Project name: R607C

Status: done

Started: 2026-05-08 07:40:34
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCCCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:32)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:28:09)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/92be1b453e9342b/tmp/folded.pdb                (00:28:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:59:10)
Show buried residues

Minimal score value
-4.6646
Maximal score value
6.0278
Average score
-0.7519
Total score value
-1745.2758

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 0.7135
2 G A -0.1963
3 P A -0.6341
4 G A -0.9669
5 A A -1.3425
6 R A -2.5447
7 G A -2.6991
8 R A -3.8079
9 R A -4.5283
10 R A -4.5812
11 R A -4.6139
12 R A -4.4636
13 R A -3.0768
14 P A -1.1033
15 M A 0.3077
16 S A -0.1211
17 P A -0.3188
18 P A -0.6199
19 P A -0.6209
20 P A -0.6502
21 P A -0.4202
22 P A -0.3449
23 P A -0.0664
24 V A 0.8576
25 R A -0.6975
26 A A 0.5318
27 L A 1.8322
28 P A 1.6744
29 L A 3.2603
30 L A 3.8139
31 L A 3.8375
32 L A 3.6309
33 L A 2.7383
34 A A 1.1178
35 G A -0.0264
36 P A -0.4449
37 G A -0.6570
38 A A -0.2847
39 A A -0.4166
40 A A -0.8273
41 P A -0.3240
42 P A -0.9780
43 C A -0.5934
44 L A 0.4038
45 D A -1.2927
46 G A -0.9460
47 S A -1.0913
48 P A -1.1175
49 C A -1.5596
50 A A -1.6413
51 N A -1.7715
52 G A -1.3331
53 G A 0.0000
54 R A -1.6629
55 C A -0.7851
56 T A -0.8331
57 Q A -1.7454
58 L A -1.0789
59 P A -1.2078
60 S A -1.7231
61 R A -2.9662
62 E A -2.9009
63 A A -1.6486
64 A A -1.3172
65 C A -0.9861
66 L A 0.5537
67 C A -0.2588
68 P A -0.1790
69 P A -0.4441
70 G A -0.9848
71 W A -1.0198
72 V A -1.0343
73 G A -1.2783
74 E A -2.3414
75 R A -2.6393
76 C A 0.0000
77 Q A -2.4162
78 L A -1.7648
79 E A -2.3878
80 D A -1.7254
81 P A -1.4363
82 C A -1.0643
83 H A -1.6469
84 S A -1.1433
85 G A -0.8688
86 P A -0.4042
87 C A -0.7819
88 A A -0.5781
89 G A -1.0693
90 R A -1.9819
91 G A -1.1523
92 V A 0.4018
93 C A -0.3555
94 Q A -1.1425
95 S A -0.7024
96 S A -0.2249
97 V A 0.5945
98 V A 1.5248
99 A A 0.6028
100 G A -0.2931
101 T A -0.2052
102 A A 0.0000
103 R A -1.4640
104 F A -0.7718
105 S A -0.9560
106 C A -0.9808
107 R A -1.7915
108 C A -1.1793
109 P A -1.4011
110 R A -2.0425
111 G A -0.5386
112 F A -0.4988
113 R A -0.6989
114 G A -0.5696
115 P A -0.7389
116 D A -0.7600
117 C A 0.0000
118 S A -0.1249
119 L A 0.3747
120 P A 0.0150
121 D A -0.2650
122 P A 0.0167
123 C A 0.1650
124 L A 0.3681
125 S A 0.0864
126 S A -0.2498
127 P A -0.4411
128 C A -1.1790
129 A A -1.6695
130 H A -1.7615
131 G A -1.3248
132 A A -1.5968
