Project name: C446S_5

Status: done

Started: 2026-06-02 01:54:40
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATSLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
input PDB
Selected Chain(s) A
Distance of aggregation 5 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                                          (00:00:20)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:24:22)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/1d543e269bffa93/tmp/folded.pdb                (00:24:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:53:46)
Show buried residues

Minimal score value
-2.576
Maximal score value
2.3263
Average score
-0.2774
Total score value
-643.8904

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 0.9672
2 G A -0.3174
3 P A -0.4232
4 G A -0.5016
5 A A -0.3610
6 R A -1.9174
7 G A -1.1297
8 R A -2.2629
9 R A -2.5151
10 R A -2.5126
11 R A -2.5153
12 R A -2.5166
13 R A -2.2241
14 P A -0.3958
15 M A 0.9674
16 S A -0.0656
17 P A -0.3395
18 P A -0.3469
19 P A -0.3470
20 P A -0.3475
21 P A -0.3476
22 P A -0.3471
23 P A 0.0291
24 V A 1.3858
25 R A -1.5068
26 A A -0.0575
27 L A 1.1956
28 P A 0.2488
29 L A 1.7832
30 L A 2.1113
31 L A 2.1136
32 L A 2.1139
33 L A 1.8405
34 A A 0.2623
35 G A -0.5017
36 P A -0.4252
37 G A -0.5024
38 A A -0.0167
39 A A 0.0793
40 A A 0.0503
41 P A -0.0745
42 P A -0.0376
43 C A 0.3215
44 L A 1.0691
45 D A -1.6227
46 G A -0.7997
47 S A -0.1865
48 P A -0.2511
49 C A -0.0221
50 A A -0.1340
51 N A -0.9797
52 G A -0.6403
53 G A -0.4424
54 R A -1.7423
55 C A 0.2546
56 T A -0.1301
57 Q A -1.0773
58 L A 0.3969
59 P A -0.1528
60 S A -0.4706
61 R A -2.1971
62 E A -2.1602
63 A A 0.0000
64 A A 0.0265
65 C A 0.4340
66 L A 1.6055
67 C A 0.5079
68 P A -0.0687
69 P A -0.2800
70 G A -0.0760
71 W A 0.1635
72 V A 0.3139
73 G A -0.3737
74 E A -1.9122
75 R A -0.7431
76 C A 0.0000
77 Q A -1.1451
78 L A -0.2637
79 E A -1.7639
80 D A -0.5726
81 P A -0.0647
82 C A -0.0749
83 H A -1.0087
84 S A -0.4773
85 G A -0.5155
86 P A -0.1310
87 C A -0.0057
88 A A -0.0067
89 G A -0.5862
90 R A -1.9021
91 G A -0.0464
92 V A 1.7895
93 C A 0.3493
94 Q A -0.7484
95 S A -0.1119
96 S A -0.0119
97 V A 1.0705
98 V A 1.9258
99 A A 0.2995
100 G A -0.4650
101 T A -0.1352
102 A A 0.0000
103 R A -1.7192
104 F A 0.2718
105 S A -0.0726
106 C A -0.2775
107 R A -1.7841
108 C A -0.1293
109 P A -0.3407
110 R A -1.8610
111 G A -0.2254
112 F A 0.7746
113 R A -0.2509
114 G A -0.2670
115 P A -0.4039
116 D A -0.7157
117 C A 0.0000
118 S A -0.0526
119 L A 0.6503
120 P A -0.0519
121 D A -0.3204
122 P A -0.0587
123 C A 0.3123
124 L A 1.1967
125 S A -0.0284
126 S A -0.2597
127 P A -0.0723
128 C A 0.0651
129 A A -0.1175
130 H A -0.8574
131 G A -0.6048
132 A A -0.4000
133 R A -1.8072
134 C A -0.1836
135 S A -0.0260
136 V A 0.8152
