Project name: C43Y_var02_4D

Status: done

Started: 2026-05-04 05:44:08
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPYLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:20:15)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/cef09e95a23564a/tmp/folded.pdb                (00:20:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:53)
Show buried residues

Minimal score value
-4.7681
Maximal score value
5.9226
Average score
-0.7434
Total score value
-1725.4611

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 0.7078
2 G A -0.1816
3 P A -0.6237
4 G A -1.0432
5 A A -1.4889
6 R A -2.8580
7 G A -2.8567
8 R A -4.0710
9 R A -4.5771
10 R A -4.5939
11 R A -4.7340
12 R A -4.1919
13 R A -3.0596
14 P A -1.3176
15 M A 0.0870
16 S A -0.1879
17 P A -0.3558
18 P A -0.5202
19 P A -0.6777
20 P A -0.6793
21 P A -0.4319
22 P A -0.3705
23 P A -0.0694
24 V A 0.8628
25 R A -0.6738
26 A A 0.4537
27 L A 1.7698
28 P A 1.6284
29 L A 3.1645
30 L A 3.7940
31 L A 3.7888
32 L A 3.6546
33 L A 2.7594
34 A A 1.1067
35 G A -0.0984
36 P A -0.4930
37 G A -0.6547
38 A A -0.2794
39 A A -0.1399
40 A A 0.0627
41 P A 0.1861
42 P A 0.4591
43 Y A 1.1854
44 L A 0.9266
45 D A -1.0494
46 G A -0.6234
47 S A -0.7856
48 P A -0.6446
49 C A 0.0000
50 A A -1.1557
51 N A -1.3334
52 G A -1.2719
53 G A 0.0000
54 R A -1.6116
55 C A -0.6606
56 T A -0.9141
57 Q A -2.1150
58 L A -1.1917
59 P A -1.2603
60 S A -1.7582
61 R A -3.0079
62 E A -2.9060
63 A A -1.9486
64 A A -1.2107
65 C A -0.7575
66 L A 0.6554
67 C A -0.1056
68 P A -0.1990
69 P A -0.4543
70 G A -1.0289
71 W A -0.8726
72 V A -0.8086
73 G A -0.9436
74 E A -1.9943
75 R A -1.9660
76 C A 0.0000
77 Q A -1.6364
78 L A -1.4438
79 E A -2.3092
80 D A -1.6209
81 P A -1.3846
82 C A -0.9910
83 H A -1.6239
84 S A -1.1461
85 G A -0.8562
86 P A -0.5642
87 C A -0.7672
88 A A -0.5605
89 G A -1.0031
90 R A -1.6556
91 G A -1.0708
92 V A 0.4529
93 C A -0.3059
94 Q A -0.9585
95 S A -0.5523
96 S A -0.0879
97 V A 0.7398
98 V A 1.5775
99 A A 0.6237
100 G A -0.1748
101 T A -0.0912
102 A A 0.0000
103 R A -1.3616
104 F A -0.5499
105 S A -0.8404
106 C A -0.9111
107 R A -1.7345
108 C A -1.1308
109 P A -1.2972
110 R A -1.9070
111 G A -0.6550
112 F A -0.4781
113 R A -0.7001
114 G A -0.6419
115 P A -0.7636
116 D A -0.7947
117 C A 0.0000
118 S A -0.3710
119 L A 0.2833
120 P A -0.2472
121 D A -0.4860
122 P A -0.0338
123 C A 0.0944
124 L A 0.0253
125 S A -0.0690
126 S A -0.3232
127 P A -0.4577
128 C A -1.1432
129 A A -1.6593
130 H A -1.7512
131 G A -1.3105
132 A A -1.5734
133 R A -1.8322
134 C A -0.2741
135 S A -0.0301
136 V A 0.1955
137 G A 0.0000
138 P A -1.0967
