Project name: C419Y

Status: done

Started: 2026-05-14 00:38:55
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQYGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:51)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/71481ad617dc920/tmp/folded.pdb                (00:30:51)
[INFO]       Main:     Simulation completed successfully.                                          (01:09:38)
Show buried residues

Minimal score value
-4.8603
Maximal score value
5.4997
Average score
-0.7412
Total score value
-1720.2131

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 0.7172
2 G A -0.1817
3 P A -0.4596
4 G A -1.0156
5 A A -1.3254
6 R A -2.7978
7 G A -2.9634
8 R A -4.0711
9 R A -4.6225
10 R A -4.8603
11 R A -4.7695
12 R A -4.1663
13 R A -3.2679
14 P A -1.3999
15 M A -0.0296
16 S A -0.1972
17 P A -0.3651
18 P A -0.5090
19 P A -0.6868
20 P A -0.6950
21 P A -0.3895
22 P A -0.3517
23 P A -0.1142
24 V A 0.8780
25 R A -0.6266
26 A A 0.5450
27 L A 1.8066
28 P A 1.7489
29 L A 3.3539
30 L A 3.9438
31 L A 4.0148
32 L A 3.7856
33 L A 2.8623
34 A A 1.2115
35 G A 0.0347
36 P A -0.4334
37 G A -0.6624
38 A A -0.2792
39 A A -0.3514
40 A A -0.1867
41 P A -0.7032
42 P A -0.9497
43 C A -0.6858
44 L A 0.4258
45 D A -1.3223
46 G A -0.9830
47 S A -1.1619
48 P A -1.3070
49 C A 0.0000
50 A A -1.6442
51 N A -1.8150
52 G A -1.3853
53 G A 0.0000
54 R A -1.7595
55 C A 0.0000
56 T A -0.5890
57 Q A -1.4409
58 L A -0.9019
59 P A -1.1003
60 S A -1.6392
61 R A -2.8547
62 E A -2.7769
63 A A -1.7750
64 A A -1.3092
65 C A -1.0267
66 L A 0.4732
67 C A -0.3018
68 P A -0.2002
69 P A -0.4497
70 G A -1.0301
71 W A -1.1812
72 V A -0.9904
73 G A -1.2714
74 E A -2.4272
75 R A -2.9270
76 C A 0.0000
77 Q A -2.0188
78 L A -1.6370
79 E A -2.3250
80 D A -1.6352
81 P A -1.3888
82 C A -0.9963
83 H A -1.6214
84 S A -1.1501
85 G A -0.8668
86 P A -0.3948
87 C A -0.7758
88 A A -0.5493
89 G A -0.9786
90 R A -1.6437
91 G A -1.0633
92 V A 0.4628
93 C A -0.2867
94 Q A -0.8100
95 S A -0.5615
96 S A -0.1069
97 V A 0.6763
98 V A 1.5460
99 A A 0.6144
100 G A -0.2061
101 T A -0.1136
102 A A 0.0000
103 R A -1.3484
104 F A -0.5025
105 S A -0.8257
106 C A -0.9452
107 R A -1.7415
108 C A -1.1198
109 P A -1.2509
110 R A -1.8224
111 G A -0.4633
112 F A -0.3632
113 R A -0.6481
114 G A -0.5758
115 P A -0.7915
116 D A -0.8322
117 C A 0.0000
118 S A -0.3291
119 L A 0.3867
120 P A -0.0690
121 D A -0.1885
122 P A 0.1270
123 C A 0.1921
124 L A 0.4219
125 S A 0.1030
126 S A -0.2142
127 P A -0.3988
128 C A -1.1095
129 A A -1.5027
130 H A -1.7174
131 G A -1.2946
132 A A -1.5227
133 R A -1.8003
134 C A -0.1984
