Project name: C144S

Status: done

Started: 2026-05-06 05:31:37
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLSSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:46)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:46)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:33:05)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/50df3c771df2ee4/tmp/folded.pdb                (00:33:05)
[INFO]       Main:     Simulation completed successfully.                                          (01:12:19)
Show buried residues

Minimal score value
-4.6893
Maximal score value
6.0075
Average score
-0.7363
Total score value
-1708.9404

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 0.7138
2 G A -0.1959
3 P A -0.6377
4 G A -0.9692
5 A A -1.3440
6 R A -2.5453
7 G A -2.6958
8 R A -3.8128
9 R A -4.5287
10 R A -4.5761
11 R A -4.6148
12 R A -4.4637
13 R A -3.0793
14 P A -1.1283
15 M A 0.3030
16 S A -0.1340
17 P A -0.3334
18 P A -0.6236
19 P A -0.6209
20 P A -0.6513
21 P A -0.4422
22 P A -0.3841
23 P A 0.0009
24 V A 0.8738
25 R A -0.6543
26 A A 0.4993
27 L A 1.7608
28 P A 1.6432
29 L A 3.2612
30 L A 3.8714
31 L A 3.9808
32 L A 3.6617
33 L A 2.8582
34 A A 1.1210
35 G A -0.0115
36 P A -0.4594
37 G A -0.6485
38 A A -0.2920
39 A A -0.0946
40 A A -0.1082
41 P A -0.8013
42 P A -0.9219
43 C A -0.7613
44 L A 0.1976
45 D A -1.3132
46 G A -0.8222
47 S A -0.6688
48 P A -0.8517
49 C A -1.1481
50 A A -1.2828
51 N A -1.6871
52 G A -1.2481
53 G A -1.1589
54 R A -1.4805
55 C A -0.0311
56 T A -0.7911
57 Q A -1.8322
58 L A -1.2458
59 P A -1.3917
60 S A -1.8529
61 R A -3.1029
62 E A -2.8395
63 A A -1.4879
64 A A -0.9462
65 C A 0.0000
66 L A 0.4227
67 C A -0.1653
68 P A -0.2768
69 P A -0.4659
70 G A -0.9623
71 W A -0.8110
72 V A -0.8297
73 G A -0.9537
74 E A -1.9861
75 R A -1.7684
76 C A 0.0000
77 Q A -1.7115
78 L A -1.4915
79 E A -2.2948
80 D A -1.6372
81 P A -1.4117
82 C A -1.0136
83 H A -1.5324
84 S A -1.1427
85 G A -0.8685
86 P A -0.4032
87 C A -0.7755
88 A A -0.5625
89 G A -1.1334
90 R A -1.9751
91 G A -1.1465
92 V A 0.3938
93 C A -0.3644
94 Q A -1.0165
95 S A -0.6674
96 S A -0.1873
97 V A 0.5968
98 V A 1.4954
99 A A 0.5889
100 G A -0.2522
101 T A -0.1573
102 A A 0.0000
103 R A -1.3740
104 F A -0.7148
105 S A -0.9332
106 C A -0.9942
107 R A -1.7922
108 C A -1.1827
109 P A -1.3679
110 R A -1.9199
111 G A 0.0000
112 F A -0.3341
113 R A -0.6753
114 G A -0.5646
115 P A -0.7309
116 D A -0.7485
117 C A 0.0000
118 S A -0.0994
119 L A 0.4915
120 P A 0.1682
121 D A -0.0934
122 P A 0.1742
123 C A 0.4044
124 L A 0.8176
125 S A 0.2713
126 S A -0.1144
127 P A -0.3851
128 C A -1.1848
129 A A -1.5217
130 H A -1.7034
131 G A -1.3006
132 A A 0.0000
133 R A -1.8562
