Project name: G739K

Status: done

Started: 2026-05-14 06:17:58
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACKSQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:45)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:45)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:23)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/f4305b6a408430e/tmp/folded.pdb                (00:33:23)
[INFO]       Main:     Simulation completed successfully.                                          (01:15:51)
Show buried residues

Minimal score value
-4.8748
Maximal score value
5.6018
Average score
-0.7536
Total score value
-1749.1906

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 0.7151
2 G A -0.1874
3 P A -0.6600
4 G A -1.0602
5 A A -1.5436
6 R A -2.9076
7 G A -2.9344
8 R A -4.0459
9 R A -4.6590
10 R A -4.7694
11 R A -4.8748
12 R A -4.2374
13 R A -3.3160
14 P A -1.4151
15 M A -0.0743
16 S A -0.2154
17 P A -0.3658
18 P A -0.5049
19 P A -0.6963
20 P A -0.7042
21 P A -0.3687
22 P A -0.3475
23 P A -0.1383
24 V A 0.8842
25 R A -0.6106
26 A A 0.5815
27 L A 1.8303
28 P A 1.7781
29 L A 3.3994
30 L A 4.0005
31 L A 4.0893
32 L A 3.8058
33 L A 2.9388
34 A A 1.1955
35 G A 0.1131
36 P A -0.4458
37 G A -0.6598
38 A A -0.3441
39 A A -0.9832
40 A A -1.1128
41 P A -0.6503
42 P A -0.7769
43 C A -0.5307
44 L A 0.4222
45 D A -1.2900
46 G A -0.9208
47 S A -1.0213
48 P A -0.9246
49 C A -1.1020
50 A A -1.2231
51 N A -1.6160
52 G A -1.2345
53 G A 0.0000
54 R A -1.5710
55 C A 0.0000
56 T A -0.5545
57 Q A -1.3005
58 L A -0.9478
59 P A -1.1385
60 S A -1.6693
61 R A -2.8860
62 E A -2.8014
63 A A -1.6071
64 A A -1.0111
65 C A -0.5719
66 L A 0.6381
67 C A -0.0412
68 P A -0.1984
69 P A -0.4522
70 G A -1.0321
71 W A -1.0204
72 V A -0.5555
73 G A -0.8104
74 E A -1.7490
75 R A -1.5065
76 C A 0.0000
77 Q A -1.6077
78 L A -1.4438
79 E A -2.3481
80 D A -1.6625
81 P A -1.4284
82 C A -1.0190
83 H A -1.6151
84 S A -1.1496
85 G A -0.9039
86 P A -0.6515
87 C A -0.8891
88 A A -0.6358
89 G A -1.0235
90 R A -1.6415
91 G A -1.0968
92 V A 0.4435
93 C A -0.3114
94 Q A -0.8283
95 S A -0.5625
96 S A -0.0581
97 V A 0.7602
98 V A 1.6049
99 A A 0.6463
100 G A -0.1846
101 T A -0.1119
102 A A 0.0000
103 R A -1.4600
104 F A -0.6449
105 S A -0.9166
106 C A -1.0361
107 R A -1.7822
108 C A -1.1315
109 P A -1.2224
110 R A -1.7472
111 G A -0.3449
112 F A -0.3517
113 R A -0.7397
114 G A -0.7268
115 P A -0.9599
116 D A -1.1285
117 C A 0.0000
118 S A -0.4722
119 L A 0.2531
120 P A -0.1503
121 D A -0.1632
122 P A 0.0967
123 C A 0.2695
124 L A 0.7959
125 S A 0.2871
126 S A -0.0903
127 P A -0.3829
