Project name: C466S_5

Status: done

Started: 2026-05-19 00:20:09
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYSEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[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.  (00:00:33)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:34)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:47)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/acc775b6afed514/tmp/folded.pdb                (00:30:47)
[INFO]       Main:     Simulation completed successfully.                                          (01:07:41)
Show buried residues

Minimal score value
-2.5274
Maximal score value
2.2446
Average score
-0.2804
Total score value
-650.8353

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 0.9627
2 G A -0.3078
3 P A -0.4260
4 G A -0.5025
5 A A -0.3634
6 R A -1.9178
7 G A -1.1335
8 R A -2.2617
9 R A -2.5233
10 R A -2.5274
11 R A -2.5228
12 R A -2.5259
13 R A -2.2312
14 P A -0.3968
15 M A 0.9663
16 S A -0.0632
17 P A -0.3409
18 P A -0.3487
19 P A -0.3487
20 P A -0.3489
21 P A -0.3489
22 P A -0.3486
23 P A 0.0300
24 V A 1.3817
25 R A -1.5029
26 A A 0.0010
27 L A 1.5113
28 P A 0.3243
29 L A 1.7925
30 L A 2.1346
31 L A 2.1361
32 L A 2.1359
33 L A 1.8528
34 A A 0.2648
35 G A -0.5019
36 P A -0.4274
37 G A -0.5032
38 A A -0.0179
39 A A 0.0775
40 A A 0.0081
41 P A -0.2636
42 P A -0.1024
43 C A 0.4617
44 L A 1.2604
45 D A -1.5943
46 G A -0.8150
47 S A -0.2439
48 P A -0.1276
49 C A -0.1736
50 A A -0.1248
51 N A -0.9610
52 G A -0.6270
53 G A 0.0000
54 R A -1.8441
55 C A 0.0000
56 T A -0.1710
57 Q A -0.6790
58 L A 0.6074
59 P A -0.1473
60 S A -0.5870
61 R A -2.2145
62 E A -2.1536
63 A A -0.4231
64 A A 0.0298
65 C A 0.3755
66 L A 1.6070
67 C A 0.5078
68 P A -0.0718
69 P A -0.2810
70 G A -0.0798
71 W A 0.1611
72 V A 0.2945
73 G A -0.3668
74 E A -2.1651
75 R A -2.1612
76 C A 0.0000
77 Q A -0.5906
78 L A -0.2262
79 E A -1.7761
80 D A -0.5691
81 P A -0.0700
82 C A -0.0799
83 H A -1.0091
84 S A -0.4766
85 G A -0.5162
86 P A -0.1346
87 C A -0.0151
88 A A 0.0014
89 G A -0.5441
90 R A -1.8947
91 G A -0.0457
92 V A 1.7824
93 C A 0.2882
94 Q A -0.8909
95 S A -0.1576
96 S A -0.0929
97 V A 0.9484
98 V A 1.9051
99 A A 0.2987
100 G A -0.4655
101 T A -0.1382
102 A A 0.0000
103 R A -1.7003
104 F A 0.3678
105 S A -0.0535
106 C A -0.2833
107 R A -1.7867
108 C A -0.1454
109 P A -0.3486
110 R A -1.8670
111 G A -0.2918
112 F A 0.7434
113 R A -0.2616
114 G A -0.2604
115 P A -0.4145
116 D A -0.7826
117 C A 0.0000
118 S A -0.0231
119 L A 0.7338
120 P A -0.0578
121 D A -0.3673
122 P A -0.0920
123 C A 0.2071
124 L A 0.5769
125 S A -0.1422
126 S A -0.2584
127 P A -0.0657
128 C A 0.0646
129 A A -0.1249
130 H A -0.8914
131 G A -0.6124
132 A A -0.3958
133 R A -1.8130
134 C A -0.2044
135 S A -0.0280
