Project name: D1836N

Status: done

Started: 2026-05-14 06:18:57
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTNRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:31)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:41:29)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/f8aae0db41e5bfa/tmp/folded.pdb                (00:41:29)
[INFO]       Main:     Simulation completed successfully.                                          (01:01:40)
Show buried residues

Minimal score value
-4.9421
Maximal score value
6.1191
Average score
-0.757
Total score value
-1756.9974

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 0.7651
2 G A -0.1627
3 P A -0.7375
4 G A -1.1830
5 A A -1.5274
6 R A -2.9652
7 G A -2.9354
8 R A -3.9345
9 R A -4.7672
10 R A -4.9421
11 R A -4.6146
12 R A -4.2120
13 R A -3.3453
14 P A -1.4535
15 M A 0.0076
16 S A -0.2137
17 P A -0.3181
18 P A -0.4917
19 P A -0.6977
20 P A -0.7050
21 P A -0.3931
22 P A -0.4175
23 P A -0.1417
24 V A 0.8871
25 R A -0.6284
26 A A 0.5345
27 L A 1.7849
28 P A 1.7070
29 L A 3.2576
30 L A 3.9248
31 L A 3.9695
32 L A 3.7199
33 L A 2.8505
34 A A 1.1511
35 G A 0.0244
36 P A -0.4589
37 G A -0.6609
38 A A -0.3154
39 A A -0.9000
40 A A -1.0653
41 P A -0.6620
42 P A -0.8066
43 C A -0.5622
44 L A 0.4177
45 D A -1.2806
46 G A -0.9031
47 S A -1.1282
48 P A -1.1180
49 C A -1.6418
50 A A -1.6054
51 N A -1.7781
52 G A -1.3539
53 G A 0.0000
54 R A -1.7468
55 C A 0.0000
56 T A -0.6930
57 Q A -1.7505
58 L A -1.0738
59 P A -1.1943
60 S A -1.7106
61 R A -2.9515
62 E A -2.8694
63 A A -1.6581
64 A A -1.3048
65 C A -0.9691
66 L A 0.4879
67 C A -0.2902
68 P A -0.1854
69 P A -0.4266
70 G A -0.9807
71 W A -0.9174
72 V A -0.9715
73 G A -1.3347
74 E A -2.4538
75 R A -2.9063
76 C A 0.0000
77 Q A -2.0762
78 L A -1.6581
79 E A -2.3136
80 D A -1.5834
81 P A -1.3273
82 C A -0.9487
83 H A -1.5947
84 S A -1.1395
85 G A -0.8368
86 P A -0.3245
87 C A -0.7775
88 A A -0.5960
89 G A -1.0237
90 R A -1.8476
91 G A -1.1101
92 V A 0.3430
93 C A -0.3196
94 Q A -0.9758
95 S A -0.5693
96 S A -0.2117
97 V A 0.4504
98 V A 0.9816
99 A A 0.3258
100 G A -0.3921
101 T A -0.3975
102 A A -0.6737
103 R A -1.4404
104 F A -0.6509
105 S A -0.7841
106 C A -0.9208
107 R A -1.7445
108 C A -1.1637
109 P A -1.2743
110 R A -1.8797
111 G A 0.0000
112 F A -0.2988
113 R A -0.7029
114 G A -0.6414
115 P A -0.7774
116 D A -0.8390
117 C A 0.0000
118 S A -0.3686
119 L A 0.3074
120 P A 0.0612
121 D A -0.1795
122 P A 0.1077
123 C A 0.0000
124 L A 0.7885
125 S A 0.2974
126 S A -0.1160
127 P A -0.3030
128 C A -1.0921