135 S A -0.0015
136 V A 0.2701
137 G A 0.0000
138 P A -1.1176
139 D A -2.1280
140 G A -1.2999
141 R A -1.5918
142 F A -0.3629
143 L A 0.2464
144 C A -0.6236
145 S A -0.8775
146 C A -1.2523
147 P A -0.8049
148 P A -0.4862
149 G A -0.8501
150 Y A -1.7561
151 Q A -2.3717
152 G A -2.4326
153 R A -2.3486
154 S A 0.0000
155 C A 0.0000
156 R A -2.8909
157 S A -2.2055
158 D A -1.8624
159 V A -1.1023
160 D A -1.1010
161 E A -1.4287
162 C A -1.4953
163 R A -1.7906
164 V A 0.0883
165 G A -1.1123
166 E A -2.3291
167 P A -1.7311
168 C A 0.0000
169 R A -3.0124
170 H A -2.1905
171 G A -1.7094
172 G A -1.7706
173 T A -1.2716
174 C A -1.4646
175 L A -0.7166
176 N A -1.2317
177 T A -0.8212
178 P A -0.9564
179 G A -1.0790
180 S A -0.8195
181 F A -0.9777
182 R A -1.8881
183 C A -1.6312
184 Q A -1.5287
185 C A -1.3202
186 P A -0.6235
187 A A 0.1156
188 G A 0.0810
189 Y A -0.6717
190 T A -0.8501
191 G A -1.0975
192 P A -1.1893
193 L A -1.4938
194 C A 0.0000
195 E A -2.3027
196 N A -1.8084
197 P A -0.6731
198 A A 0.1748
199 V A 0.8036
200 P A -0.2052
201 C A -0.3456
202 A A 0.1728
203 P A -0.0366
204 S A -0.7406
205 P A -1.1519
206 C A 0.0000
207 R A -2.8964
208 N A -1.9546
209 G A -1.3402
210 G A -1.6781
211 T A -1.2185
212 C A -1.8655
213 R A -2.9370
214 Q A -2.4334
215 S A -1.7692
216 G A -1.3038
217 D A -1.2341
218 L A 0.5103
219 T A -0.6045
220 Y A -1.6308
221 D A -2.8109
222 C A 0.0000
223 A A -0.9444
224 C A -0.8732
225 L A 0.1362
226 P A -0.2640
227 G A -0.4006
228 F A -1.0797
229 E A -2.1253
230 G A -1.9372
231 Q A -2.3936
232 N A -2.3586
233 C A 0.0000
234 E A -2.1367
235 V A -0.8604
236 N A -0.8321
237 V A -0.8503
238 D A -1.6723
239 D A -1.6279
240 C A -1.5344
241 P A -1.3905
242 G A -1.3158
243 H A -1.6005
244 R A -2.0236
245 C A 0.0000
246 L A 0.0781
247 N A -0.6787
248 G A -0.6180
249 G A -0.8167
250 T A -0.6300
251 C A -0.6057
252 V A -0.2663
253 D A -0.9859
254 G A -0.2929
255 V A 0.6252
256 N A -0.8696
257 T A -0.7852
258 Y A -1.2773
259 N A -1.7598
260 C A -1.3211
261 Q A -1.3847
262 C A -1.1740
263 P A -0.6828
264 P A -0.7726
265 E A -1.2263
266 W A -1.1304
267 T A -1.5106
268 G A -1.5261
269 Q A -1.9181
270 F A -1.3550
271 C A 0.0000
272 T A -1.2129
273 E A -2.0454
274 D A -1.2429
275 V A -0.7896
276 D A -0.7518
277 E A 0.0000
278 C A -0.6093
279 Q A -0.9659
280 L A 0.0904
281 Q A -1.3817
282 P A -1.4237
283 N A -2.0836
284 A A -1.4043
285 C A 0.0000
286 H A -1.8691
287 N A -1.6327
288 G A -0.8480
289 G A -0.0248
290 T A 0.7874
291 C A 0.5399
292 F A 1.6540
293 N A 0.0715
294 T A 0.4404
295 L A 0.7342
296 G A -0.4114
297 G A -0.1892
