Project name: V237M_4D_5

Status: done

Started: 2026-06-01 06:29:05
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNMDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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.  (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:21)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:19:05)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/b4c81ddab3b8cf6/tmp/folded.pdb                (00:19:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:40:14)
Show buried residues

Minimal score value
-2.5265
Maximal score value
2.3913
Average score
-0.279
Total score value
-647.4747

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 0.9681
2 G A -0.3198
3 P A -0.4242
4 G A -0.5020
5 A A -0.3586
6 R A -1.9174
7 G A -1.1229
8 R A -2.2581
9 R A -2.5128
10 R A -2.5214
11 R A -2.5176
12 R A -2.5104
13 R A -2.2237
14 P A -0.3979
15 M A 0.9677
16 S A -0.0659
17 P A -0.3395
18 P A -0.3470
19 P A -0.3473
20 P A -0.3474
21 P A -0.3474
22 P A -0.3477
23 P A 0.0263
24 V A 1.3879
25 R A -1.5085
26 A A -0.0021
27 L A 1.5123
28 P A 0.3074
29 L A 1.7855
30 L A 2.1129
31 L A 2.1111
32 L A 2.1155
33 L A 1.8436
34 A A 0.2573
35 G A -0.5016
36 P A -0.4248
37 G A -0.5024
38 A A -0.0157
39 A A 0.0800
40 A A 0.0422
41 P A -0.1674
42 P A -0.1559
43 C A 0.3845
44 L A 1.2451
45 D A -1.5917
46 G A -0.8300
47 S A -0.2977
48 P A -0.0995
49 C A 0.0000
50 A A -0.1318
51 N A -0.9415
52 G A -0.6223
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1360
57 Q A -0.5089
58 L A 0.5989
59 P A -0.1556
60 S A -0.5852
61 R A -2.2158
62 E A -2.1545
63 A A -0.3907
64 A A 0.0308
65 C A 0.3761
66 L A 1.6083
67 C A 0.5142
68 P A -0.0691
69 P A -0.2774
70 G A -0.0769
71 W A 0.0824
72 V A 0.2832
73 G A -0.3678
74 E A -2.1320
75 R A -1.9874
76 C A 0.0000
77 Q A -0.4292
78 L A -0.1737
79 E A -1.7846
80 D A -0.5877
81 P A -0.0721
82 C A -0.0740
83 H A -1.0083
84 S A -0.4767
85 G A -0.5154
86 P A -0.1312
87 C A -0.0154
88 A A 0.0022
89 G A -0.5400
90 R A -1.8939
91 G A -0.0386
92 V A 1.7828
93 C A 0.3735
94 Q A -0.4351
95 S A -0.0900
96 S A -0.0655
97 V A 1.0662
98 V A 1.8652
99 A A 0.2872
100 G A -0.4657
101 T A -0.1377
102 A A -0.2378
103 R A -1.7147
104 F A 0.2948
105 S A -0.0685
106 C A -0.2784
107 R A -1.7843
108 C A -0.1285
109 P A -0.3487
110 R A -1.8634
111 G A -0.2609
112 F A 0.7258
113 R A -0.2825
114 G A -0.2738
115 P A -0.4050
116 D A -0.7193
117 C A 0.0000
118 S A -0.0380
119 L A 0.7111
120 P A -0.0485
121 D A -0.3174
122 P A -0.0761
123 C A 0.3064
124 L A 1.2029
125 S A -0.0293
126 S A -0.2598
127 P A -0.0743
128 C A 0.0708
129 A A -0.1178
130 H A -0.8655
131 G A -0.6060
132 A A -0.3905
133 R A -1.8121
134 C A -0.1910
135 S A 0.0208
136 V A 0.6304
137 G A 0.0173
138 P A -0.5870
