A 0.0000
644 R A -1.8241
645 W A 0.0000
646 R A -1.6644
647 P A -1.2870
648 K A -1.5599
649 N A -1.3809
650 S A -0.4957
651 V A 0.7731
652 G A -0.7475
653 R A -2.0706
654 W A -1.8043
655 K A -2.3387
656 E A -2.5583
657 A A -0.9903
658 T A -0.5429
659 I A 0.0000
660 P A -0.6116
661 G A -1.1334
662 H A -1.1614
663 L A -0.0349
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1914 T A -1.1519
1915 D A -1.8886
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1918 E A -1.3395
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1920 T A -0.8125
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1928 K A -2.4585
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1930 E A -1.4718
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1932 I A 0.0000
1933 T A 0.0000
1934 G A 0.0000
1935 F A 0.0000
1936 Q A -0.6831
1937 V A 0.0000
1938 D A 0.0000
1939 A A 0.0000
1940 V A -0.7682
1941 P A 0.0000
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1943 N A -1.9681
1944 G A -1.4281
1945 Q A -1.4255
1946 T A -0.7800
1947 P A -0.4974
1948 I A -0.3969
1949 Q A -1.1440
1950 R A -0.8911
1951 T A 0.0000
1952 I A 0.0000
1953 K A -0.8281
1954 P A 0.0000
1955 D A -1.1325
1956 V A -0.7341
1957 R A -1.4874
1958 S A -0.9277
1959 Y A -0.2922
1960 T A -0.4465
1961 I A 0.0000
1962 T A -0.6589
1963 G A -0.7486
1964 L A 0.0000
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1966 P A -1.7307
1967 G A -1.7419
1968 T A -1.6787
1969 D A -2.5743
1970 Y A 0.0000
1971 K A -1.2584
1972 I A 0.0000
1973 Y A 0.4455
1974 L A 0.0000
1975 Y A 0.0000
1976 T A 0.0000
1977 L A 0.0000
1978 N A -1.4954
1979 D A -2.0574
1980 N A -2.1267
1981 A A -1.7491
1982 R A -2.0596
1983 S A 0.0000
1984 S A -0.3334
1985 P A 0.1535
1986 V A 0.5958
1987 V A 0.8893
1988 I A -0.4090
1989 D A -2.1044
1990 A A -1.8345
1991 S A -1.6516
1992 T A 0.0000
1993 A A -1.4834
1994 I A 0.0000
1995 D A 0.0000
1996 A A -1.3673
1997 P A 0.0000
1998 S A -0.8382
1999 N A -1.2385
2000 L A -1.0115
2001 R A -1.8219
2002 F A -0.0672
2003 L A 1.2225
2004 A A 0.8226
2005 T A -0.3781
2006 T A -1.5751
2007 P A -2.2137
2008 N A -2.3364
2009 S A -1.2274
2010 L A 0.0000
2011 L A 0.4546
2012 V A 0.0000
2013 S A -1.1637
2014 W A 0.0000
2015 Q A -1.9993
2016 P A -1.5164
2017 P A -1.6401
2018 R A -2.6738
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2021 I A 0.0000
2022 T A -1.5844
2023 G A 0.0000
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2110 K A -1.8440
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2260 N A 0.0415
2261 V A 0.0000
2262 I A -1.1154
2263 V A 0.0000
2264 E A -2.2112
2265 A A 0.0000
2266 L A 0.0000
2267 K A -3.5233
2268 D A -3.5953
2269 Q A -3.3151
2270 Q A -3.6995
2271 R A -3.7310
2272 H A -2.4146
2273 K A -2.6281
2274 V A -1.2466
2275 R A -1.8882
2276 E A -2.0106
2277 E A -0.6148
2278 V A 1.2294
2279 V A 0.6462
2280 T A -0.1229
2281 V A -0.9074
2282 G A -1.5085
2283 N A -1.6674
2284 S A -0.3006
2285 V A 0.4791
2286 N A -1.7194
2287 E A -2.7913
2288 G A -1.1435
2289 L A 0.0845
2290 N A -1.2922
2291 Q A -1.9857
2292 P A -1.8265
2293 T A -1.7344
2294 D A -2.0127
2295 D A -0.9226
2296 S A -0.6724
2297 C A 0.0000
2298 F A 0.4587
2299 D A 0.0000
2300 P A 1.1301
2301 Y A 1.0690
2302 T A 0.8592
2303 V A 1.6354
2304 S A 0.6109
2305 H A -0.6305
2306 Y A -0.6540
2307 A A -0.4673
2308 V A 0.6446
