Project name: C493S

Status: done

Started: 2026-05-06 07:02:09
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSSTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:23:38)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/82ad213be19af1b/tmp/folded.pdb                (00:23:38)
[INFO]       Main:     Simulation completed successfully.                                          (01:00:58)
Show buried residues

Minimal score value
-4.824
Maximal score value
6.0176
Average score
-0.7517
Total score value
-1744.6357

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 0.7124
2 G A -0.1886
3 P A -0.4425
4 G A -0.9227
5 A A -1.2761
6 R A -2.5743
7 G A -2.7446
8 R A -3.8188
9 R A -4.4749
10 R A -4.5251
11 R A -4.5775
12 R A -4.4266
13 R A -3.0593
14 P A -1.1052
15 M A 0.3320
16 S A 0.0634
17 P A -0.2856
18 P A -0.6155
19 P A -0.6118
20 P A -0.6264
21 P A -0.4378
22 P A -0.3615
23 P A -0.0121
24 V A 0.8593
25 R A -0.7169
26 A A 0.5252
27 L A 1.8431
28 P A 1.6568
29 L A 3.1870
30 L A 3.8482
31 L A 3.8363
32 L A 3.6703
33 L A 2.7978
34 A A 1.1305
35 G A -0.0040
36 P A -0.4346
37 G A -0.6622
38 A A -0.2928
39 A A -0.4732
40 A A -0.8539
41 P A -0.2833
42 P A -0.8896
43 C A -0.5836
44 L A 0.4078
45 D A -1.2936
46 G A -0.9371
47 S A -1.0559
48 P A 0.0000
49 C A -1.3492
50 A A -1.3793
51 N A -1.6659
52 G A -1.2777
53 G A 0.0000
54 R A -1.6776
55 C A 0.0000
56 T A -0.8561
57 Q A -1.5784
58 L A -0.9571
59 P A -1.1372
60 S A -1.6764
61 R A -2.9243
62 E A -2.8589
63 A A -1.7864
64 A A -1.2770
65 C A -0.8502
66 L A 0.4770
67 C A -0.3483
68 P A -0.1969
69 P A -0.4503
70 G A -1.0147
71 W A -0.9077
72 V A -0.8978
73 G A -1.0522
74 E A -2.0959
75 R A -2.1665
76 C A 0.0000
77 Q A -1.7905
78 L A -1.5485
79 E A -2.3002
80 D A -1.6290
81 P A -1.3798
82 C A -0.9415
83 H A -1.5979
84 S A -1.1450
85 G A -0.8519
86 P A -0.5628
87 C A -0.7080
88 A A -0.5036
89 G A -0.9767
90 R A -1.6531
91 G A -1.0189
92 V A 0.5358
93 C A -0.1310
94 Q A -0.6174
95 S A -0.4650
96 S A -0.1158
97 V A 0.5390
98 V A 1.4925
99 A A 0.5888
100 G A -0.2519
101 T A -0.1712
102 A A 0.0000
103 R A -1.4092
104 F A -0.5932
105 S A -0.7772
106 C A -0.8627
107 R A -1.6641
108 C A -1.0723
109 P A -1.2600
110 R A -1.7553
111 G A -0.3560
112 F A -0.1681
113 R A -0.5505
114 G A -0.5403
115 P A -0.7336
116 D A -0.7325
117 C A 0.0000
118 S A -0.2301
119 L A 0.4397
120 P A 0.1103
121 D A -0.1351
122 P A 0.1076
123 C A 0.3045
124 L A 0.5638
125 S A 0.1728
126 S A -0.1775
127 P A -0.3916
128 C A -1.1467
129 A A -1.6550
130 H A -1.7389
131 G A -1.3037
132 A A -1.5595
133 R A -1.8374
134 C A -0.2180
135 S A -0.0545
136 V A 0.1747
137 G A -0.5527
