Project name: C278Y

Status: done

Started: 2026-05-12 07:13:18
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDEYQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:18:19)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/215c5954676c6f9/tmp/folded.pdb                (00:18:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:59)
Show buried residues

Minimal score value
-4.6977
Maximal score value
6.0588
Average score
-0.7453
Total score value
-1729.9479

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 0.7117
2 G A -0.1918
3 P A -0.4431
4 G A -0.9789
5 A A -1.3115
6 R A -2.5922
7 G A -2.9038
8 R A -3.8359
9 R A -4.2456
10 R A -4.5743
11 R A -4.5439
12 R A -4.1624
13 R A -3.0378
14 P A -1.3398
15 M A 0.3183
16 S A -0.1605
17 P A -0.3246
18 P A -0.5218
19 P A -0.6617
20 P A -0.6390
21 P A -0.2910
22 P A 0.0776
23 P A 0.3894
24 V A 1.3441
25 R A -0.1909
26 A A 0.8529
27 L A 1.7591
28 P A 1.6327
29 L A 3.1805
30 L A 3.7832
31 L A 3.8797
32 L A 3.6188
33 L A 2.7746
34 A A 1.0882
35 G A -0.0327
36 P A -0.4909
37 G A -0.6434
38 A A -0.2691
39 A A -0.2903
40 A A 0.0163
41 P A -0.6468
42 P A -0.9568
43 C A -0.6612
44 L A 0.4466
45 D A -1.3199
46 G A -0.9648
47 S A -1.1268
48 P A -1.2254
49 C A -1.5901
50 A A -1.5308
51 N A -1.7329
52 G A -1.3329
53 G A 0.0000
54 R A -1.7178
55 C A 0.0000
56 T A -0.7050
57 Q A -1.3702
58 L A -0.9007
59 P A -1.1062
60 S A -1.6498
61 R A -2.8475
62 E A -2.7588
63 A A -1.8496
64 A A -1.2255
65 C A -0.9305
66 L A 0.5142
67 C A -0.2463
68 P A -0.1912
69 P A -0.4502
70 G A -1.0226
71 W A -1.1247
72 V A -0.9298
73 G A -1.1724
74 E A -2.3110
75 R A -2.7075
76 C A 0.0000
77 Q A -1.8596
78 L A -1.5549
79 E A -2.3034
80 D A -1.5752
81 P A -1.3329
82 C A -0.9053
83 H A -1.6188
84 S A -1.1456
85 G A -0.8593
86 P A -0.3804
87 C A -0.7259
88 A A -0.5476
89 G A -0.9525
90 R A -1.6297
91 G A -1.0212
92 V A 0.4724
93 C A -0.1177
94 Q A -0.4855
95 S A -0.3719
96 S A 0.0021
97 V A 0.7443
98 V A 1.5783
99 A A 0.6261
100 G A -0.1784
101 T A -0.1665
102 A A 0.0000
103 R A -1.3160
104 F A -0.5122
105 S A -0.6954
106 C A -0.8213
107 R A -1.6702
108 C A -1.1151
109 P A -1.2390
110 R A -1.7700
111 G A -0.3833
112 F A -0.3644
113 R A -0.6764
114 G A -0.5980
115 P A -0.7876
116 D A -0.8289
117 C A 0.0000
118 S A -0.3652
119 L A 0.3428
120 P A -0.1265
121 D A -0.1906
122 P A 0.1873
123 C A 0.3568
124 L A 0.7137
125 S A 0.2547
126 S A -0.1181
127 P A -0.2973
128 C A -1.0495
129 A A -1.5146
130 H A -1.6987
131 G A -1.2946
132 A A -1.4858
133 R A -1.7420
134 C A -0.0606