133 R A -1.8919
134 C A -0.3553
135 S A -0.0967
136 V A 0.1613
137 G A 0.0000
138 P A -1.1667
139 D A -2.2095
140 G A -1.4293
141 R A -1.7921
142 F A -0.5257
143 L A 0.0497
144 C A -0.7575
145 S A -0.9620
146 C A -1.3676
147 P A -0.8487
148 P A -0.5218
149 G A -0.9078
150 Y A -1.8641
151 Q A -2.4475
152 G A -2.4817
153 R A -2.3877
154 S A 0.0000
155 C A 0.0000
156 R A -2.9627
157 S A -2.3285
158 D A -2.0113
159 V A -1.1777
160 D A -1.1336
161 E A -1.4463
162 C A -1.4337
163 R A -1.7456
164 V A 0.1369
165 G A -1.0158
166 E A -2.3828
167 P A -1.7911
168 C A 0.0000
169 R A -3.0728
170 H A -2.1720
171 G A -1.7159
172 G A -1.7747
173 T A -1.2906
174 C A -1.4609
175 L A -0.5492
176 N A -1.2103
177 T A 0.0000
178 P A -0.9875
179 G A -1.1182
180 S A -0.8391
181 F A -0.9534
182 R A -1.8739
183 C A -1.6285
184 Q A -1.5403
185 C A -1.2819
186 P A -0.6405
187 A A 0.0246
188 G A 0.0564
189 Y A -0.4794
190 T A -0.7436
191 G A -0.9404
192 P A -1.0899
193 L A -1.3832
194 C A 0.0000
195 E A -1.9598
196 N A -1.6419
197 P A -0.4538
198 A A 0.2336
199 V A 0.8624
200 P A -0.0951
201 C A -0.2988
202 A A 0.2204
203 P A -0.0128
204 S A -0.7227
205 P A -1.1067
206 C A -2.0894
207 R A -2.8313
208 N A -1.9645
209 G A -1.3270
210 G A -1.5242
211 T A -1.2008
212 C A -1.8284
213 R A -2.9145
214 Q A -2.4327
215 S A -1.7938
216 G A -1.3348
217 D A -1.2893
218 L A 0.3865
219 T A -0.6510
220 Y A -1.6289
221 D A -2.7962
222 C A 0.0000
223 A A -0.9415
224 C A -0.8312
225 L A 0.1158
226 P A -0.0259
227 G A -0.5104
228 F A -1.0688
229 E A -2.2584
230 G A -1.9942
231 Q A -2.3076
232 N A -2.1744
233 C A 0.0000
234 E A -1.9016
235 V A -0.7857
236 N A -0.7416
237 V A -0.9707
238 D A -1.8462
239 D A -1.6033
240 C A -1.3942
241 P A -1.3319
242 G A -1.3099
243 H A -1.5739
244 R A -2.1026
245 C A 0.0000
246 L A 0.0819
247 N A -0.8362
248 G A -0.5959
249 G A -0.7900
250 T A -0.5901
251 C A -0.7206
252 V A -0.1675
253 D A -0.9001
254 G A -0.2672
255 V A 0.6641
256 N A -0.7083
257 T A -0.6767
258 Y A -1.2296
259 N A -1.7768
260 C A -1.2907
261 Q A -1.3651
262 C A -1.1287
263 P A -0.6286
264 P A -0.8018
265 E A -1.2278
266 W A -1.1604
267 T A -1.3970
268 G A -1.6576
269 Q A -1.9474
270 F A -1.3997
271 C A 0.0000
272 T A -1.2338
273 E A -2.1149
274 D A -1.4395
275 V A -1.0999
276 D A -1.3612
277 E A -1.0683
278 C A -0.9014
279 Q A -1.2211
280 L A -0.1320
281 Q A -1.5331
282 P A -1.5045
283 N A -2.1606
284 A A -1.3420
285 C A 0.0000
286 H A -2.1690
287 N A -1.7456
288 G A -1.3347
289 G A -0.4468
290 T A 0.2556
291 C A 0.4066
292 F A 1.5570
293 N A -0.0854
294 T A 0.3658