136 V A 0.6291
137 G A 0.0220
138 P A -0.5874
139 D A -1.8491
140 G A -0.7314
141 R A -1.7914
142 F A 0.2469
143 L A 0.9200
144 C A 0.2299
145 S A -0.1488
146 C A 0.1993
147 P A -0.0662
148 P A -0.2781
149 G A -0.0536
150 Y A -0.1552
151 Q A -1.2555
152 G A -1.0284
153 R A -1.9375
154 S A -0.3662
155 C A 0.0000
156 R A -1.8714
157 S A -0.6120
158 D A -0.5906
159 V A 0.1894
160 D A -0.3436
161 E A -0.4759
162 C A -0.3525
163 R A -1.5007
164 V A 1.2859
165 G A -0.4626
166 E A -1.9100
167 P A -0.3608
168 C A -0.1455
169 R A -1.5657
170 H A -1.2482
171 G A -0.6397
172 G A -0.1254
173 T A -0.0597
174 C A 0.2261
175 L A 0.5158
176 N A -0.3996
177 T A -0.1157
178 P A -0.2683
179 G A -0.1497
180 S A -0.0885
181 F A -0.0746
182 R A -1.7569
183 C A -0.4652
184 Q A -1.1415
185 C A -0.0363
186 P A -0.0587
187 A A 0.0125
188 G A -0.0557
189 Y A 0.3351
190 T A 0.0356
191 G A -0.1832
192 P A -0.2109
193 L A 0.3464
194 C A 0.0000
195 E A -0.9218
196 N A -1.2789
197 P A -0.3950
198 A A 0.2638
199 V A 1.3899
200 P A 0.0000
201 C A 0.1304
202 A A -0.0162
203 P A -0.2692
204 S A -0.1786
205 P A -0.0676
206 C A -0.2656
207 R A -1.7751
208 N A -1.2118
209 G A -0.6237
210 G A -0.1139
211 T A -0.0607
212 C A -0.2390
213 R A -2.0479
214 Q A -1.5238
215 S A -0.4299
216 G A -0.5623
217 D A -1.5455
218 L A 1.2134
219 T A 0.2434
220 Y A -0.1290
221 D A -0.9131
222 C A -0.0726
223 A A 0.0875
224 C A 0.3902
225 L A 0.8688
226 P A -0.1062
227 G A -0.2846
228 F A -0.1729
229 E A -1.8285
230 G A -0.8319
231 Q A -1.2873
232 N A -0.4191
233 C A 0.0000
234 E A -1.2168
235 V A 0.7933
236 N A -0.0130
237 V A 0.4686
238 D A -1.7837
239 D A -1.1742
240 C A -0.1157
241 P A -0.3253
242 G A -0.6020
243 H A -0.9071
244 R A -1.9326
245 C A 0.0000
246 L A 1.2817
247 N A -0.6049
248 G A -0.6160
249 G A -0.1212
250 T A -0.0619
251 C A 0.2958
252 V A 1.0216
253 D A -0.3984
254 G A 0.1315
255 V A 1.4855
256 N A -0.9757
257 T A -0.2448
258 Y A -0.1190
259 N A -1.2176
260 C A -0.3655
261 Q A -1.1537
262 C A -0.0842
263 P A -0.0751
264 P A -0.3684
265 E A -0.6052
266 W A 0.0159
267 T A -0.2549
268 G A -0.5553
269 Q A -1.1951
270 F A 0.1346
271 C A 0.0000
272 T A -0.4061
273 E A -1.8846
274 D A -0.5463
275 V A 0.0359
276 D A -0.5058
277 E A -0.2209
278 C A -0.1786
279 Q A -0.8990
280 L A 1.0796
281 Q A -0.9623
282 P A -0.7019
283 N A -1.3179
284 A A -0.2234
285 C A 0.0000
286 H A -1.1021
287 N A -0.9537
288 G A -0.2691
289 G A -0.0600
290 T A 0.0019
291 C A 0.2412
292 F A 0.6368
293 N A -0.2823
294 T A 0.1325
295 L A 1.5076
296 G A 0.0422
297 G A -0.1717
298 H A -0.5056
299 S A -0.2629
300 C A 0.1221
301 V A 0.3359
302 C A 0.1558
303 V A 0.0000
304 N A -0.2222
305 G A 0.0000
306 W A 0.1346
307 T A -0.0362
308 G A -0.5826
309 E A -1.8734
310 S A -0.3791
