Project name: R1076C

Status: done

Started: 2026-05-09 14:42:33
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGCTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:35)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:35)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:35:00)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/47830fb205d173d/tmp/folded.pdb                (00:35:00)
[INFO]       Main:     Simulation completed successfully.                                          (01:09:41)
Show buried residues

Minimal score value
-4.9211
Maximal score value
5.5516
Average score
-0.7416
Total score value
-1721.2308

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 0.7134
2 G A -0.1944
3 P A -0.6288
4 G A -0.9635
5 A A -1.3416
6 R A -2.5325
7 G A -2.6783
8 R A -3.8110
9 R A -4.3298
10 R A -4.5549
11 R A -4.5061
12 R A -4.1415
13 R A -2.9626
14 P A -1.1038
15 M A 0.3938
16 S A 0.0815
17 P A -0.2940
18 P A -0.6145
19 P A -0.6108
20 P A -0.6235
21 P A -0.4427
22 P A -0.3680
23 P A 0.0218
24 V A 0.8627
25 R A -0.6844
26 A A 0.4961
27 L A 1.7201
28 P A 1.7228
29 L A 3.1871
30 L A 3.7924
31 L A 3.8846
32 L A 3.6863
33 L A 2.7914
34 A A 1.0667
35 G A -0.0113
36 P A -0.4805
37 G A -0.6585
38 A A -0.2831
39 A A -0.3993
40 A A -0.5453
41 P A -0.4812
42 P A -0.9226
43 C A -0.6058
44 L A 0.4163
45 D A -1.3263
46 G A -1.0452
47 S A -1.1382
48 P A -1.0586
49 C A -1.3860
50 A A -1.3875
51 N A -1.6669
52 G A -1.2810
53 G A 0.0000
54 R A -1.6665
55 C A 0.0000
56 T A -0.5568
57 Q A -1.2582
58 L A -0.7672
59 P A -1.0425
60 S A -1.5904
61 R A -2.8174
62 E A -2.7491
63 A A -1.4826
64 A A -1.1944
65 C A -0.8239
66 L A 0.5046
67 C A -0.3469
68 P A -0.1979
69 P A -0.4476
70 G A -1.0130
71 W A -0.9014
72 V A -0.8729
73 G A -1.0316
74 E A -2.0882
75 R A -2.1545
76 C A 0.0000
77 Q A -1.7763
78 L A -1.5278
79 E A -2.2850
80 D A -1.6630
81 P A -1.4216
82 C A -1.0415
83 H A -1.6478
84 S A -1.1467
85 G A -0.8541
86 P A -0.4080
87 C A -0.8134
88 A A -0.6010
89 G A -1.1654
90 R A -1.9061
91 G A -1.1355
92 V A 0.3982
93 C A -0.3640
94 Q A -1.0681
95 S A -0.6632
96 S A -0.1868
97 V A 0.5857
98 V A 1.5421
99 A A 0.6141
100 G A -0.2365
101 T A -0.1334
102 A A 0.0000
103 R A -1.3609
104 F A -0.7094
105 S A -0.9221
106 C A -0.9919
107 R A -1.7511
108 C A -1.0999
109 P A -1.2834
110 R A -1.8854
111 G A 0.0000
112 F A -0.1555
113 R A -0.5712
114 G A -0.5424
115 P A -0.7369
116 D A -0.7616
117 C A 0.0000
118 S A -0.1150
119 L A 0.4091
120 P A 0.1367
121 D A -0.0537
122 P A 0.2119
123 C A 0.4664
124 L A 0.8646
125 S A 0.3209
126 S A -0.0850
127 P A -0.3120
128 C A -1.0995
129 A A -1.6358
130 H A -1.7041
131 G A -1.2763
132 A A -1.5109
133 R A -1.7804
134 C A -0.1102
135 S A -0.0073
136 V A 0.1449
137 G A -0.5550