129 A A -1.6551
130 H A -1.7641
131 G A -1.3152
132 A A -1.5192
133 R A -1.7767
134 C A -0.2970
135 S A -0.0386
136 V A 0.0155
137 G A -0.6019
138 P A -1.2174
139 D A -2.2666
140 G A -1.5742
141 R A -1.8897
142 F A -0.3604
143 L A 0.4893
144 C A -0.5423
145 S A -0.8252
146 C A -1.2620
147 P A -0.8412
148 P A -0.5966
149 G A -0.9276
150 Y A -1.7968
151 Q A -2.3503
152 G A -2.4500
153 R A -2.2827
154 S A -1.8235
155 C A 0.0000
156 R A -2.9148
157 S A -2.2078
158 D A -1.9061
159 V A -1.1163
160 D A -1.0264
161 E A -1.5955
162 C A -1.4673
163 R A -1.7204
164 V A 0.0646
165 G A -1.1108
166 E A -2.3993
167 P A -1.7152
168 C A 0.0000
169 R A -2.8965
170 H A -2.2160
171 G A -1.7086
172 G A -1.7416
173 T A -1.2060
174 C A -1.3513
175 L A -0.4981
176 N A -1.1913
177 T A -0.8087
178 P A -0.9888
179 G A -1.1374
180 S A -0.8784
181 F A -0.9838
182 R A -1.8425
183 C A -1.5676
184 Q A -1.3270
185 C A -1.3524
186 P A -0.6907
187 A A 0.0749
188 G A 0.1093
189 Y A -0.6031
190 T A -0.7538
191 G A -1.0645
192 P A -1.1532
193 L A -1.4690
194 C A 0.0000
195 E A -2.1163
196 N A -1.7224
197 P A -0.5475
198 A A 0.4526
199 V A 1.3813
200 P A 0.0517
201 C A -0.2810
202 A A 0.3139
203 P A 0.0027
204 S A -0.7505
205 P A -1.1204
206 C A -2.1976
207 R A -2.9553
208 N A -2.0030
209 G A -1.2515
210 G A -1.6045
211 T A -1.2309
212 C A -1.8728
213 R A -2.9376
214 Q A -2.3889
215 S A -1.7742
216 G A -1.4153
217 D A -1.1343
218 L A 0.6178
219 T A -0.5285
220 Y A -1.5783
221 D A -2.8129
222 C A 0.0000
223 A A -0.9399
224 C A -0.8875
225 L A 0.0656
226 P A -0.0254
227 G A -0.4145
228 F A -1.0565
229 E A -2.0750
230 G A -1.8607
231 Q A -2.3894
232 N A -2.4179
233 C A 0.0000
234 E A -2.2418
235 V A -0.8795
236 N A -0.7177
237 V A -0.7838
238 D A -1.7418
239 D A -1.9615
240 C A -1.7043
241 P A -1.4077
242 G A -1.3643
243 H A -1.6544
244 R A -1.9837
245 C A -0.9551
246 L A 0.1320
247 N A -0.6459
248 G A -0.5867
249 G A -0.8006
250 T A -0.6755
251 C A -0.9004
252 V A -0.5129
253 D A -1.0819
254 G A -0.3384
255 V A 0.6440
256 N A -0.8341
257 T A -0.8074
258 Y A -1.4136
259 N A -1.8968
260 C A -1.3428
261 Q A -1.4183
262 C A -1.1153
263 P A -0.6717
264 P A -0.8284
265 E A -1.2848
266 W A -1.1978
267 T A -1.3948
268 G A -1.6280
269 Q A -1.9041
270 F A -1.3287
271 C A 0.0000
272 T A -1.2287
273 E A -2.1118
274 D A -1.4459
275 V A 0.0000
276 D A -0.9494
277 E A -0.8236
278 C A -0.6776
279 Q A -1.0190
280 L A 0.0969
281 Q A -1.1884
282 P A -1.4164
283 N A -1.9760
284 A A -1.3154
285 C A 0.0000
286 H A -1.8210
287 N A -1.9499
288 G A -1.4595