139 D A -2.0799
140 G A -1.2755
141 R A -1.4228
142 F A -0.3593
143 L A 0.2488
144 C A -0.6491
145 S A -0.9413
146 C A -1.3617
147 P A -0.8614
148 P A -0.5858
149 G A -1.0815
150 Y A -1.8439
151 Q A -2.3976
152 G A -2.4830
153 R A -2.4039
154 S A -1.9236
155 C A 0.0000
156 R A -2.9586
157 S A -2.2925
158 D A -1.9137
159 V A -1.1349
160 D A -1.0834
161 E A -1.4614
162 C A -1.4155
163 R A -1.7528
164 V A 0.1321
165 G A -1.0204
166 E A -2.3840
167 P A -1.7622
168 C A 0.0000
169 R A -2.9043
170 H A -2.1352
171 G A -1.7387
172 G A -1.7487
173 T A -1.2935
174 C A -1.4157
175 L A -0.5419
176 N A -1.1982
177 T A 0.0000
178 P A -0.9554
179 G A -1.0967
180 S A -0.8239
181 F A -0.9544
182 R A -1.8756
183 C A -1.6461
184 Q A -1.3683
185 C A -1.2149
186 P A -0.6333
187 A A 0.1292
188 G A 0.1319
189 Y A -0.5144
190 T A -0.6530
191 G A -0.9109
192 P A -1.0811
193 L A -1.3775
194 C A 0.0000
195 E A -1.7084
196 N A -1.5259
197 P A -0.3161
198 A A 0.4736
199 V A 1.2924
200 P A 0.0176
201 C A -0.2644
202 A A 0.3178
203 P A 0.0542
204 S A -0.6793
205 P A -1.0337
206 C A -2.1093
207 R A -2.8358
208 N A -1.9405
209 G A -1.3193
210 G A -1.5473
211 T A -1.2219
212 C A 0.0000
213 R A -2.9649
214 Q A -2.4025
215 S A -1.7823
216 G A -1.2567
217 D A -1.1289
218 L A 0.6309
219 T A -0.5113
220 Y A -1.5752
221 D A -2.8284
222 C A 0.0000
223 A A -0.9234
224 C A -0.8078
225 L A 0.1155
226 P A -0.0145
227 G A -0.4247
228 F A -0.9842
229 E A -1.9795
230 G A -1.7388
231 Q A -2.2916
232 N A -2.1967
233 C A 0.0000
234 E A -1.9268
235 V A -0.6630
236 N A -0.6676
237 V A -0.8421
238 D A -1.7614
239 D A -1.9448
240 C A -1.7028
241 P A -1.4024
242 G A -1.3585
243 H A -1.6458
244 R A -2.0958
245 C A 0.0000
246 L A 0.1567
247 N A -0.7575
248 G A -0.6141
249 G A -0.8248
250 T A -0.6815
251 C A -0.8938
252 V A -0.4853
253 D A -1.0816
254 G A -0.3463
255 V A 0.6184
256 N A -0.8495
257 T A -0.7998
258 Y A -1.2642
259 N A -1.8280
260 C A -1.3512
261 Q A -1.4165
262 C A -1.0057
263 P A -0.6521
264 P A -0.7031
265 E A -1.1355
266 W A -0.9026
267 T A -1.2117
268 G A -1.2243
269 Q A -1.8120
270 F A -1.2357
271 C A 0.0000
272 T A -0.7615
273 E A -1.1703
274 D A -0.9375
275 V A -1.0219
276 D A -1.5530
277 E A -1.0416
278 C A -0.7730
279 Q A -1.1782
280 L A -0.0607
281 Q A -0.7933
282 P A -1.0518
283 N A -1.4987
284 A A -0.8770
285 C A 0.0000
286 H A -1.4287
287 N A -1.2637
288 G A -0.6997
289 G A 0.0728
290 T A 0.8014
291 C A 0.5317
292 F A 1.3691
293 N A -0.2191
294 T A 0.5747
295 L A 1.0033
296 G A -0.3530
297 G A -0.3047
298 H A -0.4883
299 S A 0.1082
300 C A 0.7102
301 V A 1.9004
302 C A 0.5007
