Project name: C540G_5

Status: done

Started: 2026-05-19 00:25:37
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGGLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:39)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:40)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:32:37)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/f0e7618474e33f/tmp/folded.pdb                 (00:32:37)
[INFO]       Main:     Simulation completed successfully.                                          (01:13:54)
Show buried residues

Minimal score value
-2.5189
Maximal score value
2.4329
Average score
-0.2825
Total score value
-655.6871

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 0.9683
2 G A -0.3212
3 P A -0.4005
4 G A -0.3613
5 A A -0.3376
6 R A -1.9179
7 G A -1.1349
8 R A -2.2619
9 R A -2.5143
10 R A -2.5157
11 R A -2.5168
12 R A -2.5189
13 R A -2.2272
14 P A -0.3965
15 M A 0.9670
16 S A -0.0638
17 P A -0.3402
18 P A -0.3480
19 P A -0.3480
20 P A -0.3479
21 P A -0.3481
22 P A -0.3482
23 P A 0.0267
24 V A 1.3864
25 R A -1.5072
26 A A 0.0018
27 L A 1.5124
28 P A 0.3064
29 L A 1.7860
30 L A 2.1113
31 L A 2.1078
32 L A 2.1136
33 L A 1.8430
34 A A 0.2556
35 G A -0.5020
36 P A -0.4265
37 G A -0.5030
38 A A -0.0159
39 A A 0.0781
40 A A 0.0451
41 P A -0.0737
42 P A -0.0340
43 C A 0.3611
44 L A 1.3139
45 D A -1.1650
46 G A -0.7206
47 S A -0.1835
48 P A -0.2644
49 C A 0.0000
50 A A -0.0601
51 N A -0.4537
52 G A 0.0932
53 G A 0.0000
54 R A -1.7075
55 C A 0.3932
56 T A -0.1113
57 Q A -1.0993
58 L A 0.2908
59 P A -0.1935
60 S A -0.5863
61 R A -2.2182
62 E A -2.1607
63 A A 0.0000
64 A A 0.0253
65 C A 0.3097
66 L A 0.8047
67 C A 0.3412
68 P A 0.0000
69 P A -0.2657
70 G A -0.0777
71 W A 0.0774
72 V A 0.2769
73 G A -0.3026
74 E A -1.5639
75 R A -0.7100
76 C A 0.0000
77 Q A -0.4658
78 L A -0.1982
79 E A -1.7833
80 D A -0.5748
81 P A -0.0710
82 C A -0.0844
83 H A -1.0103
84 S A -0.4766
85 G A -0.5159
86 P A -0.1340
87 C A -0.0129
88 A A 0.0014
89 G A -0.5511
90 R A -1.8961
91 G A -0.0460
92 V A 1.7821
93 C A 0.3689
94 Q A -0.4528
95 S A -0.0687
96 S A -0.0786
97 V A 0.9949
98 V A 1.9134
99 A A 0.2990
100 G A -0.4652
101 T A -0.1362
102 A A 0.0000
103 R A -1.6773
104 F A 0.4035
105 S A -0.0494
106 C A -0.2815
107 R A -1.7873
108 C A -0.1435
109 P A -0.3455
110 R A -1.8624
111 G A -0.2672
112 F A 0.7065
113 R A -0.2883
114 G A -0.2622
115 P A -0.4091
116 D A -0.7548
117 C A 0.0000
118 S A -0.0472
119 L A 0.6860
120 P A -0.0514
121 D A -0.3182
122 P A -0.0817
123 C A 0.2849
124 L A 1.1684
125 S A -0.0332
126 S A -0.2593
127 P A -0.0712
128 C A 0.0709
129 A A -0.1188
130 H A -0.8816
131 G A -0.6087
132 A A -0.3999
133 R A -1.8267
134 C A -0.2749
135 S A -0.0236
136 V A 0.5791
137 G A 0.0148
138 P A -0.5856
