Project name: C340W

Status: done

Started: 2026-05-14 00:37:26
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCAWPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:42)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/2c3b89afd6ab8fd/tmp/folded.pdb                (00:30:42)
[INFO]       Main:     Simulation completed successfully.                                          (01:10:37)
Show buried residues

Minimal score value
-4.8485
Maximal score value
5.6796
Average score
-0.7632
Total score value
-1771.4842

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 0.7628
2 G A -0.1686
3 P A -0.6885
4 G A -1.2327
5 A A -1.4865
6 R A -2.7774
7 G A -3.0072
8 R A -4.0163
9 R A -4.6427
10 R A -4.8485
11 R A -4.7972
12 R A -4.2535
13 R A -3.2973
14 P A -1.4180
15 M A 0.0407
16 S A -0.2298
17 P A -0.3378
18 P A -0.5121
19 P A -0.6853
20 P A -0.6928
21 P A -0.3991
22 P A -0.3547
23 P A -0.0755
24 V A 0.8645
25 R A -0.6645
26 A A 0.6950
27 L A 2.0894
28 P A 1.9751
29 L A 3.6683
30 L A 4.1378
31 L A 4.0143
32 L A 3.7533
33 L A 3.1824
34 A A 1.5227
35 G A 0.3021
36 P A -0.2713
37 G A -0.6583
38 A A -0.3173
39 A A -0.7325
40 A A -0.7091
41 P A -0.2621
42 P A -0.8257
43 C A -0.3797
44 L A 0.5207
45 D A -1.2728
46 G A -0.9126
47 S A -1.1515
48 P A -1.2266
49 C A 0.0000
50 A A -1.6803
51 N A -1.8539
52 G A -1.4003
53 G A 0.0000
54 R A -1.7686
55 C A 0.0000
56 T A -0.9007
57 Q A -1.8331
58 L A -1.1663
59 P A -1.2388
60 S A -1.7425
61 R A -2.9922
62 E A -2.9090
63 A A -1.7124
64 A A -1.3314
65 C A -1.0593
66 L A 0.3916
67 C A -0.3051
68 P A -0.1823
69 P A -0.4175
70 G A -0.9787
71 W A -0.9507
72 V A -0.9949
73 G A -1.3115
74 E A -2.4889
75 R A -2.9704
76 C A 0.0000
77 Q A -2.2003
78 L A -1.7244
79 E A -2.3415
80 D A -1.6081
81 P A -1.3426
82 C A -0.9504
83 H A -1.5144
84 S A -1.1452
85 G A -0.8746
86 P A -0.3929
87 C A -0.8071
88 A A -0.5975
89 G A -1.0425
90 R A -1.9424
91 G A -1.1173
92 V A 0.3439
93 C A -0.2659
94 Q A -0.8041
95 S A -0.5132
96 S A -0.0971
97 V A 0.6754
98 V A 1.5239
99 A A 0.5921
100 G A -0.2293
101 T A -0.2285
102 A A 0.0000
103 R A -1.3473
104 F A -0.6445
105 S A -0.7708
106 C A -0.9121
107 R A -1.7341
108 C A -1.1101
109 P A -1.3046
110 R A -1.9062
111 G A -0.2412
112 F A -0.1780
113 R A -0.5677
114 G A -0.5864
115 P A -0.7875
116 D A -0.8940
117 C A 0.0000
118 S A -0.0865
119 L A 0.5650
120 P A 0.2076
121 D A -0.0917
122 P A 0.1615
123 C A 0.3743
124 L A 0.7003
125 S A 0.2591
126 S A -0.0946
127 P A -0.2948
128 C A -1.0738
129 A A -1.5021
130 H A -1.7144
131 G A -1.2895
132 A A 0.0000
133 R A -1.8021
134 C A -0.1679
135 S A -0.1005
136 V A 0.0472
137 G A 0.0000
138 P A -1.2331
139 D A -2.2878
140 G A -1.5772
141 R A -1.8840
142 F A -0.2706
143 L A 0.2044
