Project name: C606R

Status: done

Started: 2026-05-07 02:42:27
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLRRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:36)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:37)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:30:26)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/c112df6321c69fd/tmp/folded.pdb                (00:30:26)
[INFO]       Main:     Simulation completed successfully.                                          (01:08:13)
Show buried residues

Minimal score value
-4.7799
Maximal score value
5.6792
Average score
-0.7499
Total score value
-1740.5339

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 0.7129
2 G A -0.1949
3 P A -0.6311
4 G A -0.9658
5 A A -1.3437
6 R A -2.5337
7 G A -2.7081
8 R A -3.8432
9 R A -4.2220
10 R A -4.5592
11 R A -4.5344
12 R A -4.0786
13 R A -2.9637
14 P A -1.0702
15 M A 0.4098
16 S A 0.0882
17 P A -0.2871
18 P A -0.6150
19 P A -0.6095
20 P A -0.6283
21 P A -0.4380
22 P A -0.3585
23 P A -0.0033
24 V A 0.8654
25 R A -0.7124
26 A A 0.5611
27 L A 1.7966
28 P A 1.6431
29 L A 3.1967
30 L A 3.8902
31 L A 3.8464
32 L A 3.7025
33 L A 2.7740
34 A A 1.1162
35 G A -0.0145
36 P A -0.4576
37 G A -0.6626
38 A A -0.2912
39 A A -0.4499
40 A A -0.7127
41 P A -0.6346
42 P A -1.0290
43 C A -0.7283
44 L A 0.3944
45 D A -1.3520
46 G A -1.0744
47 S A -1.2085
48 P A -1.2210
49 C A -1.5982
50 A A -1.5475
51 N A -1.7606
52 G A -1.3469
53 G A 0.0000
54 R A -1.7201
55 C A 0.0000
56 T A -0.5622
57 Q A -1.2631
58 L A -0.8458
59 P A -1.0780
60 S A -1.6324
61 R A -2.8462
62 E A -2.7894
63 A A -1.7703
64 A A -1.3044
65 C A -0.9806
66 L A 0.4339
67 C A -0.4397
68 P A -0.1965
69 P A -0.4472
70 G A -1.0149
71 W A -0.9640
72 V A -0.9725
73 G A -1.2034
74 E A -2.3404
75 R A -2.6898
76 C A 0.0000
77 Q A -1.9595
78 L A -1.6166
79 E A -2.2934
80 D A -1.6070
81 P A -1.3533
82 C A -0.9224
83 H A -1.5499
84 S A -1.1463
85 G A -0.8509
86 P A -0.3730
87 C A -0.6967
88 A A -0.4815
89 G A -0.9490
90 R A -1.6402
91 G A -1.0221
92 V A 0.5498
93 C A -0.1191
94 Q A -0.4885
95 S A -0.4162
96 S A -0.0578
97 V A 0.6112
98 V A 1.5222
99 A A 0.6008
100 G A -0.2292
101 T A -0.1363
102 A A 0.0000
103 R A -1.3021
104 F A -0.5145
105 S A -0.7381
106 C A -0.8543
107 R A -1.6751
108 C A -1.0800
109 P A -1.2698
110 R A -1.7932
111 G A -0.3861
112 F A -0.2455
113 R A -0.6491
114 G A -0.5230
115 P A -0.7267
116 D A -0.7186
117 C A 0.0000
118 S A -0.1576
119 L A 0.5800
120 P A 0.1396
121 D A -0.1390
122 P A 0.0953
123 C A 0.2140
124 L A 0.5163
125 S A 0.1498
126 S A -0.2134