138 P A -1.1782
139 D A -2.2172
140 G A -1.4479
141 R A -1.8244
142 F A -0.4669
143 L A 0.1301
144 C A -0.6941
145 S A -0.9247
146 C A -1.3357
147 P A -0.8366
148 P A -0.5121
149 G A -0.8165
150 Y A -1.8287
151 Q A -2.4250
152 G A -2.4711
153 R A -2.3774
154 S A 0.0000
155 C A 0.0000
156 R A -2.9421
157 S A -2.2891
158 D A -1.9223
159 V A -1.1187
160 D A -1.0775
161 E A -1.3838
162 C A -1.4119
163 R A -1.6596
164 V A 0.1696
165 G A -0.9766
166 E A -2.3612
167 P A -1.6712
168 C A 0.0000
169 R A -2.9977
170 H A -2.0995
171 G A -1.7574
172 G A -1.7433
173 T A -1.2975
174 C A -1.4738
175 L A -0.7887
176 N A -1.1780
177 T A -0.7967
178 P A -0.9446
179 G A -1.0817
180 S A -0.8148
181 F A -0.9461
182 R A -1.8892
183 C A -1.6999
184 Q A -1.5635
185 C A -1.2544
186 P A -0.6402
187 A A 0.0495
188 G A 0.1374
189 Y A -0.3851
190 T A -0.6733
191 G A -0.8867
192 P A -1.0550
193 L A -1.3182
194 C A 0.0000
195 E A -1.7726
196 N A -1.5657
197 P A -0.3436
198 A A 0.4041
199 V A 1.1376
200 P A 0.0278
201 C A -0.2244
202 A A 0.2802
203 P A 0.0354
204 S A -0.6943
205 P A -1.0279
206 C A -2.0927
207 R A -2.8067
208 N A -1.9115
209 G A -1.3263
210 G A -1.5454
211 T A -1.2184
212 C A -1.8511
213 R A -2.9465
214 Q A -2.4000
215 S A -1.7915
216 G A -1.2684
217 D A -1.1623
218 L A 0.6285
219 T A -0.5604
220 Y A -1.6260
221 D A -2.8672
222 C A 0.0000
223 A A -0.9691
224 C A -0.8591
225 L A 0.0248
226 P A -0.0938
227 G A -0.5286
228 F A -1.0542
229 E A -2.2254
230 G A -1.9760
231 Q A -2.3115
232 N A -2.1620
233 C A 0.0000
234 E A -1.8557
235 V A -0.6547
236 N A -0.6665
237 V A -0.9214
238 D A -1.8426
239 D A -1.6100
240 C A -1.4225
241 P A -1.3148
242 G A -1.3063
243 H A -1.6041
244 R A -2.0278
245 C A 0.0000
246 L A 0.0922
247 N A -0.6813
248 G A -0.6110
249 G A -0.8137
250 T A -0.6574
251 C A -0.8446
252 V A -0.4344
253 D A -1.0089
254 G A -0.2912
255 V A 0.6455
256 N A -0.8014
257 T A -0.7195
258 Y A -1.3022
259 N A -1.8081
260 C A -1.3570
261 Q A -1.4165
262 C A -1.1239
263 P A -0.6726
264 P A -0.8053
265 E A -1.3871
266 W A -1.2770
267 T A -1.4362
268 G A -1.5245
269 Q A -1.9327
270 F A -1.4153
271 C A 0.0000
272 T A -1.2392
273 E A -2.1580
274 D A -1.5423
275 V A -1.1987
276 D A -1.4250
277 E A -1.2280
278 C A -0.9737
279 Q A -1.2522
280 L A -0.1522
281 Q A -1.5395
282 P A -1.5143
283 N A -2.1778
284 A A -1.3832
285 C A 0.0000
286 H A -2.2195
287 N A -1.7138
288 G A -1.0499
289 G A -0.3204
290 T A 0.5621
291 C A 0.3159
292 F A 1.3578
293 N A -0.1461
294 T A 0.2799
295 L A 0.6276
296 G A -0.5402
297 G A -0.3742
298 H A -0.4832
299 S A 0.0989
300 C A 0.5799
301 V A 1.8181
302 C A 0.1865
303 V A 0.2071