139 D A -1.8566
140 G A -0.7722
141 R A -1.8078
142 F A 0.2734
143 L A 1.3017
144 C A 0.2822
145 S A -0.1528
146 C A 0.1988
147 P A -0.0723
148 P A -0.2808
149 G A -0.1019
150 Y A -0.1403
151 Q A -1.2543
152 G A -1.0215
153 R A -1.9381
154 S A -0.3736
155 C A 0.0000
156 R A -1.8831
157 S A -0.6508
158 D A -0.4988
159 V A 0.1252
160 D A -0.5841
161 E A -1.0195
162 C A -0.3673
163 R A -1.4962
164 V A 1.3945
165 G A -0.2336
166 E A -1.8709
167 P A -0.3823
168 C A 0.0000
169 R A -1.9843
170 H A -1.2922
171 G A -0.6332
172 G A -0.1263
173 T A -0.0578
174 C A 0.2448
175 L A 0.5591
176 N A -0.3843
177 T A -0.1116
178 P A -0.2698
179 G A -0.1638
180 S A -0.1115
181 F A -0.0780
182 R A -1.7584
183 C A -0.4575
184 Q A -1.1422
185 C A -0.0351
186 P A -0.0613
187 A A 0.0120
188 G A -0.0570
189 Y A 0.3479
190 T A 0.0285
191 G A -0.2378
192 P A -0.2252
193 L A 0.3125
194 C A 0.0000
195 E A -1.0173
196 N A -1.4173
197 P A -0.4123
198 A A 0.2493
199 V A 1.3294
200 P A 0.2428
201 C A 0.1411
202 A A -0.0095
203 P A -0.2648
204 S A -0.1567
205 P A -0.0661
206 C A 0.0000
207 R A -1.9933
208 N A -1.2345
209 G A -0.6196
210 G A -0.1121
211 T A -0.0601
212 C A -0.2380
213 R A -2.0496
214 Q A -1.5176
215 S A -0.4064
216 G A -0.5336
217 D A -1.5398
218 L A 1.2143
219 T A 0.2855
220 Y A -0.0980
221 D A -1.6949
222 C A -0.2337
223 A A 0.0901
224 C A 0.4031
225 L A 0.8844
226 P A -0.0947
227 G A 0.0000
228 F A -0.1542
229 E A -1.6451
230 G A -0.8358
231 Q A -1.2927
232 N A -0.4152
233 C A 0.0000
234 E A -0.8625
235 V A 0.8064
236 N A -0.0788
237 M A 0.1507
238 D A -1.8506
239 D A -1.2127
240 C A -0.1176
241 P A -0.3244
242 G A -0.6002
243 H A -0.8994
244 R A -1.9184
245 C A -0.0337
246 L A 0.9479
247 N A -0.6835
248 G A -0.6178
249 G A -0.1175
250 T A -0.0619
251 C A 0.2901
252 V A 0.9937
253 D A -0.4584
254 G A 0.1380
255 V A 1.5255
256 N A -0.9613
257 T A -0.2373
258 Y A -0.0920
259 N A -1.2123
260 C A -0.3627
261 Q A -1.1514
262 C A -0.0696
263 P A -0.0726
264 P A -0.3671
265 E A -0.5809
266 W A -0.0032
267 T A -0.0569
268 G A -0.5388
269 Q A -1.2086
270 F A 0.0577
271 C A 0.0000
272 T A -0.4036
273 E A -1.9043
274 D A -0.6735
275 V A 0.0203
276 D A -0.4812
277 E A -0.3236
278 C A -0.1451
279 Q A -0.8954
280 L A 1.1108
281 Q A -0.9615
282 P A -0.7009
283 N A -1.3180
284 A A -0.2228
285 C A 0.0000
286 H A -0.8217
287 N A -1.0035
288 G A -0.6206
289 G A -0.1281
290 T A -0.0444
291 C A 0.2995
292 F A 0.7936
293 N A -0.5178
294 T A 0.0670
295 L A 1.5048
296 G A 0.0949
297 G A -0.1836
298 H A -0.5387
299 S A -0.2450
300 C A 0.4047
301 V A 1.8255
302 C A 0.6910
303 V A 0.7996
304 N A -1.0891
305 G A 0.0000
306 W A 0.1237
307 T A -0.0336
308 G A -0.5358
309 E A -1.8663
310 S A -0.3831
311 C A 0.0000
312 S A -0.4032
313 Q A -1.2946
