Project name: WT-R75P [mutate: RP75A]

Status: done

Started: 2026-03-24 01:18:59
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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
Mutated residues RP75A
Energy difference between WT (input) and mutated protein (by FoldX) 4.41973 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       FoldX:    Building mutant model                                                       (00:16:44)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:15)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/986f0fcd46cc13f/tmp/folded.pdb                (00:17:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:32:06)
Show buried residues

Minimal score value
-4.8376
Maximal score value
6.0328
Average score
-0.7517
Total score value
-1744.7984

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 0.7204
2 G A -0.1691
3 P A -0.6479
4 G A -1.0462
5 A A -1.2724
6 R A -2.7970
7 G A -2.9537
8 R A -4.0641
9 R A -4.5327
10 R A -4.6329
11 R A -4.8376
12 R A -4.3014
13 R A -3.0246
14 P A -1.1211
15 M A 0.0552
16 S A -0.1662
17 P A -0.3833
18 P A -0.5284
19 P A -0.6817
20 P A -0.6731
21 P A -0.4249
22 P A -0.3271
23 P A -0.0811
24 V A 0.8592
25 R A -0.6657
26 A A 0.5178
27 L A 1.7994
28 P A 1.6939
29 L A 3.2573
30 L A 3.8701
31 L A 3.9054
32 L A 3.6954
33 L A 2.8189
34 A A 1.1447
35 G A -0.0042
36 P A -0.4285
37 G A -0.6627
38 A A -0.3016
39 A A -0.4563
40 A A -0.7677
41 P A -0.3093
42 P A -0.9713
43 C A -0.6801
44 L A 0.3559
45 D A -1.3010
46 G A -0.9059
47 S A -0.9812
48 P A -0.7796
49 C A -0.9375
50 A A -1.0674
51 N A -1.5022
52 G A -1.1561
53 G A 0.0000
54 R A -1.5727
55 C A 0.0000
56 T A -0.9912
57 Q A -1.8626
58 L A -1.3064
59 P A -1.2900
60 S A -1.7279
61 R A -2.9524
62 E A -2.7466
63 A A 0.0000
64 A A -1.1549
65 C A -0.5400
66 L A 0.6240
67 C A -0.1426
68 P A -0.1941
69 P A -0.4522
70 G A -1.0197
71 W A -0.7634
72 V A -0.6784
73 G A -0.6878
74 E A -1.5860
75 P A -1.1097 mutated: RP75A
76 C A 0.0000
77 Q A -1.3638
78 L A -1.3367
79 E A -2.2799
80 D A -1.6163
81 P A -1.3728
82 C A -0.9440
83 H A -1.6025
84 S A -1.1443
85 G A -0.8488
86 P A -0.3727
87 C A -0.6929
88 A A -0.4977
89 G A -0.9795
90 R A -1.6416
91 G A -1.0371
92 V A 0.5331
93 C A -0.1495
94 Q A -0.6458
95 S A -0.4639
96 S A -0.0979
97 V A 0.5730
98 V A 1.5300
99 A A 0.6063
100 G A -0.2283
101 T A -0.1425
102 A A 0.0000
103 R A -1.3536
104 F A -0.5787
105 S A -0.7807
106 C A -0.8612
107 R A -1.6904
108 C A -1.1353
109 P A -1.2962
110 R A -1.7347
111 G A -0.2985
112 F A -0.3152
113 R A -0.6835
114 G A -0.5470
115 P A -0.7332
116 D A -0.7211
117 C A 0.0000
118 S A -0.0454
119 L A 0.4433
120 P A 0.1390
121 D A -0.0842
122 P A 0.1491
123 C A 0.4141