139 D A -1.8600
140 G A -0.7910
141 R A -1.8104
142 F A 0.1790
143 L A 0.7869
144 C A 0.1957
145 S A -0.1634
146 C A 0.1242
147 P A -0.0851
148 P A -0.2766
149 G A -0.0432
150 Y A -0.1921
151 Q A -1.2591
152 G A -1.0312
153 R A -1.9406
154 S A -0.3755
155 C A 0.0000
156 R A -1.8832
157 S A -0.7034
158 D A -0.7687
159 V A 0.1898
160 D A -0.3869
161 E A -0.8175
162 C A -0.3412
163 R A -1.4980
164 V A 1.3938
165 G A -0.2415
166 E A -1.8737
167 P A -0.3904
168 C A 0.0000
169 R A -1.9997
170 H A -1.2775
171 G A -0.6313
172 G A -0.1243
173 T A -0.0589
174 C A 0.2400
175 L A 0.5676
176 N A -0.4006
177 T A 0.0000
178 P A -0.2693
179 G A -0.1607
180 S A -0.0761
181 F A 0.0197
182 R A -1.7413
183 C A -0.4567
184 Q A -1.1399
185 C A -0.0228
186 P A -0.0538
187 A A 0.0178
188 G A -0.0318
189 Y A 0.3316
190 T A 0.0168
191 G A -0.2001
192 P A -0.2083
193 L A 0.3690
194 C A 0.0000
195 E A -0.7339
196 N A -1.2883
197 P A -0.3995
198 A A 0.3318
199 V A 1.7706
200 P A 0.3264
201 C A 0.1508
202 A A 0.0008
203 P A -0.2631
204 S A -0.1611
205 P A -0.0730
206 C A 0.0000
207 R A -1.9964
208 N A -1.2517
209 G A -0.6230
210 G A -0.1096
211 T A -0.0593
212 C A 0.0000
213 R A -2.0692
214 Q A -1.5133
215 S A -0.4034
216 G A -0.5188
217 D A -1.6340
218 L A 0.6820
219 T A 0.1917
220 Y A -0.0679
221 D A -1.7018
222 C A 0.0000
223 A A 0.0936
224 C A 0.4074
225 L A 0.8848
226 P A -0.1037
227 G A -0.2509
228 F A -0.2533
229 E A -1.8109
230 G A -0.7510
231 Q A -1.2864
232 N A -0.5067
233 C A 0.0000
234 E A -1.0768
235 V A 0.4985
236 N A -0.8096
237 V A 0.4422
238 D A -1.7620
239 D A -1.1630
240 C A -0.1086
241 P A -0.3240
242 G A -0.6209
243 H A -1.0157
244 R A -1.9374
245 C A -0.0108
246 L A 0.9383
247 N A -0.7241
248 G A -0.6253
249 G A -0.1189
250 T A -0.0629
251 C A 0.2395
252 V A 0.7417
253 D A -0.3519
254 G A 0.1211
255 V A 1.5174
256 N A -0.9731
257 T A -0.2587
258 Y A -0.1062
259 N A -1.2182
260 C A -0.3602
261 Q A -1.1439
262 C A -0.0248
263 P A -0.0614
264 P A -0.3614
265 E A -0.5714
266 W A 0.0155
267 T A -0.2557
268 G A -0.5721
269 Q A -1.1949
270 F A 0.1672
271 C A 0.0000
272 T A -0.4027
273 E A -1.8980
274 D A -0.6177
275 V A 0.0310
276 D A -0.4941
277 E A -0.1086
278 C A -0.1406
279 Q A -0.8978
280 L A 1.1714
281 Q A -0.5300
282 P A -0.6224
283 N A -1.3178
284 A A -0.2222
285 C A 0.0000
286 H A -0.9482
287 N A -0.9607
288 G A -0.6092
289 G A -0.1306
290 T A -0.0453
291 C A 0.4701
292 F A 1.7646
293 N A -0.3123
294 T A 0.0720
295 L A 1.5072
296 G A 0.0611
297 G A -0.1663
298 H A -0.4911
299 S A -0.2550
300 C A 0.4006
301 V A 1.8254
302 C A 0.7133
303 V A 0.9394
304 N A -1.0646
305 G A 0.0000
306 W A 0.1462
307 T A -0.0338
308 G A -0.5585
309 E A -1.8691
310 S A -0.3764
311 C A 0.0000
312 S A -0.4317
313 Q A -1.3011