128 C A -1.1563
129 A A -1.4846
130 H A -1.6327
131 G A -1.2571
132 A A -1.5512
133 R A -1.8477
134 C A -0.2595
135 S A -0.1795
136 V A 0.0445
137 G A -0.7005
138 P A -1.2401
139 D A -2.2771
140 G A -1.5174
141 R A -1.9969
142 F A -0.6054
143 L A -0.1989
144 C A -0.8443
145 S A -0.9703
146 C A -1.3080
147 P A -0.7971
148 P A -0.4847
149 G A -0.8474
150 Y A -1.7613
151 Q A -2.3914
152 G A -2.4498
153 R A -2.4487
154 S A -1.9345
155 C A 0.0000
156 R A -2.8895
157 S A -2.2176
158 D A -1.7886
159 V A -1.1493
160 D A -1.1734
161 E A -1.4629
162 C A -1.4858
163 R A -1.8018
164 V A 0.0829
165 G A -1.0527
166 E A -2.3300
167 P A -1.7212
168 C A 0.0000
169 R A -3.0284
170 H A -2.1611
171 G A -1.7579
172 G A -1.7648
173 T A -1.2885
174 C A -1.4625
175 L A -0.6695
176 N A -1.1567
177 T A -0.7794
178 P A -0.9245
179 G A -1.0597
180 S A -0.8052
181 F A -0.9600
182 R A -1.8863
183 C A -1.6520
184 Q A -1.5474
185 C A -1.2998
186 P A -0.6416
187 A A 0.1479
188 G A 0.0331
189 Y A -0.6166
190 T A -0.7801
191 G A -1.1922
192 P A -1.1530
193 L A -1.4300
194 C A 0.0000
195 E A -1.9003
196 N A -1.6390
197 P A -0.6036
198 A A 0.1793
199 V A 0.7213
200 P A -0.2435
201 C A -0.3708
202 A A 0.1366
203 P A -0.0537
204 S A -0.7433
205 P A -1.1054
206 C A -2.0855
207 R A -2.8002
208 N A -1.8798
209 G A -1.2933
210 G A -1.6188
211 T A -1.1900
212 C A -1.8489
213 R A -2.9283
214 Q A -2.4377
215 S A -1.7769
216 G A -1.3218
217 D A -1.2588
218 L A 0.4831
219 T A -0.6206
220 Y A -1.6292
221 D A -2.7992
222 C A 0.0000
223 A A -0.9150
224 C A -0.8163
225 L A 0.1682
226 P A -0.0741
227 G A -0.3889
228 F A -1.0145
229 E A -2.0547
230 G A -1.8575
231 Q A -2.3342
232 N A -2.2553
233 C A 0.0000
234 E A -1.9362
235 V A -0.7502
236 N A -0.7620
237 V A -0.7974
238 D A -1.6491
239 D A -1.6187
240 C A -1.5161
241 P A -1.3922
242 G A -1.3074
243 H A -1.5818
244 R A -2.0054
245 C A -0.9763
246 L A 0.0537
247 N A -0.6997
248 G A -0.6179
249 G A -0.8070
250 T A -0.6128
251 C A -0.5791
252 V A -0.2271
253 D A -0.9684
254 G A -0.3050
255 V A 0.6252
256 N A -0.8641
257 T A -0.7623
258 Y A -1.2767
259 N A -1.7439
260 C A -1.2979
261 Q A -1.3634
262 C A -1.1403
263 P A -0.6524
264 P A -0.7722
265 E A -1.2206
266 W A -1.1643
267 T A -1.5481
268 G A -1.5212
269 Q A -1.9146
270 F A -1.3583
271 C A 0.0000
272 T A -1.2249
273 E A -2.1069
274 D A -1.3688
275 V A -1.0304
276 D A -1.2945
277 E A 0.0000
278 C A -0.8000
279 Q A -1.1403
280 L A -0.0419
281 Q A -1.4584
282 P A -1.4289
283 N A -2.0923
284 A A -1.4059
285 C A 0.0000
286 H A -1.9052
287 N A -1.6393
288 G A -0.8686
289 G A -0.0478