127 P A -0.4649
128 C A -1.2174
129 A A -1.6551
130 H A -1.7068
131 G A -1.2934
132 A A -1.5895
133 R A -1.9091
134 C A -0.4311
135 S A -0.2199
136 V A -0.0112
137 G A 0.0000
138 P A -1.1939
139 D A -2.1958
140 G A -1.3830
141 R A -1.6693
142 F A -0.5727
143 L A -0.1766
144 C A -0.8667
145 S A -0.9889
146 C A -1.3243
147 P A -0.7975
148 P A -0.5016
149 G A -0.8307
150 Y A -1.8237
151 Q A -2.4308
152 G A -2.4789
153 R A -2.4527
154 S A -1.9739
155 C A 0.0000
156 R A -2.9462
157 S A -2.3044
158 D A -1.9673
159 V A -1.2207
160 D A -1.1887
161 E A -1.4677
162 C A -1.4657
163 R A -1.7143
164 V A 0.1183
165 G A -1.0183
166 E A -2.3913
167 P A -1.6971
168 C A 0.0000
169 R A -3.0091
170 H A -2.1045
171 G A -1.7639
172 G A -1.7473
173 T A -1.3007
174 C A -1.4758
175 L A -0.7224
176 N A -1.2166
177 T A -0.8181
178 P A -0.9692
179 G A -1.1003
180 S A -0.8301
181 F A -0.9570
182 R A -1.8760
183 C A -1.6543
184 Q A -1.5513
185 C A -1.2587
186 P A -0.6372
187 A A 0.0289
188 G A 0.1534
189 Y A -0.5138
190 T A -0.6667
191 G A -0.9228
192 P A -1.0948
193 L A -1.3901
194 C A 0.0000
195 E A -1.7723
196 N A -1.5122
197 P A -0.4387
198 A A 0.4579
199 V A 1.2340
200 P A 0.0977
201 C A -0.1903
202 A A 0.3067
203 P A 0.0469
204 S A -0.6971
205 P A -1.1192
206 C A -2.0444
207 R A -2.7014
208 N A -1.8110
209 G A -1.2642
210 G A -1.4899
211 T A -1.2099
212 C A -1.8585
213 R A -2.9430
214 Q A -2.3937
215 S A -1.7906
216 G A -1.2621
217 D A -1.1531
218 L A 0.6179
219 T A -0.5452
220 Y A -1.6185
221 D A -2.8647
222 C A 0.0000
223 A A -0.9503
224 C A -0.7838
225 L A 0.0895
226 P A -0.0393
227 G A -0.4692
228 F A -0.9123
229 E A -1.9086
230 G A -1.8183
231 Q A -2.2360
232 N A -2.0697
233 C A 0.0000
234 E A -1.5415
235 V A -0.4812
236 N A -0.5316
237 V A -0.7711
238 D A -1.5732
239 D A -1.5669
240 C A -1.3229
241 P A -1.3077
242 G A -1.2994
243 H A -1.5416
244 R A -2.0046
245 C A -0.9527
246 L A 0.0485
247 N A -0.6967
248 G A -0.6109
249 G A -0.7722
250 T A -0.5320
251 C A -0.6312
252 V A -0.0211
253 D A -0.8010
254 G A -0.2218
255 V A 0.6665
256 N A -0.7580
257 T A -0.6810
258 Y A -1.2031
259 N A -1.6810
260 C A -1.2378
261 Q A -1.3270
262 C A -1.1501
263 P A -0.6578
264 P A -0.7317
265 E A -1.1346
266 W A -1.1519
267 T A -1.3791
268 G A -1.5284
269 Q A -1.9333
270 F A -1.3961
271 C A 0.0000
272 T A -1.2524
273 E A -2.0981
274 D A -1.3752
275 V A -0.8782
276 D A -0.8510
277 E A -0.8475
278 C A -0.7626
279 Q A -1.0761
280 L A -0.0032
281 Q A -1.4586
282 P A -1.4974
283 N A -2.1505
284 A A -1.4772
285 C A 0.0000
286 H A -2.0363
287 N A -1.6187
288 G A -0.9403