289 G A -0.2823
290 T A 0.5760
291 C A 0.5241
292 F A 1.6306
293 N A -0.0235
294 T A 0.4084
295 L A 0.6983
296 G A -0.4442
297 G A -0.2115
298 H A -0.3128
299 S A 0.1677
300 C A 0.6319
301 V A 1.8631
302 C A 0.3132
303 V A -0.2011
304 N A -0.8057
305 G A 0.0000
306 W A 0.0000
307 T A -0.8580
308 G A -1.3157
309 E A -2.0479
310 S A -1.4644
311 C A 0.0000
312 S A -1.4989
313 Q A -1.8808
314 N A -1.4184
315 I A -0.8048
316 D A -2.0864
317 D A -1.2144
318 C A -0.4060
319 A A -0.2106
320 T A 0.0327
321 A A 0.8246
322 V A 1.9382
323 C A 1.1931
324 F A 0.3449
325 H A -1.1075
326 G A -0.6503
327 A A 0.0791
328 T A 0.2008
329 C A 0.2252
330 H A -0.8118
331 D A -1.5067
332 R A -2.2583
333 V A -1.6462
334 A A -1.4356
335 S A 0.0000
336 F A -0.2585
337 Y A 1.0380
338 C A 0.0000
339 A A 0.4751
340 C A 0.2989
341 P A 0.1494
342 M A 0.8531
343 G A -0.0980
344 K A -1.0964
345 T A -0.9588
346 G A -0.5452
347 L A 0.5073
348 L A 0.9382
349 C A 0.0000
350 H A -1.0837
351 L A -1.7677
352 D A -2.5057
353 D A -1.4821
354 A A -1.4118
355 C A -0.4448
356 V A 0.6788
357 S A -0.0958
358 N A -0.9786
359 P A -1.0666
360 C A -1.3156
361 H A -2.1325
362 E A -2.8514
363 D A -2.2069
364 A A -0.8801
365 I A 0.9389
366 C A -0.0688
367 D A -1.2030
368 T A 0.0000
369 N A -1.6365
370 P A -1.3113
371 V A -0.9264
372 N A -1.9992
373 G A -2.3738
374 R A -2.6681
375 A A -1.2259
376 I A -0.2285
377 C A -0.3074
378 T A 0.2960
379 C A -0.3397
380 P A -0.3524
381 P A -0.4261
382 G A -0.7128
383 F A -1.4408
384 T A -1.0867
385 G A -1.3693
386 G A -0.9985
387 A A -1.3127
388 C A 0.0000
389 D A -2.9003
390 Q A -2.5746
391 D A -1.9751
392 V A -0.9163
393 D A -1.0944
394 E A -0.2589
395 C A -0.1206
396 S A 0.0868
397 I A 1.1253
398 G A -0.4534
399 A A -0.4864
400 N A -1.5325
401 P A -1.0565
402 C A 0.0000
403 E A -2.5152
404 H A -1.3902
405 L A -0.0140
406 G A 0.0000
407 R A -2.1448
408 C A 0.0000
409 V A 0.1391
410 N A -0.3851
411 T A -0.3871
412 Q A -1.6599
413 G A -1.4231
414 S A -0.1475
415 F A 0.5105
416 L A 0.8355
417 C A -0.8458
418 Q A -1.5286
419 C A -1.6625
420 G A -1.2797
421 R A -1.9696
422 G A -1.3388
423 Y A -1.2838
424 T A -1.5937
425 G A -1.5058
426 P A -1.2322
427 R A -2.6223
428 C A 0.0000
429 E A -2.6319
430 T A -1.7646
431 D A -1.7983
432 V A -1.0246
433 N A -1.0209
434 E A -1.0841
435 C A -0.2205
436 L A 0.8850
437 S A 0.0472
438 G A -0.4977
439 P A -0.3848
440 C A -0.7219
441 R A -2.1208
442 N A -1.8661
443 Q A -1.6694
444 A A -0.3431
445 T A 0.3647
446 C A 0.3919
447 L A 0.1618
448 D A -1.0603
449 R A -1.7534
450 I A -0.3951
451 G A 0.0000