290 T A 0.7597
291 C A 0.4512
292 F A 1.5271
293 N A -0.1449
294 T A 0.3344
295 L A 0.6646
296 G A -0.4557
297 G A -0.2555
298 H A -0.4435
299 S A 0.1363
300 C A 0.6875
301 V A 1.9799
302 C A 0.4976
303 V A 0.6149
304 N A -0.4119
305 G A 0.0000
306 W A -0.6974
307 T A -0.9113
308 G A -1.3448
309 E A -2.0132
310 S A -1.4739
311 C A 0.0000
312 S A -1.6675
313 Q A -2.0624
314 N A -1.6876
315 I A -0.8600
316 D A -1.8134
317 D A -0.9537
318 C A -0.3473
319 A A -0.2640
320 T A 0.2588
321 A A 0.7403
322 V A 1.8328
323 C A 1.1408
324 F A 0.4239
325 H A -1.0702
326 G A -0.6382
327 A A 0.0148
328 T A 0.0727
329 C A 0.1486
330 H A -0.7456
331 D A -1.0307
332 R A -0.7895
333 V A -0.3459
334 A A -0.2519
335 S A 0.0000
336 F A 0.1675
337 Y A 0.4614
338 C A 0.0000
339 A A 0.3154
340 C A 0.2437
341 P A 0.1434
342 M A 0.8079
343 G A -0.1637
344 K A -1.1196
345 T A -0.9404
346 G A 0.0000
347 L A 0.7931
348 L A 0.8556
349 C A 0.0000
350 H A -1.0338
351 L A -1.5427
352 D A -2.5059
353 D A -1.6469
354 A A -1.3422
355 C A -0.5109
356 V A 0.5772
357 S A -0.2162
358 N A -1.1184
359 P A -1.1471
360 C A -1.3712
361 H A -2.2186
362 E A -2.8970
363 D A -2.2308
364 A A -0.9152
365 I A 0.9125
366 C A -0.1759
367 D A -1.0880
368 T A 0.0000
369 N A -1.1783
370 P A -0.5302
371 V A 0.4836
372 N A -1.2896
373 G A -1.9864
374 R A -2.4781
375 A A -1.4699
376 I A -0.3432
377 C A -0.3672
378 T A 0.3138
379 C A -0.3708
380 P A 0.0000
381 P A -0.4432
382 G A -0.7677
383 F A -1.4849
384 T A -1.2281
385 G A -1.3899
386 G A -1.0486
387 A A -1.3812
388 C A 0.0000
389 D A -2.9415
390 Q A -2.6124
391 D A -2.0250
392 V A -1.0303
393 D A -1.3451
394 E A -0.5815
395 C A -0.5237
396 S A -0.4634
397 I A -0.0174
398 G A -0.8566
399 A A -1.9736
400 N A -1.9673
401 P A -1.2324
402 C A 0.0000
403 E A -2.4354
404 H A -1.4571
405 L A -0.1767
406 G A 0.0000
407 R A -2.1200
408 C A 0.0000
409 V A 0.1126
410 N A -0.4397
411 T A -0.4535
412 Q A -1.7320
413 G A -1.4915
414 S A -0.3094
415 F A 0.2962
416 L A 0.5993
417 C A -0.9658
418 Q A -1.5461
419 C A -1.8446
420 G A -1.3203
421 R A -1.9738
422 G A 0.0000
423 Y A -1.4474
424 T A -1.6168
425 G A -1.2962
426 P A -1.0984
427 R A -2.3416
428 C A 0.0000
429 E A -2.3006
430 T A -1.8580
431 D A -2.0138
432 V A -0.9446
433 N A -0.8336
434 E A -0.9192
435 C A -0.2090
436 L A 0.9260
437 S A 0.0654
438 G A -0.5719
439 P A -0.4018
440 C A -0.9172
441 R A -2.2731
442 N A -2.0663
443 Q A -1.9398
444 A A -0.9061
445 T A -0.3872
446 C A -0.2822
447 L A 0.0000
448 D A -0.7198
449 R A -0.6041
450 I A 0.2681
451 G A 0.0000
452 Q A -1.2265
453 F A -0.5683
454 T A -0.2607