298 H A -0.3577
299 S A 0.1371
300 C A 0.7001
301 V A 1.9949
302 C A 0.5202
303 V A 0.8346
304 N A -0.2288
305 G A 0.0000
306 W A -0.4257
307 T A -0.8297
308 G A -1.2944
309 E A -2.0245
310 S A -1.4855
311 C A 0.0000
312 S A -1.5632
313 Q A -1.9448
314 N A -1.0970
315 I A -0.6712
316 D A -1.8029
317 D A -0.7355
318 C A -0.3736
319 A A -0.3216
320 T A 0.1441
321 A A 0.8316
322 V A 2.0441
323 C A 1.6394
324 F A 1.1212
325 H A -0.7417
326 G A -0.4573
327 A A 0.2095
328 T A 0.1099
329 C A 0.1746
330 H A -0.9603
331 D A -0.8369
332 R A -0.0748
333 V A 0.9960
334 A A 0.2097
335 S A 0.1172
336 F A 0.6973
337 Y A 1.0261
338 C A 0.0000
339 A A 0.4880
340 C A 0.5625
341 P A 0.1994
342 M A 0.8540
343 G A -0.0641
344 K A -0.8637
345 T A -0.3488
346 G A 0.3284
347 L A 1.8246
348 L A 1.7357
349 C A 0.0000
350 H A -0.0611
351 L A -1.2125
352 D A -2.3004
353 D A -1.2580
354 A A -1.0083
355 C A -0.2458
356 V A 0.6812
357 S A -0.1497
358 N A -1.1552
359 P A -1.1133
360 C A -1.3932
361 H A -2.4008
362 E A -3.0327
363 D A -2.4428
364 A A -1.1851
365 I A 0.4105
366 C A 0.0115
367 D A -0.0398
368 T A 0.0000
369 N A -1.1242
370 P A -0.6093
371 V A -0.7275
372 N A -1.8899
373 G A -2.0683
374 R A -2.4046
375 A A 0.0000
376 I A 0.1596
377 C A -0.2219
378 T A -0.1617
379 C A -0.7359
380 P A 0.0000
381 P A -0.5196
382 G A 0.0000
383 F A 0.0000
384 T A -1.3313
385 G A -1.4431
386 G A -1.0216
387 A A -1.3815
388 C A 0.0000
389 D A -3.0230
390 Q A -2.6769
391 D A -2.0712
392 V A -1.0377
393 D A -0.8827
394 E A -0.0221
395 C A 0.0000
396 S A -0.2573
397 I A 0.8236
398 G A 0.2722
399 A A -0.4367
400 N A -0.9651
401 P A -0.9192
402 C A 0.0000
403 E A -2.5496
404 H A -1.1755
405 L A -0.3035
406 G A 0.0000
407 R A -1.7152
408 C A 0.0000
409 V A 0.1509
410 N A -0.4540
411 T A -0.4362
412 Q A -1.7366
413 G A -1.5542
414 S A -0.2808
415 F A 0.1289
416 L A 0.8332
417 C A 0.0000
418 Q A -0.8229
419 Y A -0.6804
420 G A -0.6752
421 R A -1.4848
422 G A 0.0000
423 Y A -0.9837
424 T A -1.2780
425 G A -1.1919
426 P A -1.0985
427 R A -2.4702
428 C A 0.0000
429 E A -2.3948
430 T A -1.7405
431 D A -1.2943
432 V A -0.5938
433 N A -0.5461
434 E A -0.5785
435 C A -0.0329
436 L A 0.9529
437 S A 0.0930
438 G A -0.5427
439 P A -0.3669
440 C A -0.8942
441 R A -2.2810
442 N A -1.9114
443 Q A -1.9726
444 A A -0.9780
445 T A -0.4137
446 C A -0.2370
447 L A 0.0000
448 D A -0.4384
449 R A -0.1482
450 I A 0.5212
451 G A 0.0000
452 Q A -0.6003
453 F A -0.1339
454 T A 0.0328
455 C A -0.0124
456 I A 0.1489
457 C A -0.2107
458 M A -0.1349
459 A A 0.0064
460 G A 0.0000
461 F A 0.0000
462 T A -0.2702