452 Q A -1.6714
453 F A -0.5069
454 T A 0.2693
455 C A 1.1128
456 I A 2.1934
457 C A 0.9985
458 M A 0.2844
459 A A 0.3091
460 G A -0.7382
461 F A -0.2447
462 T A 0.1839
463 G A 0.0413
464 T A 0.3251
465 Y A 0.3340
466 C A 0.0000
467 E A -0.9697
468 V A -0.2800
469 D A -1.8748
470 I A -1.5685
471 D A -3.3664
472 E A -3.1566
473 C A -2.2623
474 Q A -2.2943
475 S A -1.3810
476 S A -0.6453
477 P A -0.0425
478 C A 0.3571
479 V A 0.6277
480 N A -0.6961
481 G A -0.2580
482 G A 0.3985
483 V A 1.2841
484 C A -0.3017
485 K A -2.1907
486 D A -3.6185
487 R A -2.9093
488 V A -0.6969
489 N A -1.5648
490 G A -1.5222
491 F A -1.6313
492 S A -0.8185
493 C A 0.2416
494 T A 0.4020
495 C A 0.3742
496 P A -0.3095
497 S A -0.9054
498 G A -1.7823
499 F A -0.9422
500 S A -0.5610
501 G A -0.4717
502 S A -0.1994
503 T A 0.0971
504 C A 0.0000
505 Q A -0.9211
506 L A -0.2257
507 D A -2.4485
508 V A -1.9049
509 D A -2.9832
510 E A -2.8802
511 C A -1.8222
512 A A -1.0066
513 S A -0.7059
514 T A -0.9972
515 P A -0.8500
516 C A 0.0000
517 R A -3.1208
518 N A -2.5477
519 G A -2.1356
520 A A -2.7283
521 K A -2.9126
522 C A -2.2118
523 V A -2.1561
524 D A -3.5916
525 Q A -3.2601
526 P A -2.6019
527 D A -3.0079
528 G A -2.3794
529 Y A -2.3401
530 E A -2.6960
531 C A -2.4055
532 R A -3.0615
533 C A -2.7186
534 A A -1.9686
535 E A -1.7688
536 G A 0.0000
537 F A -2.1143
538 E A -2.7516
539 G A -1.9233
540 T A -1.3830
541 L A -1.6733
542 C A 0.0000
543 D A -3.4280
544 R A -3.3089
545 N A -2.2394
546 V A -1.6264
547 D A -2.5505
548 D A -1.9068
549 C A -2.0843
550 S A -1.7703
551 P A -1.5872
552 D A -2.8109
553 P A -1.7336
554 C A -2.1017
555 H A -2.5306
556 H A -2.0627
557 G A -1.8901
558 R A -2.3734
559 C A -1.6080
560 V A -0.8315
561 D A -1.8855
562 G A -0.1537
563 I A 0.8431
564 A A -0.0940
565 S A -0.1512
566 F A -0.5035
567 S A -0.5785
568 C A -1.1281
569 A A -0.5379
570 C A -1.0182
571 A A -0.8990
572 P A -0.7487
573 G A -1.0992
574 Y A -1.1928
575 T A -1.1008
576 G A -1.3231
577 T A -1.0253
578 R A -2.3330
579 C A 0.0000
580 E A -2.7578
581 S A -1.8890
582 Q A -1.6789
583 V A -1.7270
584 D A -2.5041
585 E A -2.7723
586 C A -2.5254
587 R A -3.0426
588 S A -2.0001
589 Q A -2.5593
590 P A -1.5255
591 C A -1.8105
592 R A -2.8238
593 H A -1.9690
594 G A -2.2137
595 G A -2.2868
596 K A -2.8082
597 C A 0.0000
598 L A -1.0167
599 D A -2.0126
600 L A -0.5161
601 V A -0.1660
602 D A -2.2865
603 K A -2.0972
604 Y A -0.6325
605 L A 0.4206
606 C A -0.8563
607 R A -2.0201
608 C A -1.2367
609 P A -1.2069
610 S A -0.4882
611 G A -0.8115