295 L A 0.6734
296 G A -0.4506
297 G A -0.2613
298 H A -0.3814
299 S A 0.1674
300 C A 0.6243
301 V A 1.8347
302 C A 0.1399
303 V A 0.0159
304 N A -0.6591
305 G A 0.0000
306 W A -0.5882
307 T A -0.9343
308 G A -1.2715
309 E A -2.0277
310 S A -1.5398
311 C A 0.0000
312 S A -1.6398
313 Q A -1.7804
314 N A -1.2544
315 I A -0.6579
316 D A -1.9236
317 D A -0.9221
318 C A -0.4169
319 A A -0.2024
320 T A 0.0308
321 A A 0.8473
322 V A 1.9944
323 C A 1.6611
324 F A 1.0294
325 H A -0.6081
326 G A -0.4381
327 A A 0.2417
328 T A 0.2638
329 C A 0.4681
330 H A -0.8093
331 D A -1.3364
332 R A -1.4731
333 V A -0.1390
334 A A -0.3892
335 S A -0.5037
336 F A 0.1585
337 Y A 0.9927
338 C A 0.0000
339 A A 0.6067
340 C A 0.5421
341 P A 0.1569
342 M A 0.8169
343 G A -0.0480
344 K A -0.9901
345 T A -0.7201
346 G A 0.4092
347 L A 1.9895
348 L A 1.7246
349 C A 0.0000
350 H A -0.2005
351 L A -1.1234
352 D A -2.1743
353 D A -1.5126
354 A A -1.2472
355 C A -0.3707
356 V A 0.7905
357 S A -0.0363
358 N A -0.9465
359 P A -0.8413
360 C A -1.3019
361 H A -2.2200
362 E A -2.9005
363 D A -2.2349
364 A A -0.8997
365 I A 0.9426
366 C A -0.0166
367 D A -1.1635
368 T A 0.0000
369 N A -1.0317
370 P A -0.2830
371 V A 0.4522
372 N A -1.1575
373 G A -1.8664
374 R A -2.4394
375 A A 0.0000
376 I A -0.0093
377 C A -0.2180
378 T A 0.3323
379 C A -0.3274
380 P A -0.3418
381 P A -0.4291
382 G A -0.7471
383 F A -1.3458
384 T A -1.1684
385 G A -1.3610
386 G A -1.1185
387 A A -1.2730
388 C A 0.0000
389 D A -2.7592
390 Q A -2.5416
391 D A -1.9250
392 V A -1.0959
393 D A -1.3478
394 E A -0.6423
395 C A -0.4600
396 S A -1.1078
397 I A -0.7435
398 G A -1.0784
399 A A -0.6223
400 N A -1.4888
401 P A -1.0781
402 C A 0.0000
403 E A -2.4047
404 H A -1.6850
405 L A -0.1730
406 G A 0.0000
407 R A -2.1688
408 C A 0.0000
409 V A 0.0692
410 N A -0.4855
411 T A -0.4733
412 Q A -1.6492
413 G A -1.2743
414 S A -0.3088
415 F A 0.3497
416 L A 0.7836
417 C A 0.0000
418 Q A -1.5794
419 C A -1.6544
420 G A -1.4005
421 R A -1.9625
422 G A 0.0000
423 Y A -1.0610
424 T A -1.3715
425 G A -1.2237
426 P A -1.0541
427 R A -2.2469
428 C A 0.0000
429 E A -1.9256
430 T A -1.3731
431 D A -1.4514
432 V A -0.5559
433 N A -0.5799
434 E A -0.4789
435 C A 0.0128
436 L A 0.7787
437 S A 0.1611
438 G A -0.4482
439 P A -0.2947
440 C A -0.9600
441 R A -2.3096
442 N A -1.9085
443 Q A -1.8703
444 A A -0.8417
445 T A -0.2457
446 C A 0.0517
447 L A -0.1092
448 D A -0.9959
449 R A -1.3264
450 I A -0.0126
451 G A 0.0000
452 Q A -1.3719
453 F A -0.4338
454 T A -0.0303
455 C A 0.2465
456 I A 0.4857
457 C A 0.1622