463 G A -0.1329
464 T A 0.1502
465 Y A 0.1801
466 C A 0.0000
467 E A -1.0183
468 V A -0.2826
469 D A -1.8814
470 I A -1.5153
471 D A -3.0457
472 E A -2.9102
473 C A -2.1468
474 Q A -2.1897
475 S A -1.5760
476 S A -0.6693
477 P A -0.6555
478 C A 0.0000
479 V A -0.2146
480 N A -1.0677
481 G A -0.4617
482 G A 0.1295
483 V A 1.0971
484 C A -0.6772
485 K A -2.3105
486 D A -3.6130
487 R A -2.9130
488 V A -0.6995
489 N A -1.5348
490 G A -1.4944
491 F A -1.6245
492 S A -0.8214
493 C A 0.0568
494 T A 0.3442
495 C A 0.2563
496 P A -0.3473
497 S A -0.9940
498 G A -1.9754
499 F A -1.1597
500 S A -0.6202
501 G A -0.5447
502 S A -0.3257
503 T A -0.1742
504 C A 0.0000
505 Q A -1.2002
506 L A -0.4343
507 D A -2.5561
508 V A -1.9504
509 D A -2.9395
510 E A -2.7980
511 C A -1.7067
512 A A -0.9692
513 S A -0.7168
514 T A -0.9077
515 P A -0.9614
516 C A 0.0000
517 R A -3.1975
518 N A -2.9264
519 G A -2.3561
520 A A -2.8537
521 K A -2.9409
522 C A -2.2289
523 V A -1.9165
524 D A -3.2255
525 Q A -2.8528
526 P A -2.5936
527 D A -2.9337
528 G A -2.1754
529 Y A -2.0205
530 E A -2.1992
531 C A -2.2446
532 R A -2.8585
533 C A -2.8481
534 A A -1.9587
535 E A -1.7552
536 G A -0.9431
537 F A -2.2632
538 E A -3.0529
539 G A -2.1039
540 T A -1.4227
541 L A -1.7515
542 C A 0.0000
543 D A -3.5553
544 R A -3.3257
545 N A -2.2691
546 V A -1.3452
547 D A -1.7980
548 D A -1.3795
549 C A -1.6946
550 S A -1.5544
551 P A -1.5043
552 D A -2.7071
553 P A -1.9320
554 C A 0.0000
555 H A -2.5110
556 H A -1.9503
557 G A -1.7991
558 R A -2.2540
559 C A -1.3255
560 V A -0.2067
561 D A -1.4300
562 G A 0.0453
563 I A 1.0240
564 A A -0.1029
565 S A 0.0125
566 F A -0.1604
567 S A -0.3600
568 C A -0.9810
569 A A -0.4858
570 C A -0.8751
571 A A -0.5928
572 P A -0.4198
573 G A -0.8384
574 Y A -0.9657
575 T A -0.8874
576 G A -1.1585
577 T A -0.9892
578 R A -2.3093
579 C A 0.0000
580 E A -2.4372
581 S A -1.6776
582 Q A -1.4617
583 V A -1.3072
584 D A -2.6349
585 E A -2.3812
586 C A 0.0000
587 R A -3.0128
588 S A -1.9934
589 Q A -2.7141
590 P A -1.4401
591 C A -1.7902
592 R A -2.6725
593 H A -1.8617
594 G A -2.0765
595 G A -2.2561
596 K A -2.8341
597 C A 0.0000
598 L A -0.9523
599 D A -1.9220
600 L A -0.4623
601 V A -0.2574
602 D A -2.1928
603 K A -1.9328
604 Y A -0.6306
605 L A 0.5265
606 C A -0.8349
607 R A -1.8434
608 C A -1.2277
609 P A -1.3619
610 S A -0.7226
611 G A -0.7586
612 T A 0.0000
613 T A 0.1372
614 G A 0.2816
615 V A 1.3769
616 N A -0.4592
617 C A 0.0000
618 E A -0.6207
619 V A 0.6634
620 N A -0.5831
621 I A -0.0407
622 D A -2.2507
623 D A -2.8303
624 C A -2.0481
625 A A -1.1002