304 N A -0.5318
305 G A 0.0000
306 W A -0.6003
307 T A -0.9722
308 G A -1.3316
309 E A -2.0513
310 S A -1.5523
311 C A 0.0000
312 S A -1.6766
313 Q A -1.9673
314 N A -1.3008
315 I A -0.8372
316 D A -2.0077
317 D A -0.9965
318 C A -0.4340
319 A A -0.2390
320 T A 0.0283
321 A A 0.8754
322 V A 2.1190
323 C A 1.7102
324 F A 1.0324
325 H A -0.6085
326 G A -0.4540
327 A A 0.2458
328 T A 0.2617
329 C A 0.5111
330 H A -0.7560
331 D A -1.2870
332 R A -1.3907
333 V A 0.0931
334 A A -0.3223
335 S A -0.4046
336 F A 0.3773
337 Y A 1.2816
338 C A 0.0000
339 A A 0.6424
340 C A 0.5688
341 P A 0.1533
342 M A 0.8289
343 G A 0.0004
344 K A -0.9537
345 T A -0.5159
346 G A 0.7340
347 L A 2.4063
348 L A 2.0568
349 C A 0.0000
350 H A 0.0859
351 L A -1.0211
352 D A -2.2344
353 D A -1.4101
354 A A -1.3277
355 C A -0.4013
356 V A 0.7026
357 S A 0.0002
358 N A -1.1278
359 P A -0.8556
360 C A -1.3052
361 H A -2.2564
362 E A -2.8940
363 D A -2.3932
364 A A -0.8849
365 I A 0.9548
366 C A -0.0092
367 D A -1.2479
368 T A 0.0000
369 N A -0.8278
370 P A -0.1515
371 V A 1.0391
372 N A -1.2829
373 G A -1.9187
374 R A -2.4123
375 A A -1.1324
376 I A -0.0048
377 C A -0.2258
378 T A 0.3521
379 C A -0.2977
380 P A 0.0000
381 P A -0.4322
382 G A -0.7755
383 F A -1.4101
384 T A -1.2325
385 G A -1.4113
386 G A -0.9794
387 A A -1.0938
388 C A 0.0000
389 D A -2.9838
390 Q A -2.5889
391 D A -1.9998
392 V A -1.0235
393 D A -1.0755
394 E A -0.2826
395 C A -0.1198
396 S A 0.1092
397 I A 1.2019
398 G A 0.1900
399 A A -0.4738
400 N A -1.5085
401 P A -1.0504
402 C A 0.0000
403 E A -2.6855
404 H A -1.7350
405 L A -0.1220
406 G A 0.0000
407 R A -2.1334
408 C A 0.0000
409 V A 0.2359
410 N A -0.3713
411 T A -0.4113
412 Q A -1.6549
413 G A -1.2820
414 S A -0.2555
415 F A 0.4670
416 L A 0.9869
417 C A -0.9586
418 Q A -1.5187
419 C A -1.7071
420 G A -1.3534
421 R A -2.0269
422 G A 0.0000
423 Y A -1.4520
424 T A -1.6904
425 G A -1.5880
426 P A -1.2424
427 R A -2.6773
428 C A 0.0000
429 E A -2.8279
430 T A -2.0139
431 D A -2.1523
432 V A -0.9402
433 N A -0.8295
434 E A -0.6510
435 C A -0.1723
436 L A 0.9534
437 S A 0.2259
438 G A -0.3947
439 P A -0.2618
440 C A -0.6669
441 R A -2.0615
442 N A -1.9551
443 Q A -1.6671
444 A A -0.3624
445 T A 0.1678
446 C A 0.2457
447 L A -0.2577
448 D A -1.8823
449 R A -1.6149
450 I A -0.2307
451 G A -1.2253
452 Q A -1.5376
453 F A -0.6138
454 T A 0.1290
455 C A 0.8117
456 I A 2.0139
457 C A 0.9143
458 M A 0.2350
459 A A 0.3002
460 G A 0.0000
461 F A 0.0000
462 T A 0.0409
463 G A 0.0920
464 T A 0.3836
465 Y A 0.4440
466 C A 0.0000
467 E A -0.7997
468 V A -0.1432
469 D A -1.6235
470 I A -1.1861
471 D A -2.8986