455 C A 0.0000
456 I A 0.1041
457 C A -0.0889
458 M A 0.0671
459 A A 0.2982
460 G A 0.0000
461 F A -0.3070
462 T A -0.1338
463 G A -0.1113
464 T A 0.1463
465 Y A 0.1611
466 C A 0.0000
467 E A -1.0122
468 V A -0.2270
469 D A -1.6192
470 I A -1.2093
471 D A -2.6405
472 E A -2.6468
473 C A -1.9135
474 Q A -2.0259
475 S A -1.5010
476 S A -0.4892
477 P A -0.1838
478 C A 0.2064
479 V A 0.5455
480 N A -0.7067
481 G A -0.2466
482 G A 0.3176
483 V A 1.2143
484 C A -0.5059
485 K A -2.2127
486 D A -2.9296
487 R A -2.5545
488 V A -0.3208
489 N A -1.3101
490 G A -1.3168
491 F A -1.3979
492 S A -0.7609
493 C A 0.1602
494 T A 0.2576
495 C A 0.3403
496 P A -0.3476
497 S A -0.9745
498 G A -1.9711
499 F A -1.0323
500 S A -0.6007
501 G A -0.5879
502 S A -0.2566
503 T A 0.0246
504 C A 0.0000
505 Q A -0.9312
506 L A -0.1969
507 D A -2.4660
508 V A -1.8848
509 D A -2.8740
510 E A -2.7732
511 C A -1.7046
512 A A -1.0189
513 S A -0.7078
514 T A -0.8989
515 P A -0.7729
516 C A 0.0000
517 R A -3.1266
518 N A -3.0997
519 G A -2.2238
520 A A -2.8190
521 K A -2.9524
522 C A -2.2126
523 V A -1.8788
524 D A -3.3449
525 Q A -2.9422
526 P A -2.6241
527 D A -2.9566
528 G A -2.1956
529 Y A -2.0285
530 E A -2.1943
531 C A -2.1669
532 R A -2.7585
533 C A -2.7617
534 A A -1.9767
535 E A -1.7106
536 G A -1.1756
537 F A -2.4348
538 E A -2.8055
539 G A -1.9331
540 T A -1.2813
541 L A -1.6286
542 C A 0.0000
543 D A -3.6118
544 R A -3.8514
545 N A -2.9926
546 V A -1.8355
547 D A -2.5491
548 D A -1.7506
549 C A -1.8936
550 S A -1.7443
551 P A -1.5963
552 D A -2.7473
553 P A -1.9429
554 C A 0.0000
555 H A -2.5251
556 H A -1.9926
557 G A -1.7941
558 R A -2.2098
559 C A -1.2658
560 V A -0.2078
561 D A -1.6025
562 G A -0.0939
563 I A 0.8479
564 A A -0.2526
565 S A -0.0678
566 F A -0.2373
567 S A -0.3325
568 C A -0.9526
569 A A -0.4708
570 C A -0.9243
571 A A -0.5581
572 P A -0.3577
573 G A -0.7375
574 Y A -1.0639
575 T A -1.1035
576 G A -1.4421
577 T A -1.1213
578 R A -2.4123
579 C A 0.0000
580 E A -2.8663
581 S A -2.0041
582 Q A -1.6132
583 V A -1.4213
584 D A -2.7933
585 E A -2.3739
586 C A 0.0000
587 R A -3.0835
588 S A -2.0402
589 Q A -2.7585
590 P A -1.4528
591 C A 0.0000
592 R A -2.8979
593 H A -1.7595
594 G A -2.0135
595 G A -2.2539
596 K A -2.8194
597 C A 0.0000
598 L A -0.8648
599 D A -1.7804
600 L A -0.1830
601 V A 0.0531
602 D A -2.0300
603 K A -1.7446
604 Y A -0.3971
605 L A 0.6971
606 C A -0.8007
607 R A -2.0287
608 C A -1.2221
609 P A -1.3254
610 S A -0.7681
611 G A -0.8795
612 T A 0.0000
613 T A -0.0144
614 G A 0.1967
615 V A 1.3254
616 N A -0.5429
617 C A 0.0000