135 S A 0.0723
136 V A 0.2715
137 G A -0.4418
138 P A -1.1282
139 D A -2.1519
140 G A -1.3580
141 R A -1.6813
142 F A -0.2141
143 L A 0.5740
144 C A -0.4862
145 S A -0.7940
146 C A -1.2081
147 P A -0.7980
148 P A -0.4568
149 G A -0.7279
150 Y A -1.6806
151 Q A -2.3371
152 G A -2.4130
153 R A -2.2789
154 S A -1.8172
155 C A 0.0000
156 R A -2.8611
157 S A -2.1390
158 D A -1.6982
159 V A -1.0428
160 D A -1.1047
161 E A -1.3812
162 C A -1.4499
163 R A -1.7735
164 V A 0.1111
165 G A -1.0565
166 E A -2.4051
167 P A -1.7935
168 C A 0.0000
169 R A -2.9113
170 H A -2.1845
171 G A -1.7376
172 G A -1.7505
173 T A -1.2903
174 C A -1.4434
175 L A -0.4933
176 N A -1.1362
177 T A -0.7587
178 P A -0.8850
179 G A -1.0092
180 S A -0.7574
181 F A -0.9140
182 R A -1.8654
183 C A -1.6393
184 Q A -1.3596
185 C A -1.2995
186 P A -0.6925
187 A A -0.1518
188 G A 0.0052
189 Y A -0.6740
190 T A -0.7714
191 G A -1.1336
192 P A -1.1126
193 L A -1.4075
194 C A 0.0000
195 E A -1.7415
196 N A -1.6009
197 P A -0.6131
198 A A 0.1848
199 V A 0.8549
200 P A -0.0862
201 C A -0.2804
202 A A 0.0534
203 P A -0.0344
204 S A -0.6909
205 P A -1.1378
206 C A 0.0000
207 R A -2.6342
208 N A -1.7771
209 G A -1.2409
210 G A -1.5940
211 T A -1.1526
212 C A -1.8195
213 R A -2.9110
214 Q A -2.3480
215 S A -1.7002
216 G A -1.3390
217 D A -1.1133
218 L A 0.6833
219 T A -0.4849
220 Y A -1.5429
221 D A -2.7916
222 C A 0.0000
223 A A -0.9237
224 C A -0.8214
225 L A 0.2072
226 P A -0.0040
227 G A -0.4155
228 F A -1.0064
229 E A -2.0451
230 G A -1.8501
231 Q A -2.3689
232 N A -2.3294
233 C A 0.0000
234 E A -2.2492
235 V A -0.6891
236 N A -0.7927
237 V A -0.7330
238 D A -1.7417
239 D A -1.9664
240 C A -1.6847
241 P A -1.5069
242 G A -1.3741
243 H A -1.6488
244 R A -2.0647
245 C A -0.9417
246 L A 0.0912
247 N A -0.8503
248 G A -0.5958
249 G A -0.7970
250 T A -0.6232
251 C A -0.6462
252 V A -0.3191
253 D A -1.0558
254 G A -0.3545
255 V A 0.5957
256 N A -0.8530
257 T A -0.8193
258 Y A -1.4237
259 N A -1.6786
260 C A -1.2895
261 Q A -1.3604
262 C A -1.1716
263 P A -0.6808
264 P A -0.6958
265 E A -1.0880
266 W A -1.1854
267 T A -1.4025
268 G A -1.6472
269 Q A -1.9032
270 F A -1.2748
271 C A 0.0000
272 T A -1.1911
273 E A -2.1143
274 D A -1.4251
275 V A 0.0000
276 D A -1.0199
277 E A 0.0000
278 Y A -0.2732
279 Q A -0.7620
280 L A 0.2896
281 Q A -0.9706
282 P A -1.1523
283 N A -1.9580
284 A A -1.2482
285 C A 0.0000
286 H A -2.2478
287 N A -1.7739
288 G A -1.3301
289 G A -0.9022
290 T A -0.3285
291 C A 0.0000
292 F A -0.1075
293 N A -0.9209