612 T A 0.0000
613 T A 0.1979
614 G A 0.4130
615 V A 1.4638
616 N A -0.4380
617 C A 0.0000
618 E A -0.6336
619 V A 0.5159
620 N A -0.6314
621 I A -0.4946
622 D A -2.3281
623 D A -2.8779
624 C A -2.0463
625 A A -1.1023
626 S A -1.1906
627 N A -1.2447
628 P A -0.4406
629 C A -0.0373
630 T A 0.4108
631 F A 0.9889
632 G A 0.5621
633 V A 1.1750
634 C A -0.6732
635 R A -2.7308
636 D A -2.7129
637 G A -2.0080
638 I A -0.5583
639 N A -2.0864
640 R A -3.0277
641 Y A -2.7904
642 D A -2.3487
643 C A 0.0000
644 V A 0.5210
645 C A 0.4180
646 Q A -0.7846
647 P A -1.3239
648 G A -2.0087
649 F A -0.7547
650 T A 0.1910
651 G A 0.2441
652 P A -0.1463
653 L A 0.6222
654 C A 0.0000
655 N A -0.3694
656 V A 0.6059
657 E A -1.7312
658 I A -1.3029
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2243 P A -0.1783
2244 Y A 1.8215
2245 L A 2.1303
2246 T A 0.8214
2247 P A -0.1541
2248 S A -0.9050
2249 P A -1.5285
2250 E A -2.1787
2251 S A -1.7352
2252 P A -1.9331
2253 E A -2.2740
2254 H A -1.4719
2255 W A 0.2537
2256 A A 0.2879
2257 S A -0.1535
2258 P A -0.5244
2259 S A -0.5993
2260 P A -0.6160
2261 P A -0.2446
2262 S A 0.1285
2263 L A 0.9643
2264 S A -0.0636
2265 D A -1.1850
2266 W A -0.1517
2267 S A -1.0924
2268 E A -1.9598
2269 S A -1.2834
2270 T A -0.8461
2271 P A -0.5098
2272 S A -0.4954
2273 P A -0.4112
2274 A A -0.1759
2275 T A -0.1730
2276 A A -0.1359
2277 T A -0.2789
2278 G A -0.2315
2279 A A 0.3575
2280 M A 0.9958
2281 A A 0.5889
2282 T A 0.1393
2283 T A -0.2356
2284 T A -0.2155
2285 G A -0.1387
2286 A A 0.5445
2287 L A 1.2244
2288 P A 0.2692
2289 A A -0.2265
2290 Q A -0.8307
2291 P A 0.0429
2292 L A 1.3902
2293 P A 1.0253
2294 L A 2.0675
2295 S A 1.6238
2296 V A 1.8240
2297 P A 0.5977
2298 S A 0.3089
2299 S A 0.5665
2300 L A 1.1686
2301 A A 0.3210
2302 Q A -1.0688
2303 A A -1.1990
2304 Q A -1.5927
2305 T A -0.9455
2306 Q A -0.8475
2307 L A 0.4831
2308 G A -0.2418
2309 P A -0.8079
2310 Q A -1.9480
2311 P A -1.5014
2312 E A -1.2937
2313 V A 0.5038
2314 T A -0.1466
2315 P A -1.2327
2316 K A -2.8341
2317 R A -2.8231
2318 Q A -1.3085
2319 V A 1.5158
2320 L A 1.9797
2321 A A 1.1702
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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 -0.0796 7.4402 View CSV PDB
4.5 -0.163 7.4402 View CSV PDB
5.0 -0.2646 7.4402 View CSV PDB
5.5 -0.37 7.4402 View CSV PDB
6.0 -0.4664 7.4402 View CSV PDB
6.5 -0.5459 7.4402 View CSV PDB
7.0 -0.6084 7.4402 View CSV PDB
7.5 -0.6591 7.4402 View CSV PDB
8.0 -0.7018 7.4402 View CSV PDB
8.5 -0.7352 7.4402 View CSV PDB
9.0 -0.7557 7.4402 View CSV PDB