303 V A 0.9542
304 N A -0.1601
305 G A 0.0000
306 W A -0.3338
307 T A -0.7675
308 G A -1.2161
309 E A -1.9604
310 S A -1.3074
311 C A 0.0000
312 S A -1.4282
313 Q A -1.7047
314 N A -1.2635
315 I A -0.7064
316 D A -1.9837
317 D A -0.9800
318 C A -0.4453
319 A A -0.2226
320 T A 0.0124
321 A A 0.8208
322 V A 1.9568
323 C A 1.6144
324 F A 0.9310
325 H A -0.6625
326 G A -0.4628
327 A A 0.2089
328 T A 0.2410
329 C A 0.4382
330 H A -0.8734
331 D A -1.3487
332 R A -1.4573
333 V A -0.0420
334 A A -0.2796
335 S A -0.4800
336 F A 0.1979
337 Y A 1.0844
338 C A 0.0000
339 A A 0.5998
340 C A 0.5158
341 P A 0.1266
342 M A 0.7757
343 G A -0.1341
344 K A -1.0884
345 T A -0.7530
346 G A 0.3990
347 L A 2.0034
348 L A 1.7180
349 C A 0.0000
350 H A -0.3154
351 L A -1.1337
352 D A -2.2382
353 D A -1.6144
354 A A -1.3011
355 C A -0.4278
356 V A 0.5341
357 S A -0.1567
358 N A -0.9733
359 P A -0.8007
360 C A -1.2132
361 H A -2.2700
362 E A -2.9307
363 D A -2.1913
364 A A -0.8339
365 I A 1.0543
366 C A -0.0494
367 D A -1.0548
368 T A 0.0000
369 N A -0.9198
370 P A -0.2558
371 V A 0.7882
372 N A -0.8838
373 G A -1.7187
374 R A -2.2679
375 A A -0.9562
376 I A 0.3980
377 C A -0.0003
378 T A 0.4777
379 C A -0.2648
380 P A -0.3681
381 P A -0.4305
382 G A -0.7119
383 F A -1.4060
384 T A -1.2133
385 G A -1.4104
386 G A -0.8586
387 A A -1.2284
388 C A 0.0000
389 D A -2.8589
390 Q A -2.6154
391 D A -2.0283
392 V A -0.8949
393 D A -0.8728
394 E A -0.1077
395 C A -0.0391
396 S A 0.1822
397 I A 1.2713
398 G A 0.1971
399 A A -0.3231
400 N A -1.1773
401 P A -0.4975
402 C A 0.0000
403 E A -1.0015
404 H A -0.8305
405 L A 0.3787
406 G A 0.0000
407 R A -1.8321
408 C A 0.0000
409 V A 0.2596
410 N A -0.3135
411 T A -0.3756
412 Q A -1.6323
413 G A -1.2521
414 S A -0.1933
415 F A 0.7188
416 L A 1.2206
417 C A -0.2604
418 Q A -1.3137
419 C A -1.2066
420 G A -1.1895
421 R A -1.9437
422 G A 0.0000
423 Y A -0.9207
424 T A -1.1331
425 G A -0.8377
426 P A -0.4110
427 R A -0.8436
428 C A 0.0000
429 E A -1.6099
430 T A -1.2872
431 D A -1.9873
432 V A -0.7896
433 N A -0.8852
434 E A -0.7799
435 C A -0.2615
436 L A 0.9276
437 S A 0.1773
438 G A -0.4256
439 P A -0.3336
440 C A -0.8046
441 R A -2.1831
442 N A -2.0597
443 Q A -1.7138
444 A A -0.4515
445 T A 0.0976
446 C A 0.1643
447 L A -0.2720
448 D A -1.9784
449 R A -1.8623
450 I A -0.2019
451 G A 0.0000
452 Q A -1.6238
453 F A -0.7898
454 T A -0.0209
455 C A 0.6466
456 I A 1.7355
457 C A 0.8073
458 M A 0.3369
459 A A 0.4196
460 G A 0.0000
461 F A -0.1972
462 T A 0.1635
463 G A -0.0226
464 T A 0.2337
465 Y A 0.2262
466 C A 0.0000
467 E A -0.9797