294 T A -0.3186
295 L A 0.4234
296 G A -0.4455
297 G A -0.3485
298 H A -0.8224
299 S A -0.3979
300 C A -0.2861
301 V A 0.4577
302 C A -0.4084
303 V A -0.2155
304 N A -0.7268
305 G A 0.0000
306 W A -0.5834
307 T A -1.1182
308 G A -1.4630
309 E A -2.2143
310 S A -1.7099
311 C A 0.0000
312 S A -1.6734
313 Q A -1.8413
314 N A -1.3442
315 I A -0.8540
316 D A -2.0453
317 D A -1.1238
318 C A -0.5201
319 A A -0.2605
320 T A 0.0287
321 A A 0.8003
322 V A 1.9708
323 C A 1.6422
324 F A 1.0171
325 H A -0.7928
326 G A -0.4868
327 A A 0.2238
328 T A 0.2241
329 C A 0.2174
330 H A -0.8316
331 D A -1.4205
332 R A -1.5562
333 V A -0.2526
334 A A -0.4497
335 S A -0.5630
336 F A 0.1219
337 Y A 0.8922
338 C A 0.0000
339 A A 0.5996
340 C A 0.5522
341 P A 0.1735
342 M A 0.7873
343 G A -0.1106
344 K A -0.9949
345 T A -0.6599
346 G A 0.3367
347 L A 2.1591
348 L A 1.7185
349 C A 0.0000
350 H A -0.2094
351 L A -1.1111
352 D A -2.3986
353 D A -1.6653
354 A A -1.3165
355 C A -0.5633
356 V A 0.4784
357 S A -0.2652
358 N A -1.1088
359 P A -1.0655
360 C A -1.3102
361 H A -2.1708
362 E A -3.3646
363 D A -2.1821
364 A A -0.8474
365 I A 0.9791
366 C A -0.2172
367 D A -1.3281
368 T A 0.0000
369 N A -1.0800
370 P A -0.2914
371 V A 0.8464
372 N A -1.2541
373 G A -1.8435
374 R A -2.1637
375 A A -1.2971
376 I A -0.0713
377 C A -0.2327
378 T A 0.3483
379 C A -0.3149
380 P A 0.0000
381 P A -0.5398
382 G A -0.8714
383 F A -1.5679
384 T A -1.2310
385 G A -1.4106
386 G A -0.9547
387 A A -1.3002
388 C A 0.0000
389 D A -2.9485
390 Q A -2.6341
391 D A -2.1121
392 V A -1.0139
393 D A -0.8768
394 E A -0.4782
395 C A 0.0824
396 S A 0.7038
397 I A 1.2607
398 G A -0.1105
399 A A -0.4786
400 N A -1.3893
401 P A 0.0000
402 C A 0.0000
403 E A -2.6188
404 H A -1.2284
405 L A -0.0987
406 G A 0.0000
407 R A -1.8397
408 C A -0.8525
409 V A 0.1094
410 N A -0.5145
411 T A -0.4237
412 Q A -1.7469
413 G A -1.5568
414 S A -0.4325
415 F A 0.0801
416 L A 0.6991
417 C A -0.7137
418 Q A -0.9698
419 C A -1.5937
420 G A -1.3469
421 R A -1.7824
422 G A 0.0000
423 Y A -1.3015
424 T A -1.5315
425 G A -1.4051
426 P A -1.1295
427 R A -2.4300
428 C A 0.0000
429 E A -2.4119
430 T A -1.9537
431 D A -2.2710
432 V A -0.8728
433 N A -0.8505
434 E A -0.6947
435 C A -0.1867
436 L A 0.9963
437 S A 0.1770
438 G A -0.4802
439 P A -0.2869
440 C A -0.5749
441 R A -2.2570
442 N A -1.8576
443 Q A -1.7535
444 A A -0.3714
445 T A 0.1795
446 C A 0.1170
447 L A -0.2624
448 D A -1.7048
449 R A -1.8839
450 I A -0.2669
451 G A 0.0000
452 Q A -1.4410
453 F A -0.6646