289 G A -0.1565
290 T A 0.6690
291 C A 0.4135
292 F A 1.5032
293 N A 0.0178
294 T A 0.3927
295 L A 0.7269
296 G A -0.4024
297 G A -0.2012
298 H A -0.3280
299 S A 0.1194
300 C A 0.6570
301 V A 1.9171
302 C A 0.4098
303 V A 0.6165
304 N A -0.3654
305 G A 0.0000
306 W A -0.4817
307 T A -0.8532
308 G A -1.2713
309 E A -2.0194
310 S A -1.5123
311 C A 0.0000
312 S A -1.6012
313 Q A -1.7912
314 N A -1.3153
315 I A -0.7992
316 D A -1.9775
317 D A -0.9887
318 C A -0.4063
319 A A -0.2158
320 T A 0.0316
321 A A 0.8665
322 V A 2.0923
323 C A 1.6627
324 F A 0.9642
325 H A -0.6439
326 G A -0.4601
327 A A 0.2398
328 T A 0.2764
329 C A 0.5130
330 H A -0.7374
331 D A -1.3138
332 R A -1.5112
333 V A -0.2448
334 A A -0.3847
335 S A -0.5046
336 F A 0.2589
337 Y A 1.3674
338 C A 0.0000
339 A A 0.6559
340 C A 0.5447
341 P A 0.1428
342 M A 0.7684
343 G A -0.1398
344 K A -1.0774
345 T A -0.7453
346 G A 0.3087
347 L A 2.2019
348 L A 1.7363
349 C A 0.0000
350 H A -0.2686
351 L A -1.1883
352 D A -2.2480
353 D A -1.6454
354 A A -1.3612
355 C A -0.5296
356 V A 0.4025
357 S A -0.2185
358 N A -1.0388
359 P A -1.0142
360 C A -1.2377
361 H A -2.2218
362 E A -2.8654
363 D A -2.3834
364 A A -0.8345
365 I A 1.0213
366 C A 0.0328
367 D A -1.1454
368 T A 0.0000
369 N A -1.0824
370 P A -0.3033
371 V A 0.8033
372 N A -1.1740
373 G A -1.9711
374 R A -2.4332
375 A A 0.0000
376 I A 0.2215
377 C A -0.0661
378 T A 0.4270
379 C A -0.2656
380 P A -0.3200
381 P A -0.4575
382 G A -0.7454
383 F A -1.3963
384 T A -1.2096
385 G A -1.4235
386 G A -0.9336
387 A A -1.0442
388 C A 0.0000
389 D A -3.0041
390 Q A -2.5907
391 D A -2.0055
392 V A -0.9157
393 D A -0.8110
394 E A -0.1854
395 C A -0.1160
396 S A 0.1680
397 I A 1.2617
398 G A 0.1891
399 A A -0.4545
400 N A -1.4714
401 P A -1.0234
402 C A 0.0000
403 E A -2.5527
404 H A -1.8192
405 L A -0.1733
406 G A 0.0000
407 R A -2.1684
408 C A 0.0000
409 V A 0.1631
410 N A -0.4151
411 T A -0.4534
412 Q A -1.6413
413 G A -1.0936
414 S A -0.2964
415 F A 0.4109
416 L A 0.7550
417 C A -0.8719
418 Q A -1.5355
419 C A -1.6757
420 G A -1.3926
421 R A -2.0657
422 G A -1.4143
423 Y A -1.4058
424 T A -1.6889
425 G A -1.5871
426 P A -1.3016
427 R A -2.4320
428 C A 0.0000
429 E A -2.5142
430 T A -1.8769
431 D A -2.1867
432 V A -1.1087
433 N A -1.0125
434 E A -1.1416
435 C A -0.2934
436 L A 0.8477
437 S A 0.0680
438 G A -0.4814
439 P A -0.3536
440 C A -0.6918
441 R A -2.0955
442 N A -2.0579
443 Q A -1.6854
444 A A -0.3410
445 T A 0.2492
446 C A 0.3415
447 L A -0.0147
448 D A -1.4213
449 R A -1.4469
450 I A -0.2619
451 G A 0.0000
452 Q A -1.5602