144 C A -0.6485
145 S A -0.9261
146 C A -1.3926
147 P A -0.8906
148 P A -0.6018
149 G A -0.8965
150 Y A 0.0000
151 Q A -2.4223
152 G A -2.4787
153 R A -2.3692
154 S A -1.6721
155 C A 0.0000
156 R A -2.9370
157 S A -2.2678
158 D A -1.8727
159 V A -1.0817
160 D A -1.0350
161 E A -1.3623
162 C A -1.3382
163 R A -1.7401
164 V A 0.1489
165 G A -0.9988
166 E A -2.3245
167 P A -1.5154
168 C A -2.0457
169 R A -2.9488
170 H A -2.2557
171 G A -1.7407
172 G A -1.7725
173 T A -1.2314
174 C A -1.2728
175 L A -0.3367
176 N A -1.0644
177 T A 0.0000
178 P A -0.9556
179 G A -1.1020
180 S A -0.7713
181 F A -0.8301
182 R A -1.7876
183 C A -1.5850
184 Q A -1.3475
185 C A -1.3458
186 P A -0.6772
187 A A 0.1407
188 G A 0.0172
189 Y A -0.5128
190 T A -0.7863
191 G A -0.9876
192 P A -1.1095
193 L A -1.4466
194 C A 0.0000
195 E A -1.9978
196 N A -1.6846
197 P A -0.6149
198 A A 0.1792
199 V A 0.7774
200 P A -0.1771
201 C A -0.3107
202 A A 0.1779
203 P A -0.0354
204 S A -0.7055
205 P A -1.0180
206 C A -2.0988
207 R A -2.8736
208 N A -2.0319
209 G A -1.3423
210 G A -1.5281
211 T A -1.1645
212 C A -1.7882
213 R A -2.8722
214 Q A -2.3827
215 S A -1.7917
216 G A -1.3626
217 D A -1.3009
218 L A 0.4221
219 T A -0.6726
220 Y A -1.6469
221 D A -2.7463
222 C A -2.1058
223 A A -0.9108
224 C A -0.8325
225 L A 0.0325
226 P A -0.1234
227 G A -0.6078
228 F A -1.0969
229 E A -2.0118
230 G A -1.8378
231 Q A -2.3530
232 N A -2.3079
233 C A 0.0000
234 E A -2.0714
235 V A -0.7170
236 N A -0.6781
237 V A -0.7949
238 D A -1.7015
239 D A -1.8558
240 C A -1.5276
241 P A -1.3093
242 G A -1.3034
243 H A -1.4708
244 R A -2.0049
245 C A 0.0000
246 L A -0.0928
247 N A -0.8093
248 G A -0.6569
249 G A -0.7168
250 T A -0.4601
251 C A -0.4687
252 V A -0.3068
253 D A -0.8087
254 G A -0.4993
255 V A 0.0774
256 N A -1.0632
257 T A -0.8804
258 Y A -1.1864
259 N A -1.4428
260 C A -0.9413
261 Q A -0.8415
262 C A 0.0000
263 P A -0.5957
264 P A -0.6553
265 E A -1.2214
266 W A -1.2037
267 T A -1.1869
268 G A -1.2455
269 Q A -1.6763
270 F A -1.0579
271 C A 0.0000
272 T A -1.1231
273 E A -2.1716
274 D A -1.6841
275 V A 0.0000
276 D A -1.3677
277 E A -1.3034
278 C A -0.9288
279 Q A -1.2906
280 L A -0.9870
281 Q A -1.1672
282 P A -1.1372
283 N A -1.2202
284 A A -1.0011
285 C A 0.0000
286 H A -1.5076
287 N A -1.2694
288 G A -0.5203
289 G A 0.1266
290 T A 0.4871
291 C A 0.2227
292 F A 0.4739
293 N A -0.8517
294 T A 0.0746
295 L A 0.4930
296 G A -0.5550
297 G A -0.4482
298 H A -0.4621
299 S A 0.1797
300 C A 0.0000
301 V A 1.8945
302 C A 0.4112
303 V A 0.3903
304 N A 0.1923
305 G A 0.0000
306 W A -0.3938
307 T A -0.7997
308 G A -1.1301
309 E A -1.7956
310 S A -1.3485
311 C A 0.0000
312 S A -1.5091
313 Q A -1.9276
314 N A -1.3636
315 I A -0.6904