137 G A 0.0000
138 P A -0.5795
139 D A -1.8483
140 G A -0.6790
141 R A -1.5461
142 F A 0.2637
143 L A 0.8203
144 C A 0.2175
145 S A -0.1628
146 C A 0.1218
147 P A -0.0819
148 P A -0.2757
149 G A -0.1041
150 Y A 0.0000
151 Q A -1.2845
152 G A -1.0218
153 R A -1.9016
154 S A -0.3706
155 C A 0.0000
156 R A -1.8832
157 S A -0.6781
158 D A -0.6343
159 V A 0.1993
160 D A -0.3930
161 E A -0.7482
162 C A -0.3370
163 R A -1.4989
164 V A 1.3851
165 G A -0.2859
166 E A -1.8791
167 P A -0.3750
168 C A 0.0000
169 R A -1.6668
170 H A -1.2868
171 G A -0.6440
172 G A -0.1325
173 T A -0.0588
174 C A 0.2659
175 L A 0.6904
176 N A -0.4734
177 T A -0.1308
178 P A -0.2679
179 G A -0.1458
180 S A -0.0836
181 F A -0.0607
182 R A -1.7511
183 C A -0.4629
184 Q A -1.1483
185 C A -0.0749
186 P A -0.0647
187 A A 0.0189
188 G A -0.0227
189 Y A 0.3397
190 T A 0.0304
191 G A -0.1887
192 P A -0.2069
193 L A 0.3691
194 C A 0.0000
195 E A -1.2863
196 N A -1.2453
197 P A -0.3751
198 A A 0.2557
199 V A 1.3422
200 P A 0.2446
201 C A 0.1403
202 A A -0.0094
203 P A -0.2646
204 S A -0.1520
205 P A -0.0593
206 C A 0.0000
207 R A -1.9976
208 N A -1.2604
209 G A -0.6264
210 G A -0.1149
211 T A -0.0610
212 C A -0.2496
213 R A -2.0509
214 Q A -1.5058
215 S A -0.3973
216 G A -0.5217
217 D A -1.5874
218 L A 0.9516
219 T A 0.2553
220 Y A 0.0063
221 D A -1.6879
222 C A 0.0000
223 A A 0.0719
224 C A 0.3973
225 L A 0.8834
226 P A -0.1031
227 G A -0.2429
228 F A -0.1608
229 E A -1.8227
230 G A -0.8138
231 Q A -1.2901
232 N A -0.4616
233 C A 0.0000
234 E A -0.7388
235 V A 0.9659
236 N A -0.1036
237 V A 0.2283
238 D A -1.7559
239 D A -0.7869
240 C A -0.0421
241 P A -0.3246
242 G A -0.6007
243 H A -0.9028
244 R A -1.9319
245 C A 0.0000
246 L A 1.2085
247 N A -0.6214
248 G A -0.6158
249 G A -0.1127
250 T A -0.0617
251 C A 0.2297
252 V A 0.6434
253 D A -0.6025
254 G A 0.1067
255 V A 1.5506
256 N A -0.8170
257 T A -0.2326
258 Y A -0.1306
259 N A -1.2165
260 C A -0.3643
261 Q A -1.1433
262 C A -0.0261
263 P A -0.0623
264 P A -0.3715
265 E A -0.6063
266 W A -0.0008
267 T A -0.2288
268 G A -0.4146
269 Q A -1.1798
270 F A 0.0786
271 C A 0.0000
272 T A -0.3839
273 E A -1.9007
274 D A -0.6500
275 V A -0.1320
276 D A -1.4052
277 E A -0.3712
278 C A -0.1415
279 Q A -0.8935
280 L A 1.1195
281 Q A -0.7520
282 P A -0.6638
283 N A -1.3178
284 A A -0.2225
285 C A 0.0000
286 H A -1.0230
287 N A -0.9401
288 G A -0.6027
289 G A -0.1370
290 T A -0.0429
291 C A 0.4390
292 F A 1.6622
293 N A -0.2170
294 T A 0.0986
295 L A 1.5053
296 G A 0.0952
297 G A -0.1829
298 H A -0.5024
299 S A -0.2325
300 C A 0.3906
301 V A 1.7415
302 C A 0.6095
303 V A 0.8899
304 N A -0.1926
305 G A 0.0000
306 W A 0.1236
307 T A -0.0312
308 G A -0.5271
309 E A -1.8688
310 S A -0.4088
311 C A 0.0000
312 S A -0.4323
313 Q A -1.3116