311 C A 0.0000
312 S A -0.4326
313 Q A -1.3117
314 N A -0.4645
315 I A 0.3146
316 D A -1.7451
317 D A -0.8083
318 C A 0.0389
319 A A 0.0674
320 T A -0.0587
321 A A 0.3372
322 V A 1.7925
323 C A 0.6456
324 F A 0.8118
325 H A -0.8960
326 G A -0.6456
327 A A -0.0567
328 T A -0.0403
329 C A 0.0696
330 H A -0.4272
331 D A -0.7399
332 R A -1.6392
333 V A 1.2144
334 A A 0.0000
335 S A -0.2151
336 F A 0.6416
337 Y A 1.3327
338 C A 0.3228
339 A A 0.0911
340 C A 0.2833
341 P A 0.1639
342 M A 1.0245
343 G A 0.0049
344 K A -0.7198
345 T A -0.1012
346 G A 0.2136
347 L A 1.5992
348 L A 0.6296
349 C A 0.0000
350 H A -0.2565
351 L A -0.1876
352 D A -1.8689
353 D A -0.7207
354 A A -0.0312
355 C A 0.3576
356 V A 1.4918
357 S A -0.1638
358 N A -1.3342
359 P A -0.3564
360 C A 0.0000
361 H A -0.5108
362 E A -2.1788
363 D A -2.1195
364 A A 0.0784
365 I A 2.0427
366 C A 0.3169
367 D A -1.1897
368 T A -0.2647
369 N A -0.1799
370 P A 0.1945
371 V A 1.5252
372 N A -0.9505
373 G A 0.0000
374 R A -1.8429
375 A A -0.1877
376 I A 0.8492
377 C A 0.2645
378 T A 0.0333
379 C A 0.2023
380 P A -0.0330
381 P A -0.2687
382 G A -0.0333
383 F A 0.1438
384 T A -0.1691
385 G A -0.3695
386 G A -0.5131
387 A A -0.0625
388 C A 0.0000
389 D A -2.0078
390 Q A -1.6215
391 D A -0.6402
392 V A 0.0337
393 D A -0.9822
394 E A -0.4346
395 C A 0.0893
396 S A 0.1840
397 I A 1.8877
398 G A -0.0827
399 A A -0.2533
400 N A -1.2221
401 P A -0.2506
402 C A 0.0000
403 E A -1.5049
404 H A -0.6528
405 L A 1.4248
406 G A 0.0000
407 R A -1.9666
408 C A 0.0000
409 V A 0.4830
410 N A -0.2094
411 T A -0.2612
412 Q A -1.2133
413 G A -0.3074
414 S A -0.0539
415 F A 0.7115
416 L A 1.4662
417 C A 0.1007
418 Q A -1.3285
419 C A -0.0405
420 G A -0.6219
421 R A -1.9130
422 G A -0.1408
423 Y A -0.0482
424 T A -0.0371
425 G A -0.2071
426 P A -0.4943
427 R A -1.2298
428 C A 0.0000
429 E A -1.0660
430 T A -0.5664
431 D A -1.6716
432 V A 0.1136
433 N A -0.6446
434 E A -0.7389
435 C A 0.2636
436 L A 1.5273
437 S A -0.0146
438 G A -0.5113
439 P A -0.1043
440 C A -0.1745
441 R A -1.9437
442 N A -1.1852
443 Q A -1.3109
444 A A -0.1991
445 T A -0.0446
446 C A 0.3573
447 L A 1.1033
448 D A -0.8903
449 R A -1.6213
450 I A 1.6705
451 G A 0.0000
452 Q A -1.3146
453 F A -0.0275
454 T A 0.0493
455 C A 0.3181
456 I A 1.3278
457 C A 0.5579
458 M A 0.5535
459 A A 0.1404
460 G A -0.2451
461 F A -0.0454
462 T A -0.0463
463 G A -0.2430
464 T A 0.0108
465 Y A 0.6690
466 S A 0.0000
467 E A -0.5478
468 V A 0.7170
469 D A -1.3555
470 I A 0.3974
471 D A -1.7138
472 E A -1.3233
473 C A -0.3027
474 Q A -1.2189
475 S A -0.4677
476 S A -0.2588
477 P A -0.0683
478 C A 0.2605
479 V A 0.9155
480 N A -0.8342
481 G A -0.6473
482 G A 0.2009
483 V A 1.7877
484 C A 0.2398
485 K A -1.6219
486 D A -2.2923
487 R A -1.8446