316 D A -2.0339
317 D A -1.2470
318 C A -0.7503
319 A A -0.3048
320 T A -0.0696
321 A A 0.5046
322 V A 1.3520
323 C A 0.8839
324 F A 0.3790
325 H A -0.7528
326 G A -0.4528
327 A A 0.0588
328 T A 0.1175
329 C A -0.2118
330 H A -1.5327
331 D A -1.7622
332 R A -1.8820
333 V A -0.5383
334 A A -0.4549
335 S A -0.5742
336 F A -0.5494
337 Y A 0.2090
338 C A 0.5987
339 A A 0.6381
340 W A 1.0312
341 P A 0.6757
342 M A 0.9769
343 G A 0.0705
344 K A -0.9409
345 T A -0.5423
346 G A -0.0597
347 L A 1.4147
348 L A 1.1528
349 C A 0.0000
350 H A -0.5807
351 L A -1.1668
352 D A -2.1484
353 D A -1.3123
354 A A -1.1013
355 C A -0.2789
356 V A 1.0500
357 S A 0.0092
358 N A -0.9396
359 P A -0.6710
360 C A -1.3461
361 H A -2.1918
362 E A -2.8787
363 D A -2.2090
364 A A -0.8982
365 I A 0.9322
366 C A -0.1663
367 D A -1.1556
368 T A 0.0000
369 N A -0.7306
370 P A -0.0250
371 V A 0.6254
372 N A -1.4016
373 G A -1.5518
374 R A -2.1508
375 A A -1.0222
376 I A -0.1120
377 C A -0.3079
378 T A 0.3044
379 C A -0.3366
380 P A 0.0000
381 P A -0.6350
382 G A 0.0000
383 F A -1.4685
384 T A -1.2097
385 G A -1.4301
386 G A -0.9989
387 A A -1.3294
388 C A 0.0000
389 D A -2.8101
390 Q A -2.5862
391 D A -1.9673
392 V A -0.9422
393 D A -0.8321
394 E A -0.2620
395 C A -0.1869
396 S A 0.1516
397 I A 1.2427
398 G A 0.1729
399 A A -0.4663
400 N A -1.4115
401 P A -0.9562
402 C A 0.0000
403 E A -1.9112
404 H A -1.1364
405 L A 0.1414
406 G A 0.0000
407 R A -2.0064
408 C A 0.0000
409 V A 0.0409
410 N A -0.5430
411 T A -0.5409
412 Q A -1.5457
413 G A -1.5021
414 S A -0.3982
415 F A -0.0150
416 L A 0.5812
417 C A -0.8059
418 Q A -1.4713
419 C A -1.4382
420 G A -1.2550
421 R A -1.8484
422 G A -1.1055
423 Y A -1.0023
424 T A -1.2279
425 G A -0.8950
426 P A -0.7626
427 R A -1.6480
428 C A 0.0000
429 E A -1.7180
430 T A -1.2349
431 D A -1.3671
432 V A -0.7561
433 N A -0.9205
434 E A -0.8785
435 C A -0.2363
436 L A 0.8186
437 S A 0.0639
438 G A -0.5886
439 P A -0.4178
440 C A -0.8310
441 R A -2.3727
442 N A -1.9322
443 Q A -1.8680
444 A A -0.6911
445 T A -0.0853
446 C A -0.0997
447 L A -0.2862
448 D A -1.1389
449 R A -1.5353
450 I A -0.0046
451 G A 0.0000
452 Q A -1.1687
453 F A -0.5923
454 T A -0.0913
455 C A 0.3947
456 I A 1.3087
457 C A 0.3695
458 M A 0.1821
459 A A 0.2749
460 G A 0.0000
461 F A -0.3128
462 T A -0.1065
463 G A -0.0946
464 T A 0.1699
465 Y A 0.1158
466 C A 0.0000
467 E A -1.1678
468 V A -0.3369
469 D A -1.7144
470 I A -1.3144
471 D A -2.8049
472 E A -2.7208
473 C A -1.9629
474 Q A -2.0806
475 S A -1.3107
476 S A -0.5051
477 P A -0.1714
478 C A 0.2366
479 V A 0.5349
480 N A -0.7256
481 G A -0.2378
482 G A 0.3223
483 V A 1.2091
484 C A -0.5190
485 K A -2.2293
486 D A -2.9718
487 R A -2.5723
488 V A -0.4276
489 N A -1.3385