618 E A -0.8047
619 V A 0.4597
620 N A -0.8954
621 I A -0.4546
622 D A -2.3284
623 D A -2.8365
624 C A -2.0129
625 A A -1.0568
626 S A -1.1616
627 N A -1.2515
628 P A -0.4235
629 C A -0.0145
630 T A 0.4038
631 F A 0.9882
632 G A 0.5842
633 V A 1.1279
634 C A -0.5009
635 R A -2.7307
636 D A -2.7938
637 G A -2.1713
638 I A -0.8708
639 N A -2.2240
640 R A -3.1238
641 Y A -2.7832
642 D A -2.3093
643 C A -0.3863
644 V A 0.4501
645 C A 0.3016
646 Q A -1.1245
647 P A -1.5604
648 G A 0.0000
649 F A -0.9564
650 T A -0.1380
651 G A -0.0012
652 P A -0.1738
653 L A 0.4626
654 C A 0.0000
655 N A -0.4825
656 V A 0.1576
657 E A -1.8389
658 I A -1.2535
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1998 R A -1.6645
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2000 I A -1.5505
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2244 Y A 1.5069
2245 L A 2.0249
2246 T A 0.8378
2247 P A -0.1251
2248 S A -0.7241
2249 P A -1.4102
2250 E A -2.3883
2251 S A -1.9567
2252 P A -1.8007
2253 E A -2.4541
2254 H A -1.4629
2255 W A 0.1923
2256 A A -0.0234
2257 S A -0.1617
2258 P A -0.4007
2259 S A -0.5907
2260 P A -0.4679
2261 P A -0.2047
2262 S A 0.0808
2263 L A 0.9581
2264 S A -0.0933
2265 D A -1.0142
2266 W A -0.1173
2267 S A -0.9716
2268 E A -1.7890
2269 S A -1.3268
2270 T A -0.7966
2271 P A -0.5005
2272 S A -0.4773
2273 P A -0.4134
2274 A A -0.1305
2275 T A -0.0852
2276 A A -0.1227
2277 T A -0.2761
2278 G A -0.2454
2279 A A 0.3479
2280 M A 1.0040
2281 A A 0.6200
2282 T A 0.1531
2283 T A -0.2389
2284 T A -0.3503
2285 G A -0.1674
2286 A A 0.5103
2287 L A 1.3540
2288 P A 0.2767
2289 A A -0.4503
2290 Q A -1.0189
2291 P A -0.1350
2292 L A 1.3494
2293 P A 1.1152
2294 L A 2.0140
2295 S A 1.4106
2296 V A 1.8143
2297 P A 0.4274
2298 S A 0.2688
2299 S A 0.5066
2300 L A 1.1476
2301 A A 0.1180
2302 Q A -1.0685
2303 A A -1.1918
2304 Q A -1.7138
2305 T A -0.8969
2306 Q A -0.7131
2307 L A 0.5823
2308 G A -0.3733
2309 P A -0.8353
2310 Q A -1.9757
2311 P A -1.4163
2312 E A -1.3331
2313 V A 0.6950
2314 T A -0.0802
2315 P A -1.3763
2316 K A -2.8723
2317 R A -2.8890
2318 Q A -1.2781
2319 V A 1.2974
2320 L A 2.1732
2321 A A 1.2119
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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 -0.0692 6.9672 View CSV PDB
4.5 -0.1515 6.9672 View CSV PDB
5.0 -0.2517 6.9672 View CSV PDB
5.5 -0.3556 6.9672 View CSV PDB
6.0 -0.4507 6.9672 View CSV PDB
6.5 -0.5295 6.9672 View CSV PDB
7.0 -0.5915 6.9672 View CSV PDB
7.5 -0.6421 6.9672 View CSV PDB
8.0 -0.6848 6.9672 View CSV PDB
8.5 -0.7182 6.9672 View CSV PDB
9.0 -0.7384 6.9672 View CSV PDB