458 M A 0.0826
459 A A 0.3648
460 G A 0.0000
461 F A 0.0000
462 T A -0.1762
463 G A -0.1049
464 T A 0.1380
465 Y A 0.0935
466 C A 0.0000
467 E A -0.9278
468 V A -0.1791
469 D A -1.5719
470 I A -1.1880
471 D A -2.8620
472 E A -2.4002
473 C A -1.9103
474 Q A -2.0645
475 S A -1.2081
476 S A -0.4183
477 P A 0.0458
478 C A 0.2894
479 V A 0.5273
480 N A -0.7612
481 G A -0.2695
482 G A 0.3437
483 V A 1.2041
484 C A -0.4942
485 K A -2.2283
486 D A -3.4489
487 R A -2.7709
488 V A -0.5933
489 N A -1.4011
490 G A -1.3069
491 F A -1.3723
492 S A -0.7103
493 C A 0.1820
494 T A 0.3606
495 C A 0.3648
496 P A -0.3734
497 S A -1.1070
498 G A -1.9904
499 F A -1.1630
500 S A -0.6138
501 G A -0.5194
502 S A -0.2178
503 T A 0.0619
504 C A 0.0000
505 Q A -0.9804
506 L A -0.3077
507 D A -2.4608
508 V A -1.8852
509 D A -2.9296
510 E A -2.7993
511 C A -1.7896
512 A A -1.0091
513 S A -0.7023
514 T A -0.8965
515 P A 0.0000
516 C A 0.0000
517 R A -3.1213
518 N A -3.0076
519 G A -2.3106
520 A A -2.9168
521 K A -2.9941
522 C A -2.4249
523 V A -2.2265
524 D A -3.4404
525 Q A -2.8369
526 P A -2.4894
527 D A -2.8727
528 G A -2.2472
529 Y A -2.2903
530 E A -2.7155
531 C A -2.5669
532 R A -3.2228
533 C A -3.0581
534 A A -1.9790
535 E A -1.9032
536 G A -1.1340
537 F A -2.3662
538 E A -3.3898
539 G A -2.2383
540 T A -1.6318
541 L A -2.0106
542 C A 0.0000
543 D A -3.6715
544 R A -3.4385
545 N A -2.0809
546 V A -1.4681
547 D A -1.5780
548 D A -1.1235
549 C A -1.5555
550 S A -1.4947
551 P A -1.4614
552 D A -2.6477
553 P A -1.9381
554 C A 0.0000
555 H A -2.6167
556 H A -2.0791
557 G A -1.8601
558 R A -2.2246
559 C A 0.0000
560 V A 0.1120
561 D A -1.1526
562 G A 0.2874
563 I A 1.0305
564 A A 0.0463
565 S A 0.1527
566 F A 0.0400
567 S A -0.2383
568 C A -1.0994
569 A A -0.3719
570 C A -1.1575
571 A A -0.9122
572 P A -0.6652
573 G A 0.0000
574 Y A -1.1015
575 T A -1.1193
576 G A -1.3105
577 T A -1.0384
578 R A -2.4049
579 C A 0.0000
580 E A -2.7075
581 S A -1.8567
582 Q A -1.5766
583 V A -1.3225
584 D A -2.3877
585 E A -2.1063
586 C A -2.1384
587 R A -2.9275
588 S A -1.9181
589 Q A -2.5547
590 P A -1.4563
591 C A -1.2988
592 R A -2.5667
593 H A -1.8511
594 G A -1.8416
595 G A -1.3941
596 K A -1.7952
597 C A -0.8910
598 L A -0.0340
599 D A -1.5703
600 L A 0.1634
601 V A 0.1768
602 D A -1.9798
603 K A -1.6339
604 Y A -0.2943
605 L A 1.3053
606 C A 0.3644
607 C A 0.4726
608 C A -0.1317
609 P A -0.7518
610 S A -0.2605
611 G A -0.7561
612 T A 0.0000
613 T A 0.4547
614 G A 0.7299
615 V A 1.7994
616 N A -0.0449
617 C A 0.0000
618 E A -0.6325
619 V A 0.6112
620 N A -0.7377