472 E A -2.4833
473 C A -1.9842
474 Q A -2.0768
475 S A -1.2142
476 S A -0.5001
477 P A -0.0111
478 C A 0.2819
479 V A 0.6291
480 N A -0.7071
481 G A -0.2481
482 G A 0.3050
483 V A 1.1893
484 C A -0.5738
485 K A -2.2632
486 D A -3.5397
487 R A -2.8610
488 V A -0.6431
489 N A -1.4834
490 G A -1.4226
491 F A -1.6133
492 S A -0.8897
493 S A 0.0469
494 T A 0.2303
495 C A 0.3441
496 P A -0.3918
497 S A -1.0047
498 G A -2.0152
499 F A -1.1170
500 S A -0.4319
501 G A -0.5298
502 S A -0.2469
503 T A 0.0474
504 C A 0.0000
505 Q A -0.9271
506 L A -0.2504
507 D A -2.4770
508 V A -1.9128
509 D A -2.9570
510 E A -2.7950
511 C A -1.7574
512 A A -1.0086
513 S A -0.7034
514 T A -0.8880
515 P A -0.7627
516 C A 0.0000
517 R A -3.0708
518 N A -3.1207
519 G A -2.3291
520 A A -2.8784
521 K A -2.9571
522 C A -2.2857
523 V A -2.0216
524 D A -3.4377
525 Q A -3.0855
526 P A -2.6661
527 D A -2.9762
528 G A -2.2807
529 Y A -2.1992
530 E A -2.4206
531 C A -2.3443
532 R A -3.0763
533 C A -2.9639
534 A A -2.0203
535 E A -1.9415
536 G A -1.3086
537 F A -2.5885
538 E A -3.4393
539 G A -2.0877
540 T A -1.4974
541 L A -1.8218
542 C A 0.0000
543 D A -3.7125
544 R A -3.8609
545 N A -2.5317
546 V A -1.8144
547 D A -2.4099
548 D A -1.6007
549 C A -1.8090
550 S A -1.6799
551 P A -1.5995
552 D A -2.7539
553 P A -2.0079
554 C A 0.0000
555 H A -2.6231
556 H A -2.0316
557 G A -1.8991
558 R A -2.2522
559 C A -1.3431
560 V A -0.2473
561 D A -0.9812
562 G A 0.2426
563 I A 1.1100
564 A A -0.0954
565 S A 0.0043
566 F A -0.2444
567 S A -0.4053
568 C A -1.2073
569 A A -0.5305
570 C A -1.1105
571 A A -0.8321
572 P A -0.5891
573 G A 0.0000
574 Y A -0.9450
575 T A -0.9314
576 G A -1.2859
577 T A -1.0924
578 R A -2.4749
579 C A 0.0000
580 E A -2.7052
581 S A -1.7013
582 Q A -1.2267
583 V A -1.1634
584 D A -2.3381
585 E A -2.1725
586 C A -2.3207
587 R A -2.9022
588 S A -1.9297
589 Q A -2.8372
590 P A -1.5581
591 C A 0.0000
592 R A -2.8312
593 H A -1.7604
594 G A -2.0752
595 G A -2.3055
596 K A -2.8218
597 C A -1.8327
598 L A -0.9974
599 D A -1.9679
600 L A -0.0106
601 V A 0.2122
602 D A -1.9623
603 K A -1.8100
604 Y A -0.8694
605 L A 0.2738
606 C A 0.0000
607 R A -2.1239
608 C A -1.3499
609 P A -1.3038
610 S A -0.6035
611 G A -0.8548
612 T A 0.0000
613 T A 0.0048
614 G A 0.3119
615 V A 1.2913
616 N A -0.6160
617 C A 0.0000
618 E A -0.8176
619 V A 0.4079
620 N A -0.9349
621 I A -0.5099
622 D A -2.3091
623 D A -2.8901
624 C A 0.0000
625 A A -1.1110
626 S A -1.2265
627 N A -1.1404
628 P A -0.5530
629 C A -0.0915
630 T A 0.2240
631 F A 0.7977
632 G A 0.4856
633 V A 1.0539
634 C A -0.7169
635 R A -2.4828
636 D A -2.6302
637 G A -2.1253