468 V A -0.2495
469 D A -1.6922
470 I A -1.2249
471 D A -2.9393
472 E A -2.4377
473 C A -1.9412
474 Q A -2.0813
475 S A -1.2114
476 S A -0.5551
477 P A 0.0422
478 C A 0.3146
479 V A 0.5664
480 N A -0.7066
481 G A -0.2500
482 G A 0.3781
483 V A 1.2384
484 C A -0.2866
485 K A -2.2272
486 D A -3.4559
487 R A -2.7728
488 V A -0.4560
489 N A -1.3584
490 G A -1.3174
491 F A -1.4199
492 S A -0.6981
493 C A 0.2225
494 T A 0.3846
495 C A 0.3671
496 P A -0.3014
497 S A -0.9020
498 G A -1.6142
499 F A -0.9298
500 S A -0.3849
501 G A -0.4968
502 S A -0.2224
503 T A 0.0695
504 C A 0.0000
505 Q A -0.9649
506 L A -0.3035
507 D A -2.3462
508 V A -1.6103
509 D A -2.6226
510 E A -2.2454
511 C A -1.4702
512 A A -0.8238
513 S A -0.5693
514 T A -0.7966
515 P A -0.6579
516 C A 0.0000
517 R A -2.9738
518 N A -2.8414
519 G A -2.2323
520 A A -2.8325
521 K A -2.9382
522 C A -2.0152
523 V A -1.9419
524 D A -3.2272
525 Q A -2.9537
526 P A -2.4206
527 D A -2.8393
528 G A -2.0964
529 Y A -1.9605
530 E A -2.4350
531 C A -2.3802
532 R A -3.0924
533 C A -2.9498
534 A A -1.9043
535 E A -1.9509
536 G A -1.4460
537 F A -2.9009
538 E A -3.5814
539 G A -2.5126
540 T A -1.5996
541 L A -1.8622
542 C A 0.0000
543 D A -3.8567
544 R A -4.1730
545 N A -3.1821
546 V A -2.2418
547 D A -2.5818
548 D A -1.8506
549 C A -1.9989
550 S A -1.7605
551 P A -1.5784
552 D A -2.7747
553 P A -1.7060
554 C A -2.0310
555 H A -2.4369
556 H A -1.9220
557 G A -1.8084
558 R A -2.3590
559 C A 0.0000
560 V A -0.6206
561 D A -1.8391
562 G A -0.2112
563 I A 0.8363
564 A A -0.2324
565 S A -0.0784
566 F A -0.2847
567 S A -0.4374
568 C A -1.0612
569 A A -0.5406
570 C A -0.8643
571 A A -0.5732
572 P A -0.3764
573 G A -0.7203
574 Y A -0.8352
575 T A -0.8620
576 G A -1.1733
577 T A -0.9672
578 R A -2.2355
579 C A 0.0000
580 E A -2.3730
581 S A -1.6257
582 Q A -1.4032
583 V A -1.3419
584 D A -2.4700
585 E A -2.9142
586 C A 0.0000
587 R A -3.1006
588 S A -2.0825
589 Q A -2.7752
590 P A -1.6016
591 C A 0.0000
592 R A -2.7658
593 H A -1.8000
594 G A -2.0252
595 G A -2.2461
596 K A -2.8237
597 C A 0.0000
598 L A -1.1376
599 D A -1.9057
600 L A -0.1243
601 V A 0.1087
602 D A -2.0948
603 K A -1.9238
604 Y A -0.9921
605 L A 0.3131
606 C A -1.0617
607 R A -2.1020
608 C A -1.2180
609 P A -1.2778
610 S A -0.5954
611 G A -0.7168
612 T A -0.3770
613 T A 0.1736
614 G A 0.2667
615 V A 1.3146
616 N A -0.5117
617 C A 0.0000
618 E A -0.4783
619 V A 0.7335
620 N A -0.7230
621 I A 0.0601
622 D A -2.1452
623 D A -2.9114
624 C A -1.9998
625 A A -1.0501
626 S A -1.2091
627 N A -1.3507
628 P A -0.4434
629 C A 0.0918
630 T A 0.4065
631 F A 1.0848