314 N A -0.3903
315 I A 0.4819
316 D A -1.4784
317 D A -0.6957
318 C A 0.0478
319 A A 0.0664
320 T A -0.0587
321 A A 0.3350
322 V A 1.7936
323 C A 0.6389
324 F A 0.7840
325 H A -0.9024
326 G A -0.6449
327 A A -0.0582
328 T A -0.0362
329 C A 0.0784
330 H A -0.6693
331 D A -1.7510
332 R A -1.2294
333 V A 1.4053
334 A A 0.3168
335 S A -0.1068
336 F A 0.2825
337 Y A 0.7278
338 C A 0.2153
339 A A 0.0949
340 C A 0.2875
341 P A 0.1643
342 M A 1.0193
343 G A -0.0466
344 K A -0.8106
345 T A -0.1182
346 G A 0.1893
347 L A 1.5916
348 L A 0.5978
349 C A 0.0000
350 H A -0.3496
351 L A -0.2035
352 D A -1.8940
353 D A -0.8065
354 A A -0.0480
355 C A 0.3728
356 V A 1.5341
357 S A -0.1563
358 N A -1.3317
359 P A -0.3313
360 C A 0.0180
361 H A -0.5413
362 E A -2.1854
363 D A -2.1181
364 A A 0.0739
365 I A 2.0447
366 C A 0.2217
367 D A -1.7587
368 T A 0.0000
369 N A 0.0000
370 P A 0.1223
371 V A 1.5946
372 N A -0.4877
373 G A -0.5474
374 R A -1.8539
375 A A -0.2821
376 I A 0.2747
377 C A 0.1466
378 T A -0.0150
379 C A 0.1839
380 P A -0.0362
381 P A -0.2695
382 G A -0.0698
383 F A 0.1538
384 T A -0.0337
385 G A -0.3317
386 G A -0.5060
387 A A -0.0503
388 C A 0.0000
389 D A -2.0074
390 Q A -1.6225
391 D A -0.6568
392 V A 0.1380
393 D A -0.6962
394 E A -0.3510
395 C A 0.0675
396 S A 0.1795
397 I A 1.8876
398 G A -0.0831
399 A A -0.2418
400 N A -1.1665
401 P A -0.2435
402 C A 0.0000
403 E A -1.7232
404 H A -0.3410
405 L A 1.4905
406 G A 0.0000
407 R A -1.9665
408 C A 0.0000
409 V A 0.3235
410 N A -0.7185
411 T A -0.3429
412 Q A -1.2162
413 G A -0.3263
414 S A -0.0492
415 F A 0.7461
416 L A 1.6298
417 C A 0.0000
418 Q A -1.3426
419 C A -0.0318
420 G A -0.5444
421 R A -1.8898
422 G A 0.0000
423 Y A -0.0658
424 T A -0.0463
425 G A -0.2157
426 P A -0.5799
427 R A -1.7070
428 C A 0.0000
429 E A -1.3466
430 T A -0.6182
431 D A -1.6285
432 V A 0.4320
433 N A -0.2370
434 E A -0.3557
435 C A 0.3168
436 L A 1.5264
437 S A -0.0158
438 G A -0.5112
439 P A -0.1033
440 C A -0.1618
441 R A -1.9630
442 N A -1.2948
443 Q A -1.3305
444 A A -0.1914
445 T A -0.0013
446 C A 0.1488
447 L A 0.1076
448 D A -0.9006
449 R A -1.7121
450 I A 1.6741
451 G A 0.0000
452 Q A -1.3170
453 F A 0.0510
454 T A 0.0627
455 C A 0.3112
456 I A 1.2005
457 C A 0.5133
458 M A 0.5778
459 A A 0.1051
460 G A -0.2286
461 F A -0.0272
462 T A -0.0480
463 G A -0.2713
464 T A 0.0147
465 Y A 0.7205
466 C A 0.0000
467 E A -0.5602
468 V A 0.6909
469 D A -1.4047
470 I A 0.1357
471 D A -1.7347
472 E A -1.2215
473 C A -0.2824
474 Q A -1.2200
475 S A -0.4693
476 S A -0.2589
477 P A -0.0693
478 C A 0.2539
479 V A 0.8943
480 N A -0.8000
481 G A -0.6397
482 G A 0.1996
483 V A 1.7877
484 C A 0.2370
485 K A -1.6338
486 D A -2.2778
487 R A -1.8471
488 V A 1.2086
489 N A -0.9792
490 G A -0.2167