134 C A -0.2312
135 S A -0.0495
136 V A 0.2015
137 G A -0.5525
138 P A -1.1872
139 D A -2.2350
140 G A -1.5430
141 R A -1.8482
142 F A -0.4037
143 L A 0.2855
144 S A -0.7207
145 S A -0.9365
146 C A -1.3064
147 P A -0.8226
148 P A -0.5039
149 G A -0.8205
150 Y A -1.8125
151 Q A -2.4373
152 G A -2.4884
153 R A -2.3692
154 S A -1.9327
155 C A 0.0000
156 R A -2.9384
157 S A -2.2979
158 D A -1.9401
159 V A -1.1829
160 D A -1.1007
161 E A -1.4072
162 C A -1.4250
163 R A -1.7553
164 V A 0.1269
165 G A -1.0177
166 E A -2.3976
167 P A -1.7330
168 C A 0.0000
169 R A -3.0047
170 H A -2.1119
171 G A -1.7185
172 G A -1.7405
173 T A -1.2790
174 C A -1.4340
175 L A -0.4595
176 N A -1.1309
177 T A -0.7732
178 P A -0.9623
179 G A -1.0867
180 S A -0.8015
181 F A -0.9125
182 R A -1.8470
183 C A -1.6340
184 Q A -1.5397
185 C A -1.2621
186 P A -0.6362
187 A A 0.0321
188 G A 0.0945
189 Y A -0.4084
190 T A -0.6962
191 G A -0.9169
192 P A -1.0888
193 L A -1.3824
194 C A 0.0000
195 E A -1.6955
196 N A -1.5334
197 P A -0.3742
198 A A 0.3337
199 V A 1.0535
200 P A -0.0332
201 C A -0.2242
202 A A 0.3064
203 P A 0.0283
204 S A -0.6848
205 P A -1.1458
206 C A 0.0000
207 R A -3.0509
208 N A -2.0470
209 G A -1.4168
210 G A -1.6513
211 T A -1.2102
212 C A -1.8144
213 R A -2.8402
214 Q A -2.2698
215 S A -1.7423
216 G A -1.4742
217 D A -1.2974
218 L A 0.3482
219 T A -0.6568
220 Y A -1.6027
221 D A -2.7853
222 C A 0.0000
223 A A -0.9675
224 C A -0.9444
225 L A 0.0656
226 P A -0.0654
227 G A -0.5286
228 F A -1.1572
229 E A -2.1598
230 G A -2.1131
231 Q A -2.4595
232 N A -2.5373
233 C A 0.0000
234 E A -2.5697
235 V A -0.9549
236 N A -0.8060
237 V A -0.9708
238 D A -1.7013
239 D A -1.7866
240 C A -1.4533
241 P A -1.3827
242 G A -1.3416
243 H A -1.6081
244 R A -2.0377
245 C A 0.0000
246 L A 0.0292
247 N A -0.7106
248 G A -0.6353
249 G A -0.8023
250 T A -0.5824
251 C A -0.7176
252 V A -0.1137
253 D A -0.9423
254 G A -0.2659
255 V A 0.6205
256 N A -0.8469
257 T A -0.7469
258 Y A -1.2912
259 N A -1.7581
260 C A -1.2768
261 Q A -1.3440
262 C A -1.1721
263 P A -0.6991
264 P A -0.8092
265 E A -1.4269
266 W A -1.2623
267 T A -1.4177
268 G A -1.6139
269 Q A -1.9229
270 F A -1.4101
271 C A 0.0000
272 T A -1.2417
273 E A -2.1338
274 D A -1.4959
275 V A -1.1471
276 D A -1.3907
277 E A -1.3938
278 C A -1.0271
279 Q A -1.2529
280 L A -0.1117
281 Q A -1.5012
282 P A -1.4853
283 N A -2.1508
284 A A -1.3884
285 C A 0.0000
286 H A -2.1332
287 N A -1.7757
288 G A -1.3515
289 G A -0.6962
290 T A -0.0646
291 C A -0.0067
292 F A 0.8428
293 N A -0.4536
294 T A 0.1639
295 L A 0.6631
296 G A -0.5330
297 G A -0.4361
298 H A -0.6331
299 S A -0.1971
300 C A 0.1825
301 V A 0.9978
302 C A -0.1318
303 V A -0.2389