626 S A -1.1761
627 N A -1.2525
628 P A -0.4622
629 C A 0.0882
630 T A 0.4102
631 F A 1.0956
632 G A 0.7243
633 V A 1.2157
634 C A -0.4293
635 R A -2.7627
636 D A -3.1032
637 G A -2.2403
638 I A -1.0607
639 N A -2.2816
640 R A -3.1211
641 Y A -2.7264
642 D A -1.8048
643 C A -0.1194
644 V A 0.6627
645 C A 0.3634
646 Q A -1.0516
647 P A -1.4884
648 G A -2.0389
649 F A -1.0270
650 T A -0.1667
651 G A -0.0633
652 P A -0.1128
653 L A 0.4943
654 C A 0.0000
655 N A -0.6823
656 V A -0.0675
657 E A -1.9197
658 I A -1.2036
659 N A -1.9947
660 E A -1.7754
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1973 E A 0.0000
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1993 D A -1.7914
1994 H A -0.8864
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1998 R A -1.4672
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2016 L A -0.9116
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2248 S A -0.7951
2249 P A -1.4216
2250 E A -2.3633
2251 S A -1.9625
2252 P A -1.7891
2253 E A -2.4430
2254 H A -1.4272
2255 W A 0.1844
2256 A A -0.0176
2257 S A -0.1608
2258 P A -0.4022
2259 S A -0.5807
2260 P A -0.4404
2261 P A -0.1863
2262 S A 0.2909
2263 L A 1.0278
2264 S A -0.1223
2265 D A -1.0492
2266 W A -0.1111
2267 S A -1.0034
2268 E A -1.7823
2269 S A -1.3365
2270 T A -0.7813
2271 P A -0.4993
2272 S A -0.4763
2273 P A -0.4049
2274 A A -0.1306
2275 T A -0.0848
2276 A A -0.1227
2277 T A -0.2743
2278 G A -0.2356
2279 A A 0.3468
2280 M A 1.0021
2281 A A 0.5700
2282 T A 0.1531
2283 T A -0.2373
2284 T A -0.3485
2285 G A -0.1624
2286 A A 0.5124
2287 L A 1.3496
2288 P A 0.3002
2289 A A -0.4550
2290 Q A -0.9933
2291 P A -0.1310
2292 L A 1.3483
2293 P A 1.2358
2294 L A 2.0108
2295 S A 1.4053
2296 V A 1.8129
2297 P A 0.4272
2298 S A 0.2642
2299 S A 0.5042
2300 L A 1.1507
2301 A A 0.1176
2302 Q A -1.0669
2303 A A -1.1911
2304 Q A -1.7070
2305 T A -0.8941
2306 Q A -0.7134
2307 L A 0.5875
2308 G A -0.3751
2309 P A -0.8360
2310 Q A -1.9646
2311 P A -1.4436
2312 E A -1.3302
2313 V A 0.7010
2314 T A -0.0590
2315 P A -1.3773
2316 K A -2.8705
2317 R A -2.8918
2318 Q A -1.2765
2319 V A 1.3058
2320 L A 2.1732
2321 A A 1.2085
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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 -0.0627 6.911 View CSV PDB
4.5 -0.1448 6.911 View CSV PDB
5.0 -0.2442 6.911 View CSV PDB
5.5 -0.347 6.911 View CSV PDB
6.0 -0.4409 6.911 View CSV PDB
6.5 -0.5184 6.911 View CSV PDB
7.0 -0.5792 6.911 View CSV PDB
7.5 -0.6286 6.911 View CSV PDB
8.0 -0.67 6.911 View CSV PDB
8.5 -0.702 6.911 View CSV PDB
9.0 -0.7212 6.911 View CSV PDB