454 T A 0.0177
455 C A 0.7863
456 I A 2.1101
457 C A 0.7622
458 M A 0.3731
459 A A 0.4109
460 G A -0.6725
461 F A -0.2311
462 T A 0.0159
463 G A 0.0722
464 T A 0.3820
465 Y A 0.4522
466 C A 0.0000
467 E A -0.9893
468 V A -0.2828
469 D A -1.6916
470 I A -1.3955
471 D A -2.8620
472 E A -2.6570
473 C A -1.8511
474 Q A -2.0624
475 S A -1.3331
476 S A -0.5273
477 P A -0.1785
478 C A 0.2303
479 V A 0.5144
480 N A -0.7156
481 G A -0.2382
482 G A 0.3198
483 V A 1.2784
484 C A -0.3844
485 K A -1.9580
486 D A -2.4430
487 R A -2.3385
488 V A -0.3358
489 N A -1.2908
490 G A -1.2275
491 F A -1.1902
492 S A -0.5921
493 C A 0.2784
494 T A 0.2827
495 C A 0.3488
496 P A -0.3548
497 S A -0.9776
498 G A -1.9496
499 F A -1.0697
500 S A -0.5868
501 G A -0.4516
502 S A -0.1879
503 T A 0.0500
504 C A 0.0000
505 Q A -0.9754
506 L A -0.3516
507 D A -2.5613
508 V A -1.9047
509 D A -2.8992
510 E A -2.7506
511 C A -1.6807
512 A A -1.0127
513 S A -0.7194
514 T A -0.9729
515 P A -0.9456
516 C A 0.0000
517 R A -3.1364
518 N A -2.5409
519 G A -2.1335
520 A A -2.7240
521 K A -2.8967
522 C A -2.2099
523 V A -1.9066
524 D A -3.2071
525 Q A -2.8270
526 P A -2.5722
527 D A -2.9104
528 G A -2.1381
529 Y A -1.9473
530 E A -2.1227
531 C A -2.1838
532 R A -2.8318
533 C A -2.9591
534 A A -1.9877
535 E A -1.9038
536 G A -1.3217
537 F A -2.7366
538 E A -3.5637
539 G A -2.1899
540 T A -1.3070
541 L A -1.4563
542 C A 0.0000
543 D A -3.7491
544 R A -4.0694
545 N A -3.1169
546 V A -2.1107
547 D A -2.5104
548 D A -1.6158
549 C A -1.7404
550 S A -1.6969
551 P A -1.6016
552 D A -2.7034
553 P A -1.9084
554 C A 0.0000
555 H A -2.4483
556 H A -1.8915
557 G A -1.7414
558 R A -2.1497
559 C A -1.1223
560 V A 0.1082
561 D A -1.0208
562 G A 0.1659
563 I A 0.9206
564 A A -0.2065
565 S A 0.0750
566 F A 0.0265
567 S A -0.1754
568 C A -0.9713
569 A A -0.4503
570 C A -0.8404
571 A A -0.5916
572 P A -0.3754
573 G A -0.7779
574 Y A -0.8974
575 T A -0.8505
576 G A -1.0963
577 T A -0.9164
578 R A -2.1553
579 C A 0.0000
580 E A -2.2482
581 S A -1.6208
582 Q A -1.6206
583 V A -1.3332
584 D A -2.7468
585 E A -2.4415
586 C A 0.0000
587 R A -3.0671
588 S A -2.0357
589 Q A -2.7720
590 P A -1.4840
591 C A 0.0000
592 R A -2.6790
593 H A -1.7279
594 G A -1.9788
595 G A -2.2467
596 K A -2.8467
597 C A 0.0000
598 L A -1.0421
599 D A -2.0690
600 L A -0.4313
601 V A -0.0529
602 D A -2.1046
603 K A -1.9036
604 Y A -0.6437
605 L A 0.4539
606 C A -0.8771
607 R A -1.8644
608 C A -1.3197
609 P A -1.3320
610 S A -0.7763
611 G A -0.8656
612 T A 0.0000
613 T A 0.0127