138 P A -1.1927
139 D A -2.2368
140 G A -1.4787
141 R A -1.8620
142 F A -0.3578
143 L A 0.3139
144 C A -0.6184
145 S A -0.8601
146 C A -1.2631
147 P A -0.8084
148 P A -0.5123
149 G A -0.9219
150 Y A -1.8722
151 Q A -2.4694
152 G A -2.4974
153 R A -2.3377
154 S A -1.8549
155 C A 0.0000
156 R A -2.9690
157 S A -2.3592
158 D A -2.0722
159 V A -1.3069
160 D A -1.2518
161 E A -1.4592
162 C A -1.4240
163 R A -1.6927
164 V A 0.1373
165 G A -0.9871
166 E A -2.3682
167 P A -1.7647
168 C A 0.0000
169 R A -3.0122
170 H A -2.1100
171 G A -1.7226
172 G A -1.7433
173 T A -1.2858
174 C A -1.4429
175 L A -0.6613
176 N A -1.1996
177 T A -0.8200
178 P A -1.0057
179 G A -1.1356
180 S A -0.8432
181 F A -0.9457
182 R A -1.8523
183 C A -1.6394
184 Q A -1.5399
185 C A -1.2646
186 P A -0.6372
187 A A 0.0299
188 G A 0.1370
189 Y A -0.3670
190 T A -0.6533
191 G A -0.9228
192 P A -1.0969
193 L A -1.3909
194 C A 0.0000
195 E A -1.7179
196 N A -1.4985
197 P A -0.2991
198 A A 0.4605
199 V A 1.2569
200 P A 0.0330
201 C A -0.2015
202 A A 0.3307
203 P A 0.0641
204 S A -0.6461
205 P A -0.9933
206 C A -2.0039
207 R A -2.6356
208 N A -1.8056
209 G A -1.2664
210 G A -1.4606
211 T A -1.1741
212 C A -1.8327
213 R A -2.9449
214 Q A -2.4141
215 S A -1.8211
216 G A -1.3093
217 D A -1.2263
218 L A 0.4609
219 T A -0.6431
220 Y A -1.6640
221 D A -2.8601
222 C A 0.0000
223 A A -0.9374
224 C A -0.7755
225 L A 0.1511
226 P A 0.0019
227 G A -0.4747
228 F A -0.9035
229 E A -2.0849
230 G A -1.8375
231 Q A -2.2585
232 N A -2.1422
233 C A 0.0000
234 E A -1.7773
235 V A -0.5993
236 N A -0.5821
237 V A -0.7360
238 D A -1.8636
239 D A -1.8775
240 C A -1.5144
241 P A -1.3988
242 G A -1.3679
243 H A -1.6454
244 R A -2.0262
245 C A 0.0000
246 L A 0.0738
247 N A -0.6859
248 G A -0.6150
249 G A -0.8080
250 T A -0.6120
251 C A -0.7974
252 V A -0.2611
253 D A -0.9637
254 G A -0.2731
255 V A 0.6596
256 N A -0.8160
257 T A -0.7716
258 Y A -1.3696
259 N A -1.8161
260 C A -1.3066
261 Q A -1.3829
262 C A -1.1468
263 P A -0.6691
264 P A -0.7719
265 E A -1.3066
266 W A -1.2505
267 T A -1.4187
268 G A -1.5941
269 Q A -1.9053
270 F A -1.3906
271 C A 0.0000
272 T A -1.2155
273 E A -2.1481
274 D A -1.5565
275 V A -1.1685
276 D A -1.3679
277 E A -1.1139
278 C A -0.8845
279 Q A -1.2127
280 L A -0.1389
281 Q A -1.5402
282 P A -1.5055
283 N A -2.1706
284 A A -1.3359
285 C A 0.0000
286 H A -2.1322
287 N A -1.6999
288 G A -0.9790
289 G A -0.1770
290 T A 0.6975
291 C A 0.4253
292 F A 1.5777
293 N A -0.0194
294 T A 0.3579
295 L A 0.6351
296 G A -0.5082
297 G A -0.2916
298 H A -0.3467
299 S A 0.1954
300 C A 0.6972
301 V A 1.9401
302 C A 0.3734
303 V A 0.5734
304 N A -0.3995
305 G A 0.0000
306 W A -0.5709
307 T A -0.7268
308 G A -1.3176
309 E A -2.0275
310 S A -1.5271
311 C A 0.0000