491 F A 0.4653
492 S A 0.1017
493 C A 0.1006
494 T A -0.0000
495 C A 0.1500
496 P A -0.1195
497 S A -0.2433
498 G A -0.2898
499 F A 0.1436
500 S A -0.0851
501 G A -0.4000
502 S A -0.2775
503 T A -0.0419
504 C A 0.0000
505 Q A -0.5069
506 L A 0.7933
507 D A -1.3701
508 V A 0.1200
509 D A -1.7040
510 E A -0.7136
511 C A 0.0350
512 A A 0.0374
513 S A -0.2147
514 T A -0.1135
515 P A -0.0413
516 C A 0.0000
517 R A -1.7121
518 N A -1.3681
519 G A -0.6438
520 A A -0.3542
521 K A -1.6850
522 C A -0.1279
523 V A 0.2651
524 D A -1.5970
525 Q A -1.1530
526 P A -0.7219
527 D A -1.8636
528 G A -0.3965
529 Y A 0.1962
530 E A -1.2103
531 C A -0.4882
532 R A -1.7809
533 C A -0.0733
534 A A -0.2538
535 E A -1.8267
536 G A -0.3520
537 F A -0.3040
538 E A -1.8514
539 G A -0.7906
540 G A -0.4388
541 L A 0.4541
542 C A 0.0000
543 D A -2.1187
544 R A -2.3969
545 N A -1.4748
546 V A 0.0717
547 D A -1.8217
548 D A -1.0988
549 C A -0.2630
550 S A -0.2638
551 P A -0.6253
552 D A -1.8288
553 P A -0.3343
554 C A -0.2346
555 H A -1.0580
556 H A -0.6538
557 G A -0.5225
558 R A -1.8564
559 C A -0.0553
560 V A 0.7138
561 D A -1.5703
562 G A -0.1855
563 I A 1.9807
564 A A 0.3632
565 S A -0.0734
566 F A 0.3299
567 S A -0.0844
568 C A 0.0742
569 A A 0.1220
570 C A 0.2706
571 A A 0.0333
572 P A -0.2600
573 G A -0.0516
574 Y A 0.1137
575 T A -0.0438
576 G A -0.2725
577 T A -0.3041
578 R A -1.0491
579 C A 0.0000
580 E A -1.6087
581 S A -0.5841
582 Q A -0.8755
583 V A 0.4221
584 D A -1.2112
585 E A -0.5946
586 C A 0.0000
587 R A -1.8835
588 S A -0.7692
589 Q A -1.2426
590 P A -0.2529
591 C A 0.0000
592 R A -1.8862
593 H A -0.6509
594 G A -0.5160
595 G A -0.4093
596 K A -1.7090
597 C A 0.0000
598 L A 0.0046
599 D A -1.4086
600 L A 1.0540
601 V A 1.6740
602 D A -1.7739
603 K A -1.7531
604 Y A 0.5014
605 L A 1.3691
606 C A -0.0463
607 R A -1.7779
608 C A -0.0690
609 P A -0.0750
610 S A -0.2496
611 G A -0.2862
612 T A -0.1291
613 T A -0.0923
614 G A 0.0925
615 V A 1.6806
616 N A 0.0364
617 C A 0.0000
618 E A -0.4961
619 V A 0.8792
620 N A -0.2389
621 I A 1.2790
622 D A -1.6035
623 D A -1.0443
624 C A -0.0322
625 A A 0.0369
626 S A -0.4225
627 N A -1.3195
628 P A -0.2652
629 C A 0.0623
630 T A 0.1597
631 F A 1.1512
632 G A 0.4712
633 V A 1.7725
634 C A 0.1123
635 R A -1.9588
636 D A -1.0113
637 G A -0.2648
638 I A 0.5863
639 N A -1.4576
640 R A -1.9786
641 Y A -0.1037
642 D A -1.2264
643 C A 0.0670
644 V A 1.2589
645 C A 0.1582
646 Q A -1.2120
647 P A -0.4832
648 G A -0.2212
649 F A 0.0952
650 T A -0.0008
651 G A -0.2153
652 P A -0.1497
653 L A 0.6959
654 C A 0.0000
655 N A -0.8965
656 V A 1.1351
657 E A -1.2872
658 I A 0.5460
659 N A -1.2709
660 E A -1.2990
661 C A -0.0754
662 A A 0.0393
663 S A -0.2400
664 S A -0.2711
665 P A -0.1397