314 N A -0.3582
315 I A 0.6450
316 D A -1.3996
317 D A -0.7595
318 C A 0.0308
319 A A 0.0660
320 T A -0.0588
321 A A 0.3368
322 V A 1.7951
323 C A 0.6612
324 F A 0.8303
325 H A -0.8932
326 G A -0.6444
327 A A -0.0552
328 T A -0.0137
329 C A 0.1200
330 H A -0.2681
331 D A -1.1494
332 R A -1.7130
333 V A 1.2716
334 A A 0.3049
335 S A -0.2165
336 F A 0.4484
337 Y A 0.8053
338 C A 0.0000
339 A A 0.0640
340 C A 0.2643
341 P A 0.1503
342 M A 1.0151
343 G A -0.0494
344 K A -0.7837
345 T A -0.1159
346 G A 0.1736
347 L A 1.5952
348 L A 0.6345
349 C A 0.0000
350 H A -0.3910
351 L A -0.2086
352 D A -1.8873
353 D A -0.7981
354 A A -0.0404
355 C A 0.4458
356 V A 1.7564
357 S A -0.1158
358 N A -1.3297
359 P A -0.3199
360 C A 0.0214
361 H A -0.4936
362 E A -2.1765
363 D A -2.1194
364 A A 0.0000
365 I A 2.0451
366 C A 0.2299
367 D A -1.7573
368 T A 0.0000
369 N A -0.3044
370 P A 0.0102
371 V A 1.5252
372 N A -0.7914
373 G A -0.5807
374 R A -1.8503
375 A A -0.1051
376 I A 1.2583
377 C A 0.3266
378 T A -0.0173
379 C A 0.1818
380 P A -0.0365
381 P A -0.2687
382 G A -0.0430
383 F A 0.1321
384 T A -0.0564
385 G A -0.3510
386 G A -0.5106
387 A A -0.0595
388 C A 0.0000
389 D A -2.0093
390 Q A -1.6354
391 D A -0.7255
392 V A 0.0374
393 D A -0.8992
394 E A -0.7025
395 C A 0.0000
396 S A 0.2541
397 I A 1.4994
398 G A -0.1215
399 A A -0.0695
400 N A -0.2003
401 P A 0.0000
402 C A 0.0000
403 E A -1.8626
404 H A -0.5963
405 L A 1.1101
406 G A 0.0000
407 R A -1.2745
408 C A 0.0000
409 V A 0.5399
410 N A -0.2628
411 T A -0.2811
412 Q A -1.2177
413 G A -0.3366
414 S A -0.0937
415 F A 0.5622
416 L A 1.3116
417 C A 0.0830
418 Q A -1.2417
419 C A -0.0510
420 G A -0.5877
421 R A -1.9038
422 G A 0.0000
423 Y A -0.0505
424 T A -0.0354
425 G A -0.2019
426 P A -0.5554
427 R A -1.5743
428 C A 0.0000
429 E A -1.2649
430 T A -0.5878
431 D A -1.5713
432 V A 0.1009
433 N A -0.5635
434 E A -0.5249
435 C A 0.3005
436 L A 1.5273
437 S A -0.0158
438 G A -0.5129
439 P A -0.1122
440 C A -0.1491
441 R A -1.9382
442 N A -1.1507
443 Q A -1.3042
444 A A -0.2007
445 T A -0.0421
446 C A 0.2706
447 L A 0.6508
448 D A -0.7505
449 R A -1.5580
450 I A 1.6645
451 G A -0.1326
452 Q A -1.1652
453 F A -0.0725
454 T A 0.0270
455 C A 0.4574
456 I A 2.0639
457 C A 0.6515
458 M A 0.4332
459 A A 0.1259
460 G A 0.0000
461 F A -0.0458
462 T A -0.0493
463 G A -0.2514
464 T A 0.0492
465 Y A 0.8876
466 C A 0.0000
467 E A -0.4738
468 V A 0.6666
469 D A -1.4095
470 I A 0.1725
471 D A -1.5418
472 E A -1.2016
473 C A -0.2910
474 Q A -1.2201
475 S A -0.4697
476 S A -0.2586
477 P A -0.0670
478 C A 0.2444
479 V A 0.8508
480 N A -0.7757
481 G A -0.6350
482 G A 0.2038
483 V A 1.7880
484 C A 0.2686
485 K A -1.4634
486 D A -2.2589
487 R A -1.8420
488 V A 1.2018
489 N A -0.9676