2309 G A -0.6225
2310 D A -1.9042
2311 E A -2.7510
2312 W A 0.0000
2313 E A -2.0572
2314 R A -1.0770
2315 M A -0.4388
2316 S A 0.0000
2317 E A -2.0243
2318 S A -1.3080
2319 G A -1.1803
2320 F A -0.6306
2321 K A -1.1330
2322 L A 0.0000
2323 L A -1.5485
2324 C A 0.0000
2325 Q A -1.7022
2326 C A 0.0000
2327 L A 0.2639
2328 G A 0.0000
2329 F A 0.4040
2330 G A -0.7672
2331 S A -0.1838
2332 G A -0.0285
2333 H A 0.0000
2334 F A 0.0000
2335 R A -1.3588
2336 C A -1.1327
2337 D A -1.4162
2338 S A -1.3163
2339 S A -1.4690
2340 R A -1.4892
2341 W A 0.0000
2342 C A 0.0000
2343 H A -0.7884
2344 D A 0.0000
2345 N A -1.5420
2346 G A -1.3247
2347 V A -0.6858
2348 N A -0.5287
2349 Y A -0.5851
2350 K A -1.0518
2351 I A -0.0543
2352 G A -0.5652
2353 E A -1.2383
2354 K A -2.0582
2355 W A 0.0000
2356 D A -2.5506
2357 R A -2.4391
2358 Q A -2.6568
2359 G A 0.0000
2360 E A -2.8794
2361 N A -2.8590
2362 G A -2.2567
2363 Q A -2.1064
2364 M A -1.6780
2365 M A -1.6429
2366 S A -1.9814
2367 C A 0.0000
2368 T A -1.1962
2369 C A 0.0000
2370 L A -0.4421
2371 G A 0.0000
2372 N A -1.8125
2373 G A -2.1296
2374 K A -2.5052
2375 G A 0.0000
2376 E A -1.4205
2377 F A -0.7829
2378 K A -1.2014
2379 C A -1.1662
2380 D A -1.3746
2381 P A -1.5167
2382 H A -1.9200
2383 E A -2.2140
2384 A A -0.7082
2385 T A 0.0000
2386 C A 0.0000
2387 Y A -1.1219
2388 D A 0.0000
2389 D A -2.5552
2390 G A -2.5855
2391 K A -2.7797
2392 T A -1.4624
2393 Y A 0.0000
2394 H A -1.2653
2395 V A -0.1354
2396 G A -0.8282
2397 E A -1.9045
2398 Q A -2.2734
2399 W A 0.0000
2400 Q A -2.0435
2401 K A -1.7599
2402 E A -1.6467
2403 Y A 0.5882
2404 L A 1.1879
2405 G A -0.5953
2406 A A -1.5434
2407 I A -1.6993
2408 C A 0.0000
2409 S A -2.2185
2410 C A 0.0000
2411 T A -1.6383
2412 C A 0.0000
2413 F A -0.4267
2414 G A 0.0000
2415 G A -1.8721
2416 Q A -2.6460
2417 R A -2.7333
2418 G A -1.6286
2419 W A -1.1593
2420 R A -2.3083
2421 C A -2.0349
2422 D A -2.9212
2423 N A -2.3037
2424 C A -1.7609
2425 R A -2.9084
2426 R A -2.7961
2427 P A -2.4070
2428 G A -2.0938
2429 G A -1.9846
2430 E A -2.3988
2431 P A -1.6321
2432 S A -1.2300
2433 P A -1.3875
2434 E A -2.2746
2435 G A -1.6706
2436 T A -0.8776
2437 T A -0.9180
2438 G A -1.1917
2439 Q A -1.3575
2440 S A -0.7021
2441 Y A 0.0010
2442 N A -1.1662
2443 Q A -1.0043
2444 Y A -0.1500
2445 S A -0.8523
2446 Q A -1.6423
2447 R A -2.1508
2448 Y A -1.1232
2449 H A -2.2700
2450 Q A -2.8727
2451 R A -3.3531
2452 T A -2.3942
2453 N A -1.9600
2454 T A -1.0381
2455 N A -0.7650
2456 V A 0.2783
2457 N A -0.3404
2458 C A -0.2578
2459 P A -0.4085
2460 I A -0.8172
2461 E A -0.5573
2462 C A 0.9296
2463 F A 2.0859
2464 M A 1.9416
2465 P A 0.8482
2466 L A 0.3669
2467 D A -1.0991
2468 V A -0.5457
2469 Q A -1.3407
2470 A A -1.6650
2471 D A -3.2440
2472 R A -4.1360
2473 E A -4.4688
2474 D A -3.9684
2475 S A -3.0466
2476 R A -3.5575
2477 E A -3.1224
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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 -0.4316 5.5898 View CSV PDB
4.5 -0.5024 5.5898 View CSV PDB
5.0 -0.5921 5.5898 View CSV PDB
5.5 -0.6861 5.5898 View CSV PDB
6.0 -0.7701 5.5898 View CSV PDB
6.5 -0.8343 5.5898 View CSV PDB
7.0 -0.8765 5.5898 View CSV PDB
7.5 -0.9032 5.6499 View CSV PDB
8.0 -0.9208 5.7121 View CSV PDB
8.5 -0.9309 5.7748 View CSV PDB
9.0 -0.9315 5.8372 View CSV PDB