314 N A -0.4131
315 I A 0.6163
316 D A -1.6847
317 D A -0.7723
318 C A 0.0478
319 A A 0.0677
320 T A -0.0587
321 A A 0.1727
322 V A 0.9084
323 C A 0.4455
324 F A 0.6109
325 H A -0.9337
326 G A -0.6445
327 A A -0.0600
328 T A -0.0360
329 C A 0.0556
330 H A -0.4914
331 D A -0.7509
332 R A -1.6842
333 V A 0.9032
334 A A 0.2309
335 S A -0.1565
336 F A 0.4031
337 Y A 0.7103
338 C A 0.0000
339 A A 0.0771
340 C A 0.2623
341 P A 0.1542
342 M A 1.0182
343 G A -0.0450
344 K A -0.8449
345 T A -0.1272
346 G A 0.0096
347 L A 0.6021
348 L A 0.4013
349 C A 0.0000
350 H A -0.3733
351 L A -0.1798
352 D A -1.8766
353 D A -0.7239
354 A A -0.0318
355 C A 0.4014
356 V A 1.7045
357 S A -0.1265
358 N A -1.3315
359 P A -0.3284
360 C A 0.0296
361 H A -0.4768
362 E A -2.1750
363 D A -2.1194
364 A A 0.0755
365 I A 2.0414
366 C A 0.2026
367 D A -1.7620
368 T A 0.0000
369 N A -0.2807
370 P A 0.1009
371 V A 1.5145
372 N A -0.9483
373 G A -0.6140
374 R A -1.8512
375 A A -0.1154
376 I A 1.1951
377 C A 0.3094
378 T A -0.0188
379 C A 0.1767
380 P A -0.0357
381 P A -0.2683
382 G A -0.0351
383 F A 0.1743
384 T A -0.0682
385 G A -0.4913
386 G A -0.5353
387 A A -0.0494
388 C A 0.0000
389 D A -2.0079
390 Q A -1.5776
391 D A -0.4279
392 V A 0.0108
393 D A -1.1385
394 E A -0.4664
395 C A 0.0968
396 S A 0.1862
397 I A 1.8874
398 G A -0.0820
399 A A -0.2474
400 N A -1.1907
401 P A -0.2460
402 C A 0.0000
403 E A -1.7693
404 H A -0.4066
405 L A 1.4799
406 G A 0.0000
407 R A -1.9667
408 C A 0.0000
409 V A 0.4833
410 N A -0.2413
411 T A -0.2821
412 Q A -1.2167
413 G A -0.3125
414 S A -0.0494
415 F A 0.7051
416 L A 1.5647
417 C A 0.1209
418 Q A -1.3303
419 C A -0.0456
420 G A -0.5653
421 R A -1.8934
422 G A 0.0000
423 Y A 0.0285
424 T A -0.0322
425 G A -0.2019
426 P A -0.5521
427 R A -1.5584
428 C A 0.0000
429 E A -0.7895
430 T A -0.4155
431 D A -1.1070
432 V A 0.3430
433 N A -0.4865
434 E A -0.3962
435 C A 0.3257
436 L A 1.5276
437 S A -0.0140
438 G A -0.5125
439 P A -0.1105
440 C A -0.1611
441 R A -1.9565
442 N A -1.2477
443 Q A -1.3217
444 A A -0.2002
445 T A -0.0792
446 S A 0.0463
447 L A 0.2825
448 D A -1.5515
449 R A -1.7187
450 I A 1.6717
451 G A 0.0000
452 Q A -1.1444
453 F A -0.1033
454 T A 0.0457
455 C A 0.3697
456 I A 1.6383
457 C A 0.6032
458 M A 0.5845
459 A A 0.1580
460 G A 0.0000
461 F A -0.0317
462 T A -0.0494
463 G A -0.2626
464 T A 0.0297
465 Y A 0.7912
466 C A 0.0000
467 E A -0.4363
468 V A 0.6819
469 D A -1.4042
470 I A 0.1716
471 D A -1.5424
472 E A -1.2067
473 C A -0.2920
474 Q A -1.2199
475 S A -0.4697
476 S A -0.2589
477 P A -0.0675
478 C A 0.2395
479 V A 0.8632
480 N A -0.7599
481 G A -0.6325
482 G A 0.2100
483 V A 1.7882
484 C A 0.2293
485 K A -1.6869
486 D A -2.2981
487 R A -1.8436
488 V A 1.2028
489 N A -0.9685
490 G A -0.2194
491 F A 0.3919