488 V A 1.2055
489 N A -0.9817
490 G A -0.2448
491 F A 0.3153
492 S A 0.0817
493 C A 0.0990
494 T A -0.0017
495 C A 0.1494
496 P A -0.1216
497 S A -0.2433
498 G A -0.3210
499 F A 0.0658
500 S A 0.0290
501 G A -0.3924
502 S A -0.2763
503 T A -0.0413
504 C A 0.0000
505 Q A -0.9758
506 L A 0.6660
507 D A -1.3892
508 V A 0.0820
509 D A -1.7216
510 E A -0.6832
511 C A 0.0387
512 A A 0.0370
513 S A -0.2148
514 T A -0.1139
515 P A -0.0414
516 C A 0.0000
517 R A -1.6506
518 N A -1.2354
519 G A -0.6218
520 A A -0.3541
521 K A -1.6853
522 C A -0.1617
523 V A 0.0717
524 D A -1.6661
525 Q A -1.0835
526 P A -0.7101
527 D A -1.8638
528 G A -0.3224
529 Y A 0.0671
530 E A -1.6889
531 C A -0.5566
532 R A -1.7750
533 C A -0.0560
534 A A -0.2548
535 E A -1.8277
536 G A -0.3501
537 F A -0.2565
538 E A -1.6541
539 G A -0.6067
540 T A -0.0478
541 L A 0.4146
542 C A 0.0000
543 D A -2.1188
544 R A -2.4000
545 N A -1.4086
546 V A 0.4541
547 D A -1.7379
548 D A -1.0250
549 C A -0.2604
550 S A -0.2641
551 P A -0.6277
552 D A -1.8296
553 P A -0.3420
554 C A -0.2509
555 H A -1.0615
556 H A -0.6672
557 G A -0.5046
558 R A -1.8616
559 C A 0.0000
560 V A 1.3249
561 D A -1.4456
562 G A -0.1581
563 I A 1.9868
564 A A 0.3653
565 S A -0.0710
566 F A 0.2865
567 S A -0.0903
568 C A 0.0635
569 A A -0.0692
570 C A 0.2599
571 A A 0.0290
572 P A -0.2590
573 G A -0.3014
574 Y A 0.0467
575 T A -0.0312
576 G A -0.2471
577 T A -0.3184
578 R A -1.1519
579 C A 0.0000
580 E A -1.5980
581 S A -0.5982
582 Q A -1.1059
583 V A -0.0323
584 D A -1.2982
585 E A -0.5472
586 C A 0.0000
587 R A -1.8831
588 S A -0.7668
589 Q A -1.2433
590 P A -0.2545
591 C A 0.0000
592 R A -1.6965
593 H A -0.7578
594 G A -0.5438
595 G A -0.4179
596 K A -1.7109
597 C A 0.0000
598 L A 0.2192
599 D A -1.4600
600 L A 0.8658
601 V A 1.6365
602 D A -1.7829
603 K A -1.8554
604 Y A -0.0287
605 L A 0.9344
606 C A -0.0958
607 R A -1.7792
608 C A -0.0934
609 P A -0.1025
610 S A -0.2461
611 G A -0.2422
612 T A 0.0000
613 T A -0.0894
614 G A 0.0849
615 V A 1.6787
616 N A 0.0326
617 C A 0.0000
618 E A -0.3809
619 V A 0.9176
620 N A -0.3205
621 I A 0.8893
622 D A -1.6905
623 D A -1.1442
624 C A -0.0637
625 A A 0.0337
626 S A -0.4292
627 N A -1.3202
628 P A -0.2666
629 C A 0.1426
630 T A 0.1964
631 F A 1.3566
632 G A 0.4288
633 V A 1.7745
634 C A 0.0819
635 R A -1.9487
636 D A -0.9463
637 G A -0.3039
638 I A 0.7231
639 N A -1.4277
640 R A -1.9841
641 Y A -0.1668
642 D A -1.6832
643 C A 0.0000
644 V A 0.6623
645 C A 0.0755
646 Q A -1.1356
647 P A -0.4570
648 G A 0.0000
649 F A 0.0431
650 T A -0.0255
651 G A -0.2043
652 P A -0.1464
653 L A 0.7252
654 C A 0.0000
655 N A -0.9704
656 V A 1.1206
657 E A -1.2868
658 I A 0.5341
659 N A -1.1262
660 E A -0.5252
661 C A 0.0531
662 A A 0.0376
663 S A -0.2406
664 S A -0.2605