453 F A -0.5527
454 T A 0.2103
455 C A 0.9119
456 I A 2.0410
457 C A 1.0017
458 M A 0.4164
459 A A 0.4186
460 G A 0.0000
461 F A -0.1448
462 T A 0.0795
463 G A 0.1037
464 T A 0.3818
465 Y A 0.4570
466 C A 0.0000
467 E A -0.8451
468 V A -0.2143
469 D A -1.6968
470 I A -1.2337
471 D A -2.9581
472 E A -2.4315
473 C A -1.9174
474 Q A -2.0909
475 S A -1.2241
476 S A -0.4166
477 P A 0.0572
478 C A 0.3255
479 V A 0.5884
480 N A -0.7028
481 G A -0.2384
482 G A 0.3798
483 V A 1.2453
484 C A -0.4453
485 K A -2.1644
486 D A -3.4228
487 R A -2.7452
488 V A -0.4534
489 N A -1.3602
490 G A -1.2848
491 F A -1.3150
492 S A -0.6445
493 C A 0.2288
494 T A 0.3033
495 C A 0.3649
496 P A -0.3676
497 S A -0.9896
498 G A -1.8523
499 F A -1.0534
500 S A -0.4386
501 G A -0.5452
502 S A -0.2302
503 T A 0.0695
504 C A 0.0000
505 Q A -0.9565
506 L A -0.2610
507 D A -2.3629
508 V A -1.7692
509 D A -2.6880
510 E A -2.5166
511 C A -1.4067
512 A A -0.8858
513 S A -0.7098
514 T A -0.9123
515 P A -0.7055
516 C A 0.0000
517 R A -2.7926
518 N A -2.8973
519 G A -2.2535
520 A A -2.7405
521 K A -2.7556
522 C A -1.7564
523 V A -1.4421
524 D A -2.3058
525 Q A -2.3941
526 P A -2.3788
527 D A -2.7910
528 G A -1.9207
529 Y A -1.5912
530 E A -1.8872
531 C A -2.0213
532 R A -2.8058
533 C A -2.7710
534 A A -1.8823
535 E A -1.8029
536 G A -0.9624
537 F A -2.1599
538 E A -2.8757
539 G A -1.8381
540 T A -1.3579
541 L A -1.7682
542 C A 0.0000
543 D A -3.4941
544 R A -3.5330
545 N A -2.0961
546 V A -1.4138
547 D A -2.1072
548 D A -1.4005
549 C A -1.6965
550 S A -1.6258
551 P A -1.5790
552 D A -2.7031
553 P A -1.9498
554 C A 0.0000
555 H A -2.5897
556 H A -2.0097
557 G A -1.8696
558 R A -2.2067
559 C A -1.2351
560 V A -0.0853
561 D A -0.7980
562 G A 0.3727
563 I A 1.2279
564 A A 0.0153
565 S A 0.0858
566 F A -0.0879
567 S A -0.2812
568 C A -1.1265
569 A A -0.5509
570 C A -0.9826
571 A A -0.7844
572 P A -0.3915
573 G A -0.7363
574 Y A -0.9254
575 T A -0.9396
576 G A -1.2537
577 T A -1.0592
578 R A -2.3758
579 C A 0.0000
580 E A -2.6587
581 S A -1.7017
582 Q A -1.1720
583 V A -1.1390
584 D A -2.1981
585 E A -2.1566
586 C A -2.4667
587 R A -2.7715
588 S A -1.9385
589 Q A -2.7247
590 P A -1.8219
591 C A 0.0000
592 R A -2.8725
593 H A -1.7454
594 G A -2.0528
595 G A -2.7524
596 K A -3.2211
597 C A -2.3346
598 L A -1.0812
599 D A -1.3621
600 L A -0.0356
601 V A 0.1498
602 D A -1.9574
603 K A -1.7013
604 Y A -0.9336
605 L A -0.4661
606 R A -2.4889
607 R A -2.8402
608 C A -1.8551
609 P A -1.4634
610 S A -0.4839
611 G A -0.5713
612 T A 0.0000
613 T A 0.1634
614 G A 0.4586
615 V A 0.9406