124 L A 0.9485
125 S A 0.3804
126 S A -0.0410
127 P A -0.3643
128 C A -1.2039
129 A A -1.6583
130 H A -1.7350
131 G A -1.2946
132 A A -1.6027
133 R A -1.8812
134 C A -0.2631
135 S A -0.2091
136 V A 0.0127
137 G A -0.7131
138 P A -1.2502
139 D A -2.2910
140 G A -1.5307
141 R A -1.9986
142 F A -0.6001
143 L A -0.2413
144 C A -0.8835
145 S A -1.0056
146 C A -1.3888
147 P A -0.8390
148 P A -0.5219
149 G A -0.8509
150 Y A -1.8591
151 Q A -2.4442
152 G A -2.4922
153 R A -2.4604
154 S A -1.9654
155 C A 0.0000
156 R A -2.9655
157 S A -2.3206
158 D A -1.9853
159 V A -1.1512
160 D A -1.1124
161 E A -1.4560
162 C A -1.4288
163 R A -1.6751
164 V A 0.1446
165 G A -0.9981
166 E A -2.3791
167 P A -1.6917
168 C A 0.0000
169 R A -3.0041
170 H A -2.0955
171 G A -1.7552
172 G A -1.7428
173 T A -1.2918
174 C A -1.4650
175 L A -0.7299
176 N A -1.2072
177 T A -0.8230
178 P A -0.9778
179 G A -1.1129
180 S A -0.8494
181 F A -0.9802
182 R A -1.8956
183 C A -1.6514
184 Q A -1.5548
185 C A -1.2703
186 P A -0.6451
187 A A 0.0243
188 G A 0.1113
189 Y A -0.4052
190 T A -0.6859
191 G A -0.9510
192 P A -1.0898
193 L A -1.3678
194 C A 0.0000
195 E A -1.7895
196 N A -1.5676
197 P A -0.3475
198 A A 0.4016
199 V A 1.1549
200 P A 0.0567
201 C A -0.2117
202 A A 0.2949
203 P A 0.0273
204 S A -0.6868
205 P A -1.1134
206 C A -2.0781
207 R A -2.7623
208 N A -1.8512
209 G A -1.2985
210 G A -1.4934
211 T A -1.1904
212 C A -1.8518
213 R A -2.9453
214 Q A -2.4060
215 S A -1.7970
216 G A -1.2795
217 D A -1.1867
218 L A 0.5650
219 T A -0.5823
220 Y A -1.6417
221 D A -2.8671
222 C A 0.0000
223 A A -0.9373
224 C A -0.7825
225 L A 0.1579
226 P A -0.0132
227 G A -0.4997
228 F A -0.9545
229 E A -1.9637
230 G A -1.9229
231 Q A -2.2951
232 N A -2.1816
233 C A 0.0000
234 E A -1.7862
235 V A -0.5786
236 N A -0.6051
237 V A -0.8428
238 D A -1.7358
239 D A -1.8862
240 C A -1.5474
241 P A -1.3920
242 G A -1.3553
243 H A -1.6510
244 R A -2.0190
245 C A 0.0000
246 L A 0.1075
247 N A -0.6739
248 G A -0.6037
249 G A -0.8067
250 T A -0.6503
251 C A -0.8786
252 V A -0.4596
253 D A -1.0610
254 G A -0.3290
255 V A 0.6430
256 N A -0.8277
257 T A -0.7924
258 Y A -1.4057
259 N A -1.8465
260 C A -1.3359
261 Q A -1.4052
262 C A -1.1001
263 P A -0.6640
264 P A -0.7995
265 E A -1.3513
266 W A -1.2413
267 T A -1.3791
268 G A -1.4143
269 Q A -1.8733
270 F A -1.3621
271 C A 0.0000
272 T A -1.2032
273 E A -2.1211
274 D A -1.5493
275 V A -1.1663
276 D A -1.3593
277 E A -1.3695
278 C A -0.9535
279 Q A -1.2395
280 L A -0.1527
281 Q A -1.5592
282 P A -1.5238
283 N A -2.1823
284 A A -1.3746
285 C A 0.0000
286 H A -2.1224
287 N A -1.6605
288 G A -0.9746
289 G A -0.1884
290 T A 0.6670
291 C A 0.3608
292 F A 1.4379
293 N A -0.1523