666 C A 0.0355
667 G A -0.4239
668 E A -1.9255
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1950 N A -0.2835
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1953 E A -1.7233
1954 A A 0.0000
1955 T A 0.0000
1956 L A 0.6155
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1966 D A -0.4400
1967 M A -0.0640
1968 Q A -0.8616
1969 D A 0.0000
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1971 K A -1.4228
1972 E A -1.6556
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 -0.6074
1982 E A -0.9652
1983 G A -0.3089
1984 S A 0.0000
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1986 E A -1.1297
1987 A A 0.0000
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1989 K A -1.0200
1990 L A -0.1616
1991 L A 0.0000
1992 L A -0.0178
1993 D A -1.7814
1994 H A -0.3071
1995 F A 1.3308
1996 A A 0.0000
1997 N A -0.6754
1998 R A -0.8287
1999 E A -1.8374
2000 I A -0.0366
2001 T A -0.1591
2002 D A 0.0000
2003 H A -0.5752
2004 L A 1.0746
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2006 R A -0.6824
2007 L A 0.2630
2008 P A 0.0000
2009 R A -1.0157
2010 D A -1.1910
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.4868
2014 E A -2.1880
2015 R A -2.0944
2016 L A 0.0420
2017 H A -0.1680
2018 Q A -0.5394
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2021 V A 0.0000
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2266 W A 0.7907
2267 S A -0.3206
2268 E A -1.9096
2269 S A -0.6283
2270 T A -0.1672
2271 P A -0.3219
2272 S A -0.3293
2273 P A -0.2876
2274 A A -0.0077
2275 T A -0.0458
2276 A A 0.0308
2277 T A -0.1450
2278 G A -0.4687
2279 A A 0.2275
2280 M A 1.0786
2281 A A 0.2414
2282 T A -0.0711
2283 T A -0.0988
2284 T A -0.2056
2285 G A -0.4736
2286 A A 0.2574
2287 L A 1.5090
2288 P A 0.0599
2289 A A -0.2266
2290 Q A -1.2400
2291 P A -0.1490
2292 L A 1.4378
2293 P A 0.3652
2294 L A 1.4544
2295 S A 0.4695
2296 V A 1.6776
2297 P A 0.0453
2298 S A -0.3198
2299 S A 0.0439
2300 L A 1.5196
2301 A A 0.1688
2302 Q A -1.1735
2303 A A -0.4387
2304 Q A -1.2039
2305 T A -0.5978
2306 Q A -0.9180
2307 L A 1.2151
2308 G A -0.1725
2309 P A -0.5760
2310 Q A -1.3062
2311 P A -0.8921
2312 E A -1.4713
2313 V A 1.3499
2314 T A 0.2300
2315 P A -0.6324
2316 K A -2.1105
2317 R A -2.4661
2318 Q A -1.3052
2319 V A 1.8314
2320 L A 1.8938
2321 A A 0.3635
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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 -0.0043 4.6689 View CSV PDB
4.5 -0.0376 4.6689 View CSV PDB
5.0 -0.0779 4.6689 View CSV PDB
5.5 -0.1195 4.6689 View CSV PDB
6.0 -0.1573 4.6689 View CSV PDB
6.5 -0.188 4.6689 View CSV PDB
7.0 -0.2113 4.6689 View CSV PDB
7.5 -0.2297 4.6689 View CSV PDB
8.0 -0.2447 4.6689 View CSV PDB
8.5 -0.2559 4.6689 View CSV PDB
9.0 -0.2621 4.6689 View CSV PDB