490 G A -0.2207
491 F A 0.3684
492 S A 0.0844
493 C A 0.0990
494 T A 0.0023
495 C A 0.1512
496 P A -0.1096
497 S A -0.2435
498 G A -0.3775
499 F A 0.0173
500 S A -0.1060
501 G A -0.4106
502 S A -0.2796
503 T A -0.0422
504 C A 0.0000
505 Q A -0.9765
506 L A 0.6490
507 D A -1.4226
508 V A -0.0746
509 D A -1.8352
510 E A -1.2482
511 C A -0.0655
512 A A 0.0367
513 S A -0.2149
514 T A -0.1153
515 P A -0.0484
516 C A 0.0000
517 R A -2.0303
518 N A -1.4417
519 G A -0.6476
520 A A -0.3580
521 K A -1.6838
522 C A -0.1303
523 V A 0.2399
524 D A -1.5191
525 Q A -1.1829
526 P A -0.7354
527 D A -1.8666
528 G A -0.3331
529 Y A 0.0973
530 E A -1.2134
531 C A -0.4919
532 R A -1.7824
533 C A -0.0929
534 A A -0.2658
535 E A -1.8270
536 G A -0.3285
537 F A -0.0086
538 E A -1.4620
539 G A -0.6642
540 T A -0.0827
541 L A 0.3131
542 C A 0.0000
543 D A -1.9870
544 R A -2.1983
545 N A -0.4592
546 V A 0.4855
547 D A -1.4467
548 D A -0.9784
549 C A -0.2495
550 S A -0.4404
551 P A -0.6341
552 D A -1.8488
553 P A -0.3634
554 C A 0.0000
555 H A -1.0672
556 H A -0.6311
557 G A -0.5162
558 R A -1.8535
559 C A -0.0058
560 V A 1.0782
561 D A -0.6255
562 G A 0.0247
563 I A 1.9909
564 A A 0.3619
565 S A -0.0618
566 F A 0.4458
567 S A -0.0787
568 C A 0.0811
569 A A 0.1179
570 C A 0.2804
571 A A 0.0300
572 P A -0.2639
573 G A -0.2971
574 Y A 0.0615
575 T A -0.0476
576 G A -0.2707
577 T A -0.3105
578 R A -1.1022
579 C A 0.0000
580 E A -1.1494
581 S A -0.5200
582 Q A -1.0326
583 V A 0.3227
584 D A -1.5719
585 E A -1.2068
586 C A 0.0000
587 R A -1.8838
588 S A -0.7720
589 Q A -1.2439
590 P A -0.2464
591 C A -0.2859
592 R A -1.7389
593 H A -0.6957
594 G A -0.5302
595 G A -0.4182
596 K A -1.7105
597 C A 0.0000
598 L A 0.0063
599 D A -1.5757
600 L A 0.5901
601 V A 1.5555
602 D A -1.7836
603 K A -1.9559
604 Y A 0.0992
605 L A 1.3669
606 C A -0.0183
607 R A -1.7830
608 C A -0.1056
609 P A -0.0827
610 S A -0.2427
611 G A -0.3206
612 T A 0.0000
613 T A -0.0909
614 G A 0.0875
615 V A 1.6789
616 N A 0.0496
617 C A 0.0000
618 E A -0.2845
619 V A 0.9765
620 N A -0.4554
621 I A 0.6270
622 D A -1.7280
623 D A -1.0996
624 C A -0.0519
625 A A 0.0355
626 S A -0.4307
627 N A -1.3201
628 P A -0.2625
629 C A 0.1450
630 T A 0.1223
631 F A 0.9020
632 G A 0.1779
633 V A 1.0906
634 C A 0.0000
635 R A -1.9703
636 D A -0.9686
637 G A -0.2475
638 I A 0.6990
639 N A -1.4536
640 R A -1.9889
641 Y A -0.1537
642 D A -1.3416
643 C A 0.0986
644 V A 1.5365
645 C A 0.1773
646 Q A -1.2283
647 P A -0.6764
648 G A -0.5203
649 F A 0.0734
650 T A -0.0099
651 G A -0.2071
652 P A -0.1449
653 L A 0.7288
654 C A 0.0000
655 N A -0.9999
656 V A 0.9429
657 E A -1.3261
658 I A 0.3731
659 N A -1.1439
660 E A -0.4737
661 C A 0.0746
662 A A 0.0393
663 S A -0.2415
664 S A -0.2613
665 P A -0.0733