621 I A -0.2012
622 D A -2.1456
623 D A -2.7677
624 C A 0.0000
625 A A -1.0686
626 S A -1.2212
627 N A -1.0955
628 P A -0.5053
629 C A -0.1669
630 T A 0.1982
631 F A 0.7133
632 G A 0.4530
633 V A 1.1219
634 C A -0.6417
635 R A -2.4626
636 D A -2.5404
637 G A -2.0008
638 I A -0.7152
639 N A -2.0963
640 R A -3.0664
641 Y A -2.6110
642 D A -2.2551
643 C A -0.5558
644 V A 0.4641
645 C A 0.0773
646 Q A -0.8799
647 P A -1.3246
648 G A 0.0000
649 F A -0.9306
650 T A -0.0271
651 G A 0.0077
652 P A -0.3551
653 L A 0.2413
654 C A 0.0000
655 N A -0.7298
656 V A 0.0151
657 E A -1.8730
658 I A -1.1869
659 N A -1.9104
660 E A -1.7680
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1998 R A -1.5304
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2000 I A -1.4863
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2245 L A 1.8231
2246 T A 0.8537
2247 P A -0.0893
2248 S A -0.8290
2249 P A -1.4347
2250 E A -2.5188
2251 S A -1.9798
2252 P A -2.1281
2253 E A -2.4649
2254 H A -1.4150
2255 W A 0.1152
2256 A A -0.1183
2257 S A -0.1632
2258 P A -0.3714
2259 S A -0.5315
2260 P A -0.2121
2261 P A -0.0356
2262 S A 0.2637
2263 L A 1.0188
2264 S A -0.1167
2265 D A -1.2235
2266 W A -0.1690
2267 S A -1.1417
2268 E A -1.9886
2269 S A -1.1258
2270 T A -0.9526
2271 P A -0.7330
2272 S A -0.4967
2273 P A -0.4164
2274 A A -0.1774
2275 T A -0.1752
2276 A A -0.1317
2277 T A -0.1574
2278 G A -0.2378
2279 A A 0.3466
2280 M A 0.9879
2281 A A 0.5688
2282 T A 0.1476
2283 T A -0.2315
2284 T A -0.3706
2285 G A -0.1547
2286 A A 0.5383
2287 L A 1.2355
2288 P A 0.2698
2289 A A -0.4123
2290 Q A -0.8251
2291 P A 0.0438
2292 L A 1.4034
2293 P A 1.1378
2294 L A 2.1455
2295 S A 1.4829
2296 V A 1.8835
2297 P A 0.4033
2298 S A 0.2179
2299 S A 0.4006
2300 L A 1.1665
2301 A A 0.2815
2302 Q A -1.0752
2303 A A -1.2225
2304 Q A -1.7387
2305 T A -0.9150
2306 Q A -0.8600
2307 L A 0.6480
2308 G A -0.4430
2309 P A -0.9669
2310 Q A -1.7465
2311 P A -1.4924
2312 E A -1.3408
2313 V A 0.3713
2314 T A -0.4138
2315 P A -1.2414
2316 K A -2.9311
2317 R A -3.0610
2318 Q A -1.1897
2319 V A 1.5484
2320 L A 2.2177
2321 A A 1.0975
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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 -0.0533 7.3469 View CSV PDB
4.5 -0.1375 7.3469 View CSV PDB
5.0 -0.2396 7.3469 View CSV PDB
5.5 -0.3455 7.3469 View CSV PDB
6.0 -0.4427 7.3469 View CSV PDB
6.5 -0.5236 7.3469 View CSV PDB
7.0 -0.5878 7.3469 View CSV PDB
7.5 -0.6402 7.3469 View CSV PDB
8.0 -0.6844 7.3469 View CSV PDB
8.5 -0.7188 7.3469 View CSV PDB
9.0 -0.7396 7.3469 View CSV PDB