490 G A -1.3205
491 F A -1.3895
492 S A -0.7481
493 C A 0.1806
494 T A 0.2676
495 C A 0.3396
496 P A -0.3553
497 S A -0.9973
498 G A -1.9382
499 F A -1.0698
500 S A -0.6427
501 G A -0.5460
502 S A -0.2494
503 T A 0.0315
504 C A 0.0000
505 Q A -1.0245
506 L A -0.4384
507 D A -2.5292
508 V A -1.8951
509 D A -2.8596
510 E A -2.7917
511 C A -1.7321
512 A A -1.0131
513 S A -0.7364
514 T A -0.9615
515 P A -1.0201
516 C A 0.0000
517 R A -3.0984
518 N A -2.4520
519 G A -2.1498
520 A A -2.7361
521 K A -2.9782
522 C A 0.0000
523 V A -2.0180
524 D A -3.1513
525 Q A -2.7018
526 P A -2.4488
527 D A -2.8633
528 G A -2.1603
529 Y A -2.0827
530 E A -2.4489
531 C A -2.3137
532 R A -2.8885
533 C A -2.7706
534 A A -1.8785
535 E A -1.7760
536 G A -1.2807
537 F A -2.3360
538 E A -3.0182
539 G A -1.9630
540 T A -1.2981
541 L A -1.4670
542 C A 0.0000
543 D A -3.5526
544 R A -3.7253
545 N A -2.6707
546 V A -1.8852
547 D A -2.6247
548 D A -1.8528
549 C A -2.0550
550 S A -1.7787
551 P A -1.6082
552 D A -2.8383
553 P A -1.9421
554 C A 0.0000
555 H A -2.5237
556 H A -1.9586
557 G A -1.8411
558 R A -2.3548
559 C A -1.5634
560 V A -0.7505
561 D A -1.8592
562 G A -0.1936
563 I A 0.8817
564 A A -0.2701
565 S A -0.1666
566 F A -0.4163
567 S A -0.5364
568 C A -1.2512
569 A A -0.4945
570 C A -0.8938
571 A A -0.7943
572 P A -0.4517
573 G A -0.9028
574 Y A -1.0706
575 T A -1.0092
576 G A -1.2381
577 T A -1.0049
578 R A -2.3167
579 C A 0.0000
580 E A -2.5411
581 S A -1.8179
582 Q A -1.7959
583 V A -1.6797
584 D A -2.7404
585 E A -2.4427
586 C A 0.0000
587 R A -3.0462
588 S A -1.9887
589 Q A -2.7438
590 P A -1.5059
591 C A 0.0000
592 R A -2.6237
593 H A -1.6286
594 G A -1.9921
595 G A -2.2640
596 K A -2.8462
597 C A 0.0000
598 L A -1.0128
599 D A -2.0685
600 L A -0.4110
601 V A -0.0646
602 D A -2.1336
603 K A -1.9159
604 Y A -0.6704
605 L A 0.3229
606 C A -0.9363
607 R A -1.8854
608 C A -1.2364
609 P A -1.1608
610 S A -0.5419
611 G A -0.4466
612 T A 0.0000
613 T A 0.0837
614 G A 0.2970
615 V A 1.3251
616 N A -0.4990
617 C A 0.0000
618 E A -0.6158
619 V A 0.7048
620 N A -0.3418
621 I A -0.2471
622 D A -2.0202
623 D A -2.2337
624 C A -1.8504
625 A A -0.9918
626 S A -1.0863
627 N A -1.1473
628 P A -0.4234
629 C A 0.1310
630 T A 0.4955
631 F A 1.2309
632 G A 0.8710
633 V A 1.3859
634 C A -0.3323
635 R A -2.6315
636 D A -2.6490
637 G A -1.8391
638 I A -0.3752
639 N A -1.3562
640 R A -2.6150
641 Y A -2.1078
642 D A -2.0684
643 C A -0.0899
644 V A 0.9688
645 C A 0.6751
646 Q A -0.7024
647 P A -1.2852
648 G A -1.8915
649 F A -0.6090
650 T A 0.1532
651 G A 0.2055
652 P A 0.0194
653 L A 0.7081
654 C A 0.0000
655 N A -0.3171
656 V A 0.6035
657 E A -1.6858
658 I A -1.3693
659 N A -2.2133