666 C A 0.1243
667 G A -0.3617
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1950 N A -0.3111
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1953 E A -1.7322
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.5853
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1967 M A -0.0826
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1969 D A 0.0000
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1971 K A -0.8251
1972 E A -1.5438
1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.6964
1982 E A -1.4642
1983 G A -0.4090
1984 S A 0.0000
1985 Y A 0.0417
1986 E A -1.5458
1987 A A 0.0000
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1989 K A -1.3562
1990 L A -0.2236
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8139
1994 H A -0.4041
1995 F A 0.9155
1996 A A 0.0000
1997 N A -0.7384
1998 R A -0.7107
1999 E A -1.8086
2000 I A -0.0146
2001 T A -0.1464
2002 D A 0.0000
2003 H A -0.7140
2004 L A 1.0474
2005 D A -1.5872
2006 R A -0.6788
2007 L A 0.2754
2008 P A 0.0000
2009 R A -1.1069
2010 D A -1.2564
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.2295
2015 R A -1.4062
2016 L A 1.1735
2017 H A -0.1225
2018 Q A -1.3900
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2021 V A 0.0000
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2100 S A 0.0279
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2266 W A 0.7976
2267 S A -0.3172
2268 E A -1.9082
2269 S A -0.6447
2270 T A -0.1587
2271 P A -0.3078
2272 S A -0.3148
2273 P A -0.2895
2274 A A -0.0024
2275 T A -0.0451
2276 A A 0.0273
2277 T A -0.1874
2278 G A -0.4743
2279 A A 0.1664
2280 M A 1.0791
2281 A A 0.3094
2282 T A -0.0729
2283 T A -0.1020
2284 T A -0.1725
2285 G A -0.4633
2286 A A 0.2268
2287 L A 1.5055
2288 P A 0.0799
2289 A A -0.2821
2290 Q A -1.2323
2291 P A -0.1799
2292 L A 1.4470
2293 P A 0.3383
2294 L A 1.4501
2295 S A 0.4968
2296 V A 1.6837
2297 P A 0.0316
2298 S A -0.3103
2299 S A 0.1207
2300 L A 1.5073
2301 A A 0.0567
2302 Q A -1.1735
2303 A A -0.4432
2304 Q A -1.1979
2305 T A -0.5236
2306 Q A -0.8443
2307 L A 1.1791
2308 G A -0.2507
2309 P A -0.5957
2310 Q A -1.2968
2311 P A -0.9049
2312 E A -1.5528
2313 V A 1.4241
2314 T A 0.2652
2315 P A -0.6674
2316 K A -2.1011
2317 R A -2.3840
2318 Q A -1.1989
2319 V A 1.8274
2320 L A 1.8924
2321 A A 0.4306
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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 0.0035 4.9332 View CSV PDB
4.5 -0.0294 4.9332 View CSV PDB
5.0 -0.0694 4.9332 View CSV PDB
5.5 -0.1108 4.9332 View CSV PDB
6.0 -0.1485 4.9332 View CSV PDB
6.5 -0.1791 4.9332 View CSV PDB
7.0 -0.2024 4.9332 View CSV PDB
7.5 -0.2208 4.9332 View CSV PDB
8.0 -0.2359 4.9332 View CSV PDB
8.5 -0.2473 4.9332 View CSV PDB
9.0 -0.2535 4.9332 View CSV PDB