632 G A 0.6035
633 V A 1.1032
634 C A -0.5260
635 R A -2.7338
636 D A -2.7596
637 G A -2.2714
638 I A -1.1002
639 N A -2.3019
640 R A -3.2144
641 Y A -2.8246
642 D A -2.3455
643 C A 0.0000
644 V A 0.3926
645 C A 0.2552
646 Q A -0.9468
647 P A -1.4572
648 G A -1.6903
649 F A -0.6150
650 T A 0.0332
651 G A 0.1238
652 P A -0.1309
653 L A 0.6649
654 C A 0.0000
655 N A -0.4400
656 V A 0.4678
657 E A -1.5719
658 I A -1.1333
659 N A -1.9986
660 E A -2.1318
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1973 E A 0.0000
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1991 L A 0.0000
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1995 F A -0.5291
1996 A A 0.0000
1997 N A -1.4875
1998 R A -1.5490
1999 E A -2.1048
2000 I A -1.4865
2001 T A -1.5814
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2016 L A -0.5996
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2247 P A -0.2023
2248 S A -0.7608
2249 P A -1.3868
2250 E A -2.5666
2251 S A -2.0417
2252 P A -1.8542
2253 E A -2.5231
2254 H A -1.4057
2255 W A 0.0504
2256 A A -0.1925
2257 S A -0.2228
2258 P A -0.3895
2259 S A -0.6732
2260 P A -0.4368
2261 P A -0.1523
2262 S A -0.0015
2263 L A 0.8743
2264 S A -0.1064
2265 D A -1.1907
2266 W A -0.2216
2267 S A -1.1168
2268 E A -1.9505
2269 S A -1.1459
2270 T A -0.9432
2271 P A -0.7373
2272 S A -0.5008
2273 P A -0.4160
2274 A A -0.1858
2275 T A -0.1874
2276 A A -0.1492
2277 T A -0.1466
2278 G A -0.2180
2279 A A 0.3351
2280 M A 0.9666
2281 A A 0.4614
2282 T A 0.1674
2283 T A -0.1066
2284 T A -0.1530
2285 G A -0.1873
2286 A A 0.5529
2287 L A 1.2277
2288 P A 0.1574
2289 A A -0.1205
2290 Q A -0.8319
2291 P A 0.0187
2292 L A 1.3812
2293 P A 1.2108
2294 L A 2.0575
2295 S A 1.5468
2296 V A 1.7834
2297 P A 0.3990
2298 S A 0.2485
2299 S A 0.4267
2300 L A 1.1628
2301 A A 0.1017
2302 Q A -1.0329
2303 A A -1.1365
2304 Q A -1.5453
2305 T A -0.9493
2306 Q A -0.8391
2307 L A 0.5200
2308 G A -0.4037
2309 P A -0.9560
2310 Q A -1.9705
2311 P A -1.4582
2312 E A -1.3979
2313 V A 0.7340
2314 T A -0.1386
2315 P A -1.2667
2316 K A -3.0810
2317 R A -3.0520
2318 Q A -1.3715
2319 V A 1.6449
2320 L A 2.2756
2321 A A 1.2295
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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 -0.047 7.9018 View CSV PDB
4.5 -0.1338 7.8279 View CSV PDB
5.0 -0.2375 7.7242 View CSV PDB
5.5 -0.3439 7.6081 View CSV PDB
6.0 -0.4409 7.4974 View CSV PDB
6.5 -0.521 7.4106 View CSV PDB
7.0 -0.5843 7.3592 View CSV PDB
7.5 -0.6363 7.3365 View CSV PDB
8.0 -0.6798 7.3283 View CSV PDB
8.5 -0.7131 7.3256 View CSV PDB
9.0 -0.7325 7.3247 View CSV PDB