304 N A -0.8632
305 G A 0.0000
306 W A -0.8067
307 T A -1.0303
308 G A -1.3872
309 E A -2.1307
310 S A -1.6155
311 C A 0.0000
312 S A -1.6432
313 Q A -1.9475
314 N A -1.4656
315 I A -0.8675
316 D A -2.0494
317 D A -1.0395
318 C A -0.3928
319 A A -0.2468
320 T A 0.0254
321 A A 0.8649
322 V A 1.9836
323 C A 1.6155
324 F A 0.9634
325 H A -0.6260
326 G A -0.4494
327 A A 0.2382
328 T A 0.2744
329 C A 0.5018
330 H A -0.7439
331 D A -1.3991
332 R A -1.7743
333 V A -0.7730
334 A A -0.8205
335 S A -0.6901
336 F A 0.1022
337 Y A 1.0306
338 C A 0.0000
339 A A 0.5907
340 C A 0.5192
341 P A 0.1626
342 M A 0.8568
343 G A 0.0458
344 K A -0.9312
345 T A -0.6711
346 G A 0.3248
347 L A 1.9338
348 L A 1.6337
349 C A 0.0000
350 H A -0.2608
351 L A -1.0663
352 D A -2.0775
353 D A -1.3420
354 A A -1.2165
355 C A -0.3703
356 V A 0.8604
357 S A -0.0056
358 N A -0.9526
359 P A -0.9048
360 C A 0.0000
361 H A -2.3025
362 E A -3.0771
363 D A -2.3927
364 A A -1.0507
365 I A 0.7875
366 C A -0.3170
367 D A -1.2667
368 T A 0.0000
369 N A 0.0000
370 P A -0.2139
371 V A 0.7585
372 N A -0.7658
373 G A -1.7292
374 R A -2.3603
375 A A -1.2585
376 I A -0.7456
377 C A -0.6085
378 T A 0.0933
379 C A -0.3840
380 P A -0.3656
381 P A -0.4417
382 G A -0.7552
383 F A -1.6022
384 T A -1.1945
385 G A -1.4795
386 G A -1.4159
387 A A -1.4117
388 C A 0.0000
389 D A -2.9784
390 Q A -2.5807
391 D A -1.9949
392 V A -0.9871
393 D A -1.0724
394 E A -0.3024
395 C A -0.1706
396 S A 0.0958
397 I A 1.2003
398 G A 0.1760
399 A A -0.3470
400 N A -1.5888
401 P A -1.1411
402 C A 0.0000
403 E A -2.7852
404 H A -1.5878
405 L A -0.1185
406 G A 0.0000
407 R A -2.1400
408 C A 0.0000
409 V A 0.1005
410 N A -0.4628
411 T A -0.4716
412 Q A -1.7228
413 G A -1.4596
414 S A -0.3133
415 F A 0.1278
416 L A 0.5243
417 C A -1.1636
418 Q A -1.5984
419 C A -1.7708
420 G A -1.4646
421 R A -2.1213
422 G A -1.3205
423 Y A -1.3858
424 T A -1.5400
425 G A -1.5125
426 P A -1.3526
427 R A -2.8147
428 C A 0.0000
429 E A -2.6910
430 T A -1.6454
431 D A -1.4896
432 V A -0.7919
433 N A -0.8377
434 E A -0.9898
435 C A -0.1177
436 L A 0.8603
437 S A 0.0408
438 G A -0.4877
439 P A -0.3669
440 C A -0.7026
441 R A -2.0900
442 N A -2.0451
443 Q A -1.6840
444 A A -0.3707
445 T A 0.2707
446 C A 0.4745
447 L A 0.3147
448 D A -0.6191
449 R A -0.7861
450 I A -0.5995
451 G A 0.0000
452 Q A -1.4827
453 F A -0.3066
454 T A 0.4301
455 C A 0.9386
456 I A 2.0382
457 C A 0.9665
458 M A 0.3176
459 A A 0.3427
460 G A 0.0000
461 F A 0.0000
462 T A 0.0088
463 G A 0.0775
464 T A 0.3836
465 Y A 0.4361
466 C A 0.0000
467 E A -0.8582
468 V A -0.2479
469 D A -1.7601
470 I A -1.2456
471 D A -2.8558
472 E A -2.3743
473 C A -1.8795
474 Q A -2.0512