294 T A 0.2806
295 L A 0.6487
296 G A -0.5439
297 G A -0.3633
298 H A -0.4593
299 S A 0.1133
300 C A 0.6502
301 V A 1.9184
302 C A 0.3803
303 V A 0.6158
304 N A -0.3384
305 G A 0.0000
306 W A -0.4887
307 T A -0.8995
308 G A -1.3105
309 E A -2.0412
310 S A -1.5578
311 C A 0.0000
312 S A -1.6630
313 Q A -1.8149
314 N A -1.3004
315 I A -0.8143
316 D A -1.9954
317 D A -0.9784
318 C A -0.4598
319 A A -0.2878
320 T A -0.0060
321 A A 0.7678
322 V A 1.8128
323 C A 1.5644
324 F A 0.9382
325 H A -0.6560
326 G A -0.4745
327 A A 0.2017
328 T A 0.2397
329 C A 0.4541
330 H A -0.7696
331 D A -1.3170
332 R A -1.4410
333 V A -0.0394
334 A A -0.2958
335 S A -0.4726
336 F A 0.2108
337 Y A 1.0623
338 C A 0.0000
339 A A 0.6140
340 C A 0.5342
341 P A 0.1418
342 M A 0.8001
343 G A -0.0509
344 K A -1.0285
345 T A -0.5433
346 G A 0.5426
347 L A 2.2122
348 L A 1.6537
349 C A 0.0000
350 H A -0.0531
351 L A -1.1331
352 D A -2.2734
353 D A -1.4891
354 A A -1.2576
355 C A -0.4096
356 V A 0.6940
357 S A -0.0708
358 N A -0.9526
359 P A -0.8323
360 C A -1.1489
361 H A -1.9896
362 E A -2.5125
363 D A -1.8222
364 A A -0.5040
365 I A 1.1588
366 C A 0.0880
367 D A -1.1856
368 T A 0.0000
369 N A -1.0232
370 P A -0.2419
371 V A 0.8278
372 N A -1.3456
373 G A -1.9803
374 R A -2.4795
375 A A -1.1914
376 I A -0.0584
377 C A -0.1330
378 T A 0.4491
379 C A -0.1595
380 P A -0.1342
381 P A -0.3844
382 G A -0.7685
383 F A -1.3489
384 T A -1.2256
385 G A -1.4120
386 G A -0.8092
387 A A -1.0742
388 C A 0.0000
389 D A -2.9245
390 Q A -2.5998
391 D A -2.0313
392 V A -0.9342
393 D A -0.8502
394 E A -0.2116
395 C A -0.1144
396 S A 0.1687
397 I A 1.2619
398 G A 0.1475
399 A A -0.5207
400 N A -1.4687
401 P A -0.9927
402 C A 0.0000
403 E A -2.4110
404 H A -1.5957
405 L A -0.1049
406 G A 0.0000
407 R A -2.1703
408 C A 0.0000
409 V A 0.0642
410 N A -0.4466
411 T A -0.4735
412 Q A -1.6506
413 G A -1.2909
414 S A -0.3195
415 F A 0.3613
416 L A 0.7066
417 C A -0.9923
418 Q A -1.5658
419 C A -1.6519
420 G A -1.4142
421 R A -2.0397
422 G A -1.3571
423 Y A -1.2078
424 T A -1.4555
425 G A -1.3381
426 P A -1.1424
427 R A -2.3203
428 C A 0.0000
429 E A -2.2418
430 T A -1.5206
431 D A -1.6029
432 V A -0.9164
433 N A -1.0217
434 E A -1.0750
435 C A -0.2583
436 L A 0.8451
437 S A 0.0589
438 G A -0.4838
439 P A -0.3778
440 C A -0.9307
441 R A -2.2991
442 N A -2.1442
443 Q A -1.8493
444 A A -0.7596
445 T A -0.1291
446 C A 0.1030
447 L A -0.1855
448 D A -1.2852
449 R A -1.5788
450 I A -0.3932
451 G A 0.0000
452 Q A -1.6423
453 F A -0.6682
454 T A -0.0432
455 C A 0.3640
456 I A 0.8681
457 C A 0.3507
458 M A 0.0577
459 A A 0.1777
460 G A -0.7737
461 F A 0.0000
462 T A -0.2605
463 G A -0.1413
464 T A 0.1562
465 Y A 0.1015