665 P A -0.0752
666 C A 0.0459
667 G A -0.4468
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1950 N A -0.2742
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1953 E A -1.7287
1954 A A 0.0000
1955 T A 0.0000
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1960 K A -1.8918
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1966 D A -0.7304
1967 M A -0.0779
1968 Q A -0.6616
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1971 K A -1.0133
1972 E A -1.4841
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
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1980 A A 0.0000
1981 R A -0.8625
1982 E A -1.9454
1983 G A -0.4875
1984 S A 0.0000
1985 Y A 0.1284
1986 E A -1.2711
1987 A A 0.0000
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1989 K A -1.1231
1990 L A -0.1791
1991 L A 0.0000
1992 L A -0.0396
1993 D A -1.8019
1994 H A -0.4465
1995 F A 1.1579
1996 A A 0.0000
1997 N A -0.6538
1998 R A -0.7365
1999 E A -1.4176
2000 I A 0.0728
2001 T A -0.1451
2002 D A 0.0000
2003 H A -0.7031
2004 L A 1.0501
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2006 R A -0.6775
2007 L A 0.3136
2008 P A 0.0000
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2010 D A -1.2257
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.3155
2015 R A -1.8373
2016 L A 1.0944
2017 H A -0.1197
2018 Q A -1.3780
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2267 S A -0.4132
2268 E A -1.9088
2269 S A -0.5702
2270 T A -0.1691
2271 P A -0.3119
2272 S A -0.3130
2273 P A -0.2826
2274 A A -0.0113
2275 T A -0.0452
2276 A A 0.0262
2277 T A -0.1504
2278 G A -0.4646
2279 A A 0.1336
2280 M A 1.0765
2281 A A 0.2613
2282 T A -0.0767
2283 T A -0.1008
2284 T A -0.2005
2285 G A -0.4734
2286 A A 0.3306
2287 L A 1.5134
2288 P A 0.0459
2289 A A -0.2259
2290 Q A -1.2338
2291 P A -0.1905
2292 L A 1.4482
2293 P A 0.3450
2294 L A 1.4509
2295 S A 0.4908
2296 V A 1.6867
2297 P A 0.0236
2298 S A -0.3102
2299 S A 0.0350
2300 L A 1.5178
2301 A A 0.0760
2302 Q A -1.1739
2303 A A -0.4177
2304 Q A -1.1991
2305 T A -0.5645
2306 Q A -0.9380
2307 L A 1.2226
2308 G A -0.1481
2309 P A -0.5832
2310 Q A -1.2962
2311 P A -0.8164
2312 E A -1.4568
2313 V A 1.3375
2314 T A 0.2231
2315 P A -0.5811
2316 K A -2.0938
2317 R A -2.4539
2318 Q A -1.3152
2319 V A 1.8873
2320 L A 1.9448
2321 A A 0.3533
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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 -0.005 4.6752 View CSV PDB
4.5 -0.0375 4.6752 View CSV PDB
5.0 -0.077 4.6752 View CSV PDB
5.5 -0.118 4.6752 View CSV PDB
6.0 -0.1553 4.6752 View CSV PDB
6.5 -0.1857 4.6752 View CSV PDB
7.0 -0.209 4.6752 View CSV PDB
7.5 -0.2272 4.6752 View CSV PDB
8.0 -0.242 4.6752 View CSV PDB
8.5 -0.2529 4.6752 View CSV PDB
9.0 -0.2587 4.6752 View CSV PDB