475 S A -1.2030
476 S A -0.4844
477 P A -0.1339
478 C A 0.1172
479 V A 0.2227
480 N A -0.8573
481 G A -0.3494
482 G A 0.2548
483 V A 1.1674
484 C A -0.5162
485 K A -2.2026
486 D A -3.4215
487 R A -2.7440
488 V A -0.4810
489 N A -1.3869
490 G A -1.2668
491 F A -1.3127
492 S A -0.6678
493 C A 0.1406
494 T A 0.3591
495 C A 0.3279
496 P A -0.3862
497 S A -1.0255
498 G A -1.9770
499 F A -1.0500
500 S A -0.3901
501 G A -0.5635
502 S A -0.2822
503 T A -0.0298
504 C A 0.0000
505 Q A -0.9867
506 L A -0.1133
507 D A -2.3748
508 V A -1.8292
509 D A -2.9274
510 E A -2.7859
511 C A -1.7367
512 A A -1.0209
513 S A -0.7082
514 T A -0.8361
515 P A -0.6816
516 C A 0.0000
517 R A -2.6502
518 N A -2.7897
519 G A -2.2371
520 A A -2.7595
521 K A -2.9058
522 C A -2.0355
523 V A -1.9979
524 D A -3.4123
525 Q A -2.9612
526 P A -2.6099
527 D A -2.9399
528 G A -2.2221
529 Y A -2.1339
530 E A -2.2671
531 C A -2.2329
532 R A -2.8766
533 C A -2.9184
534 A A -1.9488
535 E A -1.8262
536 G A -1.1476
537 F A -2.4860
538 E A -3.2883
539 G A -2.0152
540 T A -1.3944
541 L A -1.6871
542 C A 0.0000
543 D A -3.6219
544 R A -3.7973
545 N A -2.4944
546 V A -1.7745
547 D A -2.0762
548 D A -1.1811
549 C A -1.5187
550 S A -1.5952
551 P A -1.5588
552 D A -2.6248
553 P A -1.9117
554 C A 0.0000
555 H A -2.5096
556 H A -1.9865
557 G A -1.7635
558 R A -2.0896
559 C A 0.0000
560 V A 0.5250
561 D A -0.4845
562 G A 0.5137
563 I A 1.1646
564 A A -0.0169
565 S A 0.2278
566 F A 0.2663
567 S A -0.0080
568 C A -0.9149
569 A A -0.3520
570 C A -0.9467
571 A A -0.8640
572 P A -0.7149
573 G A -1.0465
574 Y A -1.1296
575 T A -1.0276
576 G A -1.2801
577 T A -0.9706
578 R A -2.2106
579 C A 0.0000
580 E A -2.4885
581 S A -1.8010
582 Q A -1.8092
583 V A -1.7175
584 D A -2.5965
585 E A -2.8109
586 C A 0.0000
587 R A -3.0676
588 S A -2.0408
589 Q A -2.7172
590 P A -1.5432
591 C A -1.8136
592 R A -2.8136
593 H A -1.7064
594 G A -1.9932
595 G A -2.2555
596 K A -2.8571
597 C A 0.0000
598 L A -1.0759
599 D A -2.0731
600 L A -0.2691
601 V A -0.1959
602 D A -2.2646
603 K A -2.0000
604 Y A -0.8087
605 L A 0.3355
606 C A -0.9762
607 R A -2.0819
608 C A -1.3170
609 P A -1.2664
610 S A -0.4913
611 G A -0.7884
612 T A 0.0000
613 T A -0.0039
614 G A 0.2579
615 V A 1.3802
616 N A -0.5156
617 C A 0.0000
618 E A -0.6267
619 V A 0.5417
620 N A -0.7823
621 I A -0.5524
622 D A -2.3515
623 D A -2.8220
624 C A 0.0000
625 A A -1.0948
626 S A -1.1751
627 N A -1.2467
628 P A -0.3774
629 C A 0.0908
630 T A 0.6092
631 F A 1.3560
632 G A 0.7651
633 V A 1.2520
634 C A -0.5910
635 R A -2.6768
636 D A -2.6946
637 G A -2.0022
638 I A -0.5438
639 N A -2.0660
640 R A -3.0217
641 Y A -2.7380
642 D A -2.2821
643 C A -0.2851
644 V A 0.5969