492 S A 0.1003
493 C A 0.1026
494 T A 0.0017
495 C A 0.1477
496 P A -0.1125
497 S A -0.2443
498 G A -0.3493
499 F A 0.0228
500 S A -0.1076
501 G A -0.4077
502 S A -0.2791
503 T A -0.0421
504 C A 0.0000
505 Q A -0.9668
506 L A 0.6999
507 D A -1.4044
508 V A -0.0296
509 D A -1.7748
510 E A -1.2873
511 C A -0.0746
512 A A 0.0366
513 S A -0.2148
514 T A -0.1156
515 P A -0.0503
516 C A 0.0000
517 R A -1.7451
518 N A -1.4646
519 G A -0.6610
520 A A -0.3592
521 K A -1.6843
522 C A -0.1505
523 V A 0.1505
524 D A -1.5180
525 Q A -1.1552
526 P A -0.7319
527 D A -1.8668
528 G A -0.3376
529 Y A 0.0093
530 E A -1.6665
531 C A -0.5749
532 R A -1.7851
533 C A -0.1050
534 A A -0.2660
535 E A -1.8271
536 G A -0.1362
537 F A -0.2177
538 E A -1.8034
539 G A -0.5137
540 T A -0.0317
541 L A 0.3743
542 C A 0.0000
543 D A -1.8693
544 R A -2.3044
545 N A -1.1516
546 V A 0.3178
547 D A -1.7612
548 D A -0.9782
549 C A -0.2274
550 S A -0.2605
551 P A -0.6324
552 D A -1.8256
553 P A -0.3346
554 C A -0.1433
555 H A -0.6207
556 H A -0.9301
557 G A -0.5841
558 R A -1.8535
559 C A 0.0499
560 V A 1.3018
561 D A -0.9539
562 G A -0.0446
563 I A 1.9840
564 A A 0.3592
565 S A -0.0733
566 F A 0.3402
567 S A -0.0907
568 C A 0.0810
569 A A 0.1136
570 C A 0.2793
571 A A 0.0303
572 P A -0.2621
573 G A -0.2840
574 Y A 0.0378
575 T A -0.0569
576 G A -0.2911
577 T A -0.2969
578 R A -0.9959
579 C A 0.0000
580 E A -1.5708
581 S A -0.6234
582 Q A -1.0440
583 V A 0.3577
584 D A -1.2806
585 E A -0.6082
586 C A 0.0000
587 R A -1.8835
588 S A -0.7685
589 Q A -1.2430
590 P A -0.2549
591 C A 0.0000
592 R A -1.9363
593 H A -0.9235
594 G A -0.5638
595 G A -0.4076
596 K A -1.7087
597 C A 0.0000
598 L A -0.0226
599 D A -1.5770
600 L A 0.5801
601 V A 1.5536
602 D A -1.7828
603 K A -1.9457
604 Y A 0.1380
605 L A 1.2537
606 C A 0.0000
607 R A -1.7969
608 C A -0.0958
609 P A -0.0853
610 S A -0.2456
611 G A -0.3084
612 T A 0.0000
613 T A -0.0934
614 G A 0.0813
615 V A 1.6869
616 N A 0.0786
617 C A 0.0000
618 E A -0.3550
619 V A 0.9751
620 N A -0.4218
621 I A 0.7001
622 D A -1.7307
623 D A -1.1761
624 C A -0.0704
625 A A 0.0344
626 S A -0.4296
627 N A -1.3195
628 P A -0.2615
629 C A 0.1304
630 T A 0.1306
631 F A 0.9992
632 G A 0.1803
633 V A 1.0868
634 C A 0.0000
635 R A -1.9611
636 D A -0.9173
637 G A -0.2980
638 I A 0.4026
639 N A -1.5037
640 R A -1.9840
641 Y A -0.1125
642 D A -1.2359
643 C A 0.1241
644 V A 1.5638
645 C A 0.1976
646 Q A -1.2274
647 P A -0.6368
648 G A -0.2695
649 F A -0.0262
650 T A 0.1021
651 G A -0.1967
652 P A -0.1577
653 L A 0.6491
654 C A 0.0000
655 N A -0.8943
656 V A 0.5971
657 E A -1.3849
658 I A 0.4274
659 N A -1.1421
660 E A -0.5422
661 C A 0.0601
662 A A 0.0390
663 S A -0.2414
664 S A -0.2611
665 P A -0.0729
666 C A 0.1261
667 G A -0.3481