312 S A -1.6617
313 Q A -1.9663
314 N A -1.4053
315 I A -0.8613
316 D A -2.0280
317 D A -1.0039
318 C A -0.4231
319 A A -0.2781
320 T A -0.0057
321 A A 0.7922
322 V A 1.9355
323 C A 1.5739
324 F A 0.9318
325 H A -0.6506
326 G A -0.4676
327 A A 0.2168
328 T A 0.2608
329 C A 0.4911
330 H A -0.7333
331 D A -1.3310
332 R A -1.5809
333 V A -0.2971
334 A A -0.4765
335 S A -0.5481
336 F A 0.2063
337 Y A 1.3164
338 C A 0.0000
339 A A 0.7388
340 C A 0.5519
341 P A 0.1455
342 M A 0.8129
343 G A -0.0306
344 K A -0.9635
345 T A -0.4031
346 G A 0.7558
347 L A 2.3996
348 L A 1.9031
349 C A 0.0000
350 H A -0.0019
351 L A -1.0419
352 D A -2.2510
353 D A -1.4400
354 A A -1.2669
355 C A -0.4627
356 V A 0.7285
357 S A -0.0630
358 N A -1.1283
359 P A -0.9375
360 C A -1.3782
361 H A -2.2104
362 E A -2.8902
363 D A -2.4038
364 A A -0.9476
365 I A 0.8637
366 C A -0.1595
367 D A -1.3929
368 T A 0.0000
369 N A 0.0000
370 P A 0.0234
371 V A 1.1259
372 N A -1.2003
373 G A -1.8914
374 R A -2.4811
375 A A -1.3572
376 I A -0.6302
377 C A -0.4624
378 T A 0.1296
379 C A -0.3516
380 P A -0.3392
381 P A -0.5245
382 G A -0.9779
383 F A -1.5031
384 T A -1.4066
385 G A -1.6172
386 G A -1.2312
387 A A -1.3260
388 C A 0.0000
389 D A -2.9217
390 Q A -2.5394
391 D A -2.0802
392 V A -1.2978
393 D A -1.4772
394 E A -0.9624
395 C A -0.4905
396 S A -0.2517
397 I A 0.9824
398 G A 0.0955
399 A A -0.5393
400 N A -1.5444
401 P A -1.0577
402 C A 0.0000
403 E A -2.1801
404 H A -1.1621
405 L A 0.0866
406 G A 0.0000
407 R A -2.0831
408 C A 0.0000
409 V A 0.0082
410 N A -0.6613
411 T A -0.5915
412 Q A -1.6256
413 G A -1.4479
414 S A -0.5161
415 F A 0.1645
416 L A 0.7609
417 C A 0.0000
418 Q A -1.4700
419 C A -1.4234
420 G A -1.1008
421 R A -1.6990
422 G A -0.5614
423 Y A -0.5105
424 T A -0.9668
425 G A -1.1288
426 P A -0.9544
427 R A -1.9589
428 C A 0.0000
429 E A -0.9690
430 T A -0.6110
431 D A -0.1753
432 V A -0.0030
433 N A -0.0409
434 E A -0.3182
435 C A 0.0123
436 L A 0.9939
437 S A 0.0794
438 G A -0.4971
439 P A -0.4125
440 C A -0.7998
441 R A -2.1620
442 N A -1.8993
443 Q A -1.6616
444 A A -0.3782
445 T A 0.3315
446 C A 0.5378
447 L A 0.1784
448 D A 0.0000
449 R A -0.3200
450 I A 0.7816
451 G A 0.0000
452 Q A -0.9574
453 F A 0.0877
454 T A 0.4841
455 C A 0.9796
456 I A 2.1212
457 C A 0.9974
458 M A 0.3390
459 A A 0.4174
460 G A 0.0000
461 F A -0.0690
462 T A 0.1093
463 G A 0.0463
464 T A 0.2827
465 Y A 0.2489
466 C A 0.0000
467 E A -1.0381
468 V A -0.2449
469 D A -1.6750
470 I A -1.0630
471 D A -2.8568
472 E A -2.8992
473 C A -2.1354
474 Q A -2.1559
475 S A -1.3295
476 S A -0.5051
477 P A -0.0643
478 C A 0.3077
479 V A 0.6071
480 N A -0.7149
481 G A -0.2455
482 G A 0.3677
483 V A 1.2191
484 C A -0.5785
485 K A -2.3145
486 D A -3.5887
487 R A -2.8628