616 N A -1.0563
617 C A 0.0000
618 E A -0.6508
619 V A 0.5593
620 N A -0.6689
621 I A 0.0950
622 D A -2.0128
623 D A -2.6691
624 C A 0.0000
625 A A -1.0278
626 S A -1.2219
627 N A -1.1566
628 P A -0.4763
629 C A -0.0650
630 T A 0.3263
631 F A 0.9427
632 G A 0.6414
633 V A 1.1979
634 C A -0.6177
635 R A -2.4542
636 D A -2.4271
637 G A -1.8350
638 I A -0.6389
639 N A -1.9701
640 R A -2.9663
641 Y A -2.5530
642 D A -2.2032
643 C A -0.3432
644 V A 0.5155
645 C A 0.4005
646 Q A -0.7671
647 P A -1.2508
648 G A 0.0000
649 F A -0.7791
650 T A 0.0432
651 G A 0.0279
652 P A -0.3215
653 L A 0.4548
654 C A 0.0000
655 N A -0.6690
656 V A 0.0364
657 E A -1.7338
658 I A -1.0074
659 N A -1.9000
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1998 R A -1.3937
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2244 Y A 1.4819
2245 L A 1.9172
2246 T A 0.8530
2247 P A -0.1507
2248 S A -0.9749
2249 P A -1.4228
2250 E A -2.4027
2251 S A -1.9863
2252 P A -1.8430
2253 E A -2.4781
2254 H A -1.4667
2255 W A 0.2408
2256 A A 0.0526
2257 S A -0.1042
2258 P A -0.5242
2259 S A -0.5835
2260 P A -0.5971
2261 P A -0.2139
2262 S A 0.3042
2263 L A 1.0083
2264 S A -0.0305
2265 D A -1.1838
2266 W A -0.2022
2267 S A -0.9928
2268 E A -1.9814
2269 S A -1.2162
2270 T A -0.8423
2271 P A -0.6990
2272 S A -0.4787
2273 P A -0.4037
2274 A A -0.1900
2275 T A -0.1089
2276 A A -0.1285
2277 T A -0.2758
2278 G A -0.2067
2279 A A 0.3008
2280 M A 0.9843
2281 A A 0.5731
2282 T A 0.0997
2283 T A -0.1194
2284 T A -0.2051
2285 G A -0.1478
2286 A A 0.5112
2287 L A 1.1895
2288 P A 0.1521
2289 A A -0.1745
2290 Q A -0.8773
2291 P A -0.0312
2292 L A 1.4328
2293 P A 1.2060
2294 L A 2.1446
2295 S A 1.4722
2296 V A 1.8648
2297 P A 0.5921
2298 S A 0.2271
2299 S A 0.4946
2300 L A 1.1600
2301 A A 0.2139
2302 Q A -1.1067
2303 A A -1.2724
2304 Q A -1.7665
2305 T A -1.1601
2306 Q A -0.8397
2307 L A 0.6332
2308 G A -0.3264
2309 P A -0.9709
2310 Q A -1.7807
2311 P A -1.5053
2312 E A -1.4552
2313 V A 0.4035
2314 T A -0.5308
2315 P A -1.5290
2316 K A -2.6829
2317 R A -2.6730
2318 Q A -1.2843
2319 V A 1.2584
2320 L A 1.8564
2321 A A 1.1230
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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 -0.0663 7.2715 View CSV PDB
4.5 -0.1494 7.2032 View CSV PDB
5.0 -0.2502 7.1027 View CSV PDB
5.5 -0.3546 7.0252 View CSV PDB
6.0 -0.4504 7.0252 View CSV PDB
6.5 -0.5298 7.0252 View CSV PDB
7.0 -0.5921 7.0252 View CSV PDB
7.5 -0.6425 7.0252 View CSV PDB
8.0 -0.6847 7.0252 View CSV PDB
8.5 -0.7171 7.0252 View CSV PDB
9.0 -0.7364 7.0252 View CSV PDB