638 I A -0.9490
639 N A -2.2251
640 R A -3.1593
641 Y A -2.6852
642 D A -2.2935
643 C A 0.0000
644 V A 0.5185
645 C A 0.1189
646 Q A -0.8122
647 P A -1.2880
648 G A 0.0000
649 F A -0.8177
650 T A 0.0065
651 G A 0.0120
652 P A -0.3751
653 L A 0.2219
654 C A 0.0000
655 N A -0.7183
656 V A 0.0240
657 E A -1.7807
658 I A -1.1244
659 N A -1.8566
660 E A -1.7586
661 C A -0.7880
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1991 L A 0.0000
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1994 H A -0.6409
1995 F A 0.4814
1996 A A 0.0000
1997 N A -0.9558
1998 R A -1.4459
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2000 I A -1.5033
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2012 A A 0.0000
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2014 E A -3.2314
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2016 L A -0.9049
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2246 T A 0.7805
2247 P A -0.0776
2248 S A -0.8287
2249 P A -1.4145
2250 E A -2.4149
2251 S A -1.9187
2252 P A -1.8482
2253 E A -2.4180
2254 H A -1.3152
2255 W A 0.1553
2256 A A 0.0237
2257 S A -0.1326
2258 P A -0.5539
2259 S A -0.5727
2260 P A -0.6236
2261 P A -0.2380
2262 S A 0.2963
2263 L A 0.8885
2264 S A -0.0134
2265 D A -1.0056
2266 W A -0.3308
2267 S A -0.9453
2268 E A -1.7952
2269 S A -1.2903
2270 T A -0.8262
2271 P A -0.6891
2272 S A -0.4710
2273 P A -0.4075
2274 A A -0.1901
2275 T A -0.1088
2276 A A -0.1288
2277 T A -0.2744
2278 G A -0.2087
2279 A A 0.3031
2280 M A 0.9850
2281 A A 0.5668
2282 T A 0.1441
2283 T A -0.1179
2284 T A -0.1676
2285 G A -0.0949
2286 A A 0.5060
2287 L A 1.1876
2288 P A 0.1296
2289 A A -0.1154
2290 Q A -0.7835
2291 P A 0.0151
2292 L A 1.3532
2293 P A 1.2240
2294 L A 2.1610
2295 S A 1.4252
2296 V A 1.8791
2297 P A 0.7749
2298 S A 0.3280
2299 S A 0.4231
2300 L A 1.1293
2301 A A 0.0193
2302 Q A -1.1807
2303 A A -1.0561
2304 Q A -1.6676
2305 T A -0.9855
2306 Q A -0.9257
2307 L A 0.4204
2308 G A -0.3655
2309 P A -1.1201
2310 Q A -1.5352
2311 P A -1.3501
2312 E A -1.4595
2313 V A 0.3525
2314 T A -0.6025
2315 P A -1.5292
2316 K A -2.6292
2317 R A -2.6132
2318 Q A -1.3204
2319 V A 1.2010
2320 L A 1.8853
2321 A A 1.1854
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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 -0.0661 7.3783 View CSV PDB
4.5 -0.1505 7.3783 View CSV PDB
5.0 -0.2527 7.3783 View CSV PDB
5.5 -0.3585 7.3783 View CSV PDB
6.0 -0.4552 7.3783 View CSV PDB
6.5 -0.5354 7.3783 View CSV PDB
7.0 -0.5986 7.3783 View CSV PDB
7.5 -0.6499 7.3783 View CSV PDB
8.0 -0.6929 7.3783 View CSV PDB
8.5 -0.7259 7.3783 View CSV PDB
9.0 -0.7455 7.3783 View CSV PDB