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1950 N A -0.2941
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1954 A A 0.0000
1955 T A 0.0000
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1967 M A -0.0741
1968 Q A -0.6363
1969 D A 0.0000
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1971 K A -0.9595
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1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
1978 L A 0.0000
1979 A A 0.0000
1980 A A 0.0000
1981 R A -0.7742
1982 E A -1.7010
1983 G A -0.4591
1984 S A 0.0000
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1986 E A -1.1769
1987 A A 0.0000
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1989 K A -0.7875
1990 L A -0.1079
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.8068
1994 H A -0.3506
1995 F A 1.0323
1996 A A 0.0000
1997 N A -0.4033
1998 R A -0.6685
1999 E A -1.8122
2000 I A -0.0226
2001 T A -0.1414
2002 D A 0.0000
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2004 L A 0.2200
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2006 R A -0.5233
2007 L A 0.2742
2008 P A 0.0000
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2010 D A -0.4859
2011 V A 0.0000
2012 A A 0.0000
2013 Q A -0.6918
2014 E A -0.8392
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2016 L A 1.1895
2017 H A -0.1318
2018 Q A -1.4781
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2265 D A -1.5981
2266 W A 0.7996
2267 S A -0.3352
2268 E A -1.9014
2269 S A -0.5760
2270 T A -0.1606
2271 P A -0.3079
2272 S A -0.3108
2273 P A -0.2863
2274 A A -0.0026
2275 T A -0.0458
2276 A A 0.0280
2277 T A -0.1488
2278 G A -0.4689
2279 A A 0.1726
2280 M A 1.0772
2281 A A 0.2735
2282 T A -0.0766
2283 T A -0.1008
2284 T A -0.1776
2285 G A -0.4692
2286 A A 0.2874
2287 L A 1.5063
2288 P A 0.0810
2289 A A -0.2505
2290 Q A -1.2367
2291 P A -0.1760
2292 L A 1.4471
2293 P A 0.3978
2294 L A 1.4459
2295 S A 0.4640
2296 V A 1.6791
2297 P A 0.0395
2298 S A -0.3114
2299 S A 0.1194
2300 L A 1.5075
2301 A A 0.0573
2302 Q A -1.1732
2303 A A -0.4501
2304 Q A -1.1979
2305 T A -0.5305
2306 Q A -0.8375
2307 L A 1.1723
2308 G A -0.2479
2309 P A -0.6035
2310 Q A -1.3007
2311 P A -0.8551
2312 E A -1.5116
2313 V A 1.3907
2314 T A 0.2685
2315 P A -0.6555
2316 K A -2.1048
2317 R A -2.3852
2318 Q A -1.1319
2319 V A 1.7798
2320 L A 1.8853
2321 A A 0.4353
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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 0.0045 5.0154 View CSV PDB
4.5 -0.0282 5.0154 View CSV PDB
5.0 -0.068 5.0154 View CSV PDB
5.5 -0.1091 5.0154 View CSV PDB
6.0 -0.1462 5.0154 View CSV PDB
6.5 -0.1764 5.0154 View CSV PDB
7.0 -0.1995 5.0154 View CSV PDB
7.5 -0.2179 5.0154 View CSV PDB
8.0 -0.2331 5.0154 View CSV PDB
8.5 -0.2447 5.0154 View CSV PDB
9.0 -0.2513 5.0154 View CSV PDB