488 V A -0.5691
489 N A -1.4357
490 G A -1.4689
491 F A -1.6687
492 S A -0.8713
493 C A 0.1522
494 T A 0.3454
495 C A 0.3819
496 P A -0.3723
497 S A -1.1053
498 G A -2.0397
499 F A -1.1407
500 S A -0.6068
501 G A -0.5035
502 S A -0.2222
503 T A 0.0696
504 C A 0.0000
505 Q A -0.9441
506 L A -0.2681
507 D A -2.4750
508 V A -1.9183
509 D A -2.9234
510 E A -2.7304
511 C A -1.7357
512 A A -1.0035
513 S A -0.6884
514 T A -0.9037
515 P A 0.0000
516 C A 0.0000
517 R A -3.1416
518 N A -3.0080
519 G A -2.3196
520 A A -2.8596
521 K A -2.9318
522 C A 0.0000
523 V A -1.9797
524 D A -3.4508
525 Q A -3.0802
526 P A -2.6466
527 D A -2.9564
528 G A -2.2579
529 Y A -2.1982
530 E A -2.4552
531 C A -2.3752
532 R A -3.0748
533 C A -2.9661
534 A A -1.9512
535 E A -1.8660
536 G A 0.0000
537 F A -2.3859
538 E A -3.2161
539 G A -2.2081
540 T A -1.5196
541 L A -1.9959
542 C A 0.0000
543 D A -3.6408
544 R A -3.5141
545 N A -2.2403
546 V A -1.7091
547 D A -2.3201
548 D A -1.5095
549 C A -1.7758
550 S A -1.6645
551 P A -1.5950
552 D A -2.7359
553 P A -1.7913
554 C A 0.0000
555 H A -2.6325
556 H A -2.1090
557 G A -1.9378
558 R A -2.2373
559 C A -1.4945
560 V A -0.2136
561 D A -0.8421
562 G A 0.3542
563 I A 1.0360
564 A A 0.0310
565 S A 0.0834
566 F A -0.1325
567 S A -0.3189
568 C A -1.1754
569 A A -0.5268
570 C A -1.1958
571 A A -0.9404
572 P A -0.7018
573 G A 0.0000
574 Y A -1.2191
575 T A -1.2111
576 G A -1.3645
577 T A -1.1036
578 R A -2.4626
579 C A 0.0000
580 E A -2.8343
581 S A -1.9578
582 Q A -1.5513
583 V A -1.5020
584 D A -2.6887
585 E A -2.2900
586 C A -2.3135
587 R A -2.9378
588 S A -1.9382
589 Q A -2.6007
590 P A -1.4348
591 C A -1.7552
592 R A -2.8287
593 H A -1.9319
594 G A -2.1745
595 G A -2.2763
596 K A -2.7535
597 C A -1.6797
598 L A -0.9344
599 D A -1.8162
600 L A -0.2358
601 V A 0.0051
602 D A -2.0824
603 K A -1.7875
604 Y A -0.6709
605 L A 0.6148
606 C A -0.8943
607 R A -2.0362
608 C A -1.3016
609 P A -1.3366
610 S A -0.5267
611 G A -0.7597
612 T A 0.0000
613 T A 0.1871
614 G A 0.4882
615 V A 1.4770
616 N A -0.4255
617 C A 0.0000
618 E A -0.5847
619 V A 0.6334
620 N A -0.7207
621 I A -0.0794
622 D A -2.1161
623 D A -2.8180
624 C A 0.0000
625 A A -1.0644
626 S A -1.2373
627 N A -1.1576
628 P A -0.4902
629 C A -0.1013
630 T A 0.3717
631 F A 1.0106
632 G A 0.3910
633 V A 0.7182
634 C A -0.8041
635 R A -2.5553
636 D A -2.6100
637 G A -2.0735
638 I A -0.9827
639 N A -2.2084
640 R A -3.1218
641 Y A -2.5909
642 D A -2.2319
643 C A -0.3994
644 V A 0.5271
645 C A 0.1710
646 Q A -0.9569
647 P A -1.3941
648 G A -1.8140
649 F A -0.6157
650 T A 0.2504
651 G A 0.2987
652 P A -0.1429
653 L A 0.5893
654 C A 0.0000
655 N A -0.3251
656 V A 0.6500
657 E A -1.6433
658 I A -1.1358
659 N A -1.9972
660 E A -2.3258
661 C A -0.9948