645 C A 0.5032
646 Q A -0.9263
647 P A -1.2965
648 G A 0.0000
649 F A -0.5798
650 T A 0.1538
651 G A 0.3267
652 P A -0.1153
653 L A 0.7201
654 C A 0.0000
655 N A -0.2595
656 V A 0.6905
657 E A -1.5062
658 I A -0.9066
659 N A -1.7438
660 E A -1.5568
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1975 P A 0.0000
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1982 E A -2.3024
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1986 E A -1.4426
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1991 L A 0.0000
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1994 H A -0.9906
1995 F A -0.3439
1996 A A 0.0000
1997 N A -0.5360
1998 R A -0.7527
1999 E A -0.9186
2000 I A -0.7979
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2002 D A 0.0000
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2012 A A 0.0000
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2014 E A -3.2233
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2246 T A 0.8638
2247 P A -0.1014
2248 S A -0.8430
2249 P A -1.4424
2250 E A -2.5395
2251 S A -2.0099
2252 P A -1.8820
2253 E A -2.4487
2254 H A -1.4202
2255 W A 0.0479
2256 A A -0.1400
2257 S A -0.1777
2258 P A -0.3837
2259 S A -0.6115
2260 P A -0.6341
2261 P A -0.3840
2262 S A -0.3715
2263 L A 0.2852
2264 S A -0.4152
2265 D A -1.3752
2266 W A -0.2870
2267 S A -1.1612
2268 E A -2.0324
2269 S A -1.1293
2270 T A -0.9509
2271 P A -0.7352
2272 S A -0.4974
2273 P A -0.4158
2274 A A -0.1794
2275 T A -0.1789
2276 A A -0.1397
2277 T A -0.2747
2278 G A -0.2546
2279 A A 0.3554
2280 M A 1.0026
2281 A A 0.5453
2282 T A 0.1483
2283 T A -0.2372
2284 T A -0.3366
2285 G A -0.1920
2286 A A 0.5424
2287 L A 1.2472
2288 P A 0.1831
2289 A A -0.1257
2290 Q A -0.8224
2291 P A 0.0117
2292 L A 1.3871
2293 P A 1.1947
2294 L A 2.1177
2295 S A 1.4429
2296 V A 1.8545
2297 P A 0.5631
2298 S A 0.3274
2299 S A 0.4013
2300 L A 1.1553
2301 A A 0.1526
2302 Q A -1.0676
2303 A A -1.2124
2304 Q A -1.7292
2305 T A -0.8893
2306 Q A -0.8682
2307 L A 0.5336
2308 G A -0.4523
2309 P A -0.9593
2310 Q A -1.5907
2311 P A -1.4836
2312 E A -1.3488
2313 V A 0.3643
2314 T A -0.3853
2315 P A -1.2279
2316 K A -2.8920
2317 R A -3.0278
2318 Q A -1.1499
2319 V A 1.5278
2320 L A 2.2049
2321 A A 1.0916
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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 -0.0412 7.3665 View CSV PDB
4.5 -0.1245 7.3665 View CSV PDB
5.0 -0.225 7.3665 View CSV PDB
5.5 -0.3284 7.3665 View CSV PDB
6.0 -0.4221 7.3665 View CSV PDB
6.5 -0.4984 7.3665 View CSV PDB
7.0 -0.5576 7.3665 View CSV PDB
7.5 -0.6055 7.3665 View CSV PDB
8.0 -0.6458 7.3665 View CSV PDB
8.5 -0.6766 7.3665 View CSV PDB
9.0 -0.6944 7.3665 View CSV PDB