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1971 K A -1.2780
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1974 T A 0.0000
1975 P A 0.0000
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1982 E A -0.4776
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1986 E A -2.0594
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1990 L A -1.1310
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1992 L A -0.9668
1993 D A -1.6388
1994 H A -0.5874
1995 F A 0.4446
1996 A A 0.0000
1997 N A -1.0089
1998 R A -1.4045
1999 E A -2.0398
2000 I A -1.3480
2001 T A -1.6530
2002 D A 0.0000
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2007 L A -1.4225
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2010 D A -2.6314
2011 V A 0.0000
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2014 E A -3.3561
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2016 L A -1.0777
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2018 Q A -2.5154
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2245 L A 1.9366
2246 T A 0.8500
2247 P A -0.1319
2248 S A -0.9803
2249 P A -1.4066
2250 E A -2.3937
2251 S A -1.9747
2252 P A -1.8182
2253 E A -2.4591
2254 H A -1.4649
2255 W A 0.1954
2256 A A -0.0278
2257 S A -0.1677
2258 P A -0.4003
2259 S A -0.5963
2260 P A -0.4486
2261 P A -0.1569
2262 S A 0.0436
2263 L A 0.9133
2264 S A -0.1178
2265 D A -1.1798
2266 W A -0.1567
2267 S A -1.0329
2268 E A -1.9396
2269 S A -1.1407
2270 T A -0.7856
2271 P A -0.5025
2272 S A -0.4739
2273 P A -0.3978
2274 A A -0.1363
2275 T A -0.0835
2276 A A -0.1244
2277 T A -0.2684
2278 G A -0.2287
2279 A A 0.3317
2280 M A 0.9922
2281 A A 0.5514
2282 T A 0.1629
2283 T A -0.2390
2284 T A -0.1843
2285 G A -0.1148
2286 A A 0.5194
2287 L A 1.3335
2288 P A 0.2474
2289 A A -0.4312
2290 Q A -1.0187
2291 P A -0.1177
2292 L A 1.3607
2293 P A 1.2306
2294 L A 2.0018
2295 S A 1.3838
2296 V A 1.8082
2297 P A 0.4507
2298 S A 0.2398
2299 S A 0.3720
2300 L A 1.1661
2301 A A 0.2930
2302 Q A -1.0703
2303 A A -1.2104
2304 Q A -1.7414
2305 T A -0.9281
2306 Q A -0.8826
2307 L A 0.5014
2308 G A -0.3396
2309 P A -1.1166
2310 Q A -1.6224
2311 P A -1.5308
2312 E A -1.4001
2313 V A 0.5849
2314 T A -0.1899
2315 P A -1.3380
2316 K A -3.0832
2317 R A -3.0715
2318 Q A -1.3811
2319 V A 1.6501
2320 L A 2.2780
2321 A A 1.2264
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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 -0.079 6.9593 View CSV PDB
4.5 -0.1627 6.9593 View CSV PDB
5.0 -0.264 6.9593 View CSV PDB
5.5 -0.3688 6.9593 View CSV PDB
6.0 -0.4651 6.9593 View CSV PDB
6.5 -0.5451 6.9593 View CSV PDB
7.0 -0.6082 6.9593 View CSV PDB
7.5 -0.6591 6.9593 View CSV PDB
8.0 -0.7016 6.9593 View CSV PDB
8.5 -0.7342 6.9593 View CSV PDB
9.0 -0.7533 6.9593 View CSV PDB