662 A A -0.6429
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1969 D A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
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1980 A A 0.0000
1981 R A -2.4065
1982 E A -2.2811
1983 G A -1.6341
1984 S A 0.0000
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1986 E A -1.7576
1987 A A 0.0000
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1989 K A -1.6197
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1991 L A 0.0000
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1993 D A -1.3559
1994 H A -0.3781
1995 F A 0.6549
1996 A A 0.0000
1997 N A -0.8406
1998 R A -1.4793
1999 E A -2.0813
2000 I A -1.0425
2001 T A -1.3498
2002 D A 0.0000
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2008 P A 0.0000
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2010 D A -2.7234
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.2228
2015 R A -3.0189
2016 L A -0.8964
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2018 Q A -2.3941
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2248 S A -0.8208
2249 P A -1.4467
2250 E A -2.5587
2251 S A -2.0239
2252 P A -1.9004
2253 E A -2.5026
2254 H A -1.4206
2255 W A 0.1376
2256 A A 0.0982
2257 S A 0.2132
2258 P A 0.1480
2259 S A -0.1016
2260 P A -0.2390
2261 P A 0.2205
2262 S A 0.0611
2263 L A 0.8111
2264 S A -0.1768
2265 D A -0.9040
2266 W A -0.1021
2267 S A -0.6374
2268 E A -1.8367
2269 S A -0.8370
2270 T A -0.8906
2271 P A -0.7233
2272 S A -0.7085
2273 P A -0.3434
2274 A A -0.6562
2275 T A -0.7704
2276 A A -1.0497
2277 T A -1.0648
2278 G A -0.5538
2279 A A 0.3276
2280 M A 0.9655
2281 A A 0.4684
2282 T A 0.1619
2283 T A -0.1162
2284 T A -0.1502
2285 G A -0.1618
2286 A A 0.5141
2287 L A 1.2129
2288 P A 0.1551
2289 A A -0.0970
2290 Q A -0.8032
2291 P A 0.0281
2292 L A 1.5079
2293 P A 1.5406
2294 L A 1.9703
2295 S A 1.6299
2296 V A 1.7815
2297 P A 0.3805
2298 S A 0.2086
2299 S A 0.3986
2300 L A 1.1714
2301 A A 0.2687
2302 Q A -1.0984
2303 A A -1.3447
2304 Q A -1.6086
2305 T A -0.8873
2306 Q A -0.8953
2307 L A 0.3966
2308 G A -0.4821
2309 P A -0.9655
2310 Q A -1.5425
2311 P A -1.4300
2312 E A -1.3333
2313 V A 0.3613
2314 T A -0.4369
2315 P A -1.3575
2316 K A -2.9160
2317 R A -3.0311
2318 Q A -1.3029
2319 V A 1.5868
2320 L A 2.2025
2321 A A 1.0816
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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 -0.0622 8.5248 View CSV PDB
4.5 -0.1452 8.4974 View CSV PDB
5.0 -0.2462 8.4467 View CSV PDB
5.5 -0.351 8.3769 View CSV PDB
6.0 -0.447 8.2999 View CSV PDB
6.5 -0.5265 8.2275 View CSV PDB
7.0 -0.5889 8.1718 View CSV PDB
7.5 -0.6394 8.1396 View CSV PDB
8.0 -0.6814 8.1257 View CSV PDB
8.5 -0.7139 8.1207 View CSV PDB
9.0 -0.7335 8.1191 View CSV PDB