614 G A 0.2362
615 V A 1.3484
616 N A -0.4872
617 C A 0.0000
618 E A -0.6979
619 V A 0.5177
620 N A -0.7625
621 I A -0.3670
622 D A -2.2739
623 D A -2.7965
624 C A -2.1093
625 A A -1.0599
626 S A -1.1664
627 N A -1.3724
628 P A -0.6272
629 C A -0.0704
630 T A 0.3006
631 F A 0.9514
632 G A 0.4922
633 V A 0.6930
634 C A -0.6739
635 R A -2.7462
636 D A -2.8524
637 G A -2.1658
638 I A -0.7667
639 N A -2.1702
640 R A -3.1180
641 Y A -2.7611
642 D A -2.2386
643 C A -0.4999
644 V A 1.0474
645 C A 0.4882
646 Q A -1.0684
647 P A -1.4408
648 G A 0.0000
649 F A -0.8791
650 T A 0.0219
651 G A 0.1461
652 P A -0.0516
653 L A 0.5164
654 C A 0.0000
655 N A -0.3367
656 V A 0.1669
657 E A -1.8416
658 I A -1.1894
659 N A -1.9962
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2244 Y A 1.7807
2245 L A 2.0933
2246 T A 0.7900
2247 P A -0.1523
2248 S A -0.7269
2249 P A -1.4018
2250 E A -2.3847
2251 S A -1.9433
2252 P A -1.7669
2253 E A -2.4484
2254 H A -1.4401
2255 W A 0.1796
2256 A A -0.0296
2257 S A -0.1552
2258 P A -0.4040
2259 S A -0.5878
2260 P A -0.4697
2261 P A -0.2212
2262 S A 0.0783
2263 L A 0.9625
2264 S A -0.0956
2265 D A -1.0153
2266 W A -0.1190
2267 S A -0.9774
2268 E A -1.7881
2269 S A -1.3396
2270 T A -0.8007
2271 P A -0.4943
2272 S A -0.4747
2273 P A -0.4130
2274 A A -0.1636
2275 T A -0.0862
2276 A A -0.1224
2277 T A -0.2710
2278 G A -0.2451
2279 A A 0.3474
2280 M A 1.0025
2281 A A 0.5929
2282 T A 0.1498
2283 T A -0.2346
2284 T A -0.3422
2285 G A -0.1517
2286 A A 0.4740
2287 L A 1.3506
2288 P A 0.2752
2289 A A -0.4446
2290 Q A -0.9960
2291 P A -0.1295
2292 L A 1.3551
2293 P A 1.2285
2294 L A 2.0154
2295 S A 1.4067
2296 V A 1.8132
2297 P A 0.4257
2298 S A 0.2627
2299 S A 0.5028
2300 L A 1.1517
2301 A A 0.1187
2302 Q A -1.0684
2303 A A -1.1871
2304 Q A -1.7068
2305 T A -0.8933
2306 Q A -0.7173
2307 L A 0.5903
2308 G A -0.3719
2309 P A -0.8340
2310 Q A -1.9713
2311 P A -1.4631
2312 E A -1.3440
2313 V A 0.7088
2314 T A -0.0396
2315 P A -1.3755
2316 K A -2.8702
2317 R A -2.8927
2318 Q A -1.2904
2319 V A 1.3149
2320 L A 2.1744
2321 A A 1.2060
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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 -0.0628 7.2732 View CSV PDB
4.5 -0.1451 7.2732 View CSV PDB
5.0 -0.2452 7.2732 View CSV PDB
5.5 -0.349 7.2732 View CSV PDB
6.0 -0.4441 7.2732 View CSV PDB
6.5 -0.5229 7.2732 View CSV PDB
7.0 -0.5853 7.2732 View CSV PDB
7.5 -0.6361 7.2732 View CSV PDB
8.0 -0.679 7.2732 View CSV PDB
8.5 -0.7125 7.2732 View CSV PDB
9.0 -0.7331 7.2732 View CSV PDB