466 C A 0.0000
467 E A -1.0207
468 V A -0.3783
469 D A -1.9882
470 I A -1.6867
471 D A -3.4549
472 E A -3.2172
473 C A -2.3167
474 Q A -2.3478
475 S A -1.4008
476 S A -0.5382
477 P A -0.0530
478 C A 0.3212
479 V A 0.5961
480 N A -0.7234
481 G A -0.2455
482 G A 0.3692
483 V A 1.2228
484 C A -0.5892
485 K A -2.3495
486 D A -3.7048
487 R A -2.9438
488 V A -0.6478
489 N A -1.5883
490 G A -1.5292
491 F A -1.5807
492 S A -0.7775
493 C A 0.1996
494 T A 0.3664
495 C A 0.3735
496 P A -0.3712
497 S A -1.0028
498 G A -2.0354
499 F A -1.0232
500 S A -0.4184
501 G A -0.5196
502 S A -0.2207
503 T A 0.0730
504 C A 0.0000
505 Q A -0.9520
506 L A -0.2578
507 D A -2.4813
508 V A -1.8927
509 D A -2.9684
510 E A -2.8495
511 C A -1.7757
512 A A -1.0045
513 S A -0.6963
514 T A -0.8505
515 P A 0.0000
516 C A 0.0000
517 R A -2.9507
518 N A -2.9295
519 G A -2.2455
520 A A -2.7946
521 K A -2.8891
522 C A -2.2868
523 V A -2.0547
524 D A -3.5559
525 Q A -3.3004
526 P A -2.7539
527 D A -3.0190
528 G A -2.3602
529 Y A -2.2837
530 E A -2.5392
531 C A -2.3388
532 R A -3.0535
533 C A -2.8925
534 A A -1.9503
535 E A -1.8969
536 G A -1.1503
537 F A -2.4386
538 E A -3.2676
539 G A -1.9941
540 T A -1.4456
541 L A -1.8713
542 C A 0.0000
543 D A -3.6040
544 R A -3.7548
545 N A -2.4227
546 V A -1.7773
547 D A -2.4149
548 D A -1.6027
549 C A -1.8671
550 S A -1.6914
551 P A -1.6066
552 D A -2.7850
553 P A -1.9918
554 C A 0.0000
555 H A -2.6037
556 H A -2.0389
557 G A -1.9331
558 R A -2.2998
559 C A -1.4425
560 V A -0.4836
561 D A -1.0707
562 G A 0.2114
563 I A 1.1505
564 A A -0.0447
565 S A 0.0029
566 F A -0.2472
567 S A -0.4254
568 C A -1.2392
569 A A -0.5642
570 C A -1.1027
571 A A -0.8410
572 P A -0.4952
573 G A -0.9600
574 Y A -1.1260
575 T A -1.0655
576 G A -1.3415
577 T A -1.0665
578 R A -2.4014
579 C A 0.0000
580 E A -2.7680
581 S A -1.8807
582 Q A -1.6890
583 V A -1.6841
584 D A -2.5766
585 E A -2.7470
586 C A 0.0000
587 R A -3.0708
588 S A -2.0372
589 Q A -2.9184
590 P A -1.5759
591 C A -1.8011
592 R A -2.7888
593 H A -1.7568
594 G A -2.0760
595 G A -2.2435
596 K A -2.8476
597 C A 0.0000
598 L A -1.0425
599 D A -2.1546
600 L A -0.2304
601 V A -0.0180
602 D A -2.1828
603 K A -1.9030
604 Y A -0.7174
605 L A 0.5003
606 C A 0.0000
607 R A -2.0802
608 C A -1.2906
609 P A -1.3416
610 S A -0.5797
611 G A -0.7344
612 T A 0.0000
613 T A 0.1713
614 G A 0.4348
615 V A 1.3988
616 N A -0.4921
617 C A 0.0000
618 E A -0.5291
619 V A 0.6360
620 N A -0.6854
621 I A 0.0314
622 D A -2.0071
623 D A -2.5917
624 C A 0.0000
625 A A -0.9785
626 S A -1.1828
627 N A -1.3558
628 P A -0.4221
629 C A -0.0212
630 T A 0.3806
631 F A 1.0150
632 G A 0.5537
633 V A 0.9657
634 C A -0.6994
635 R A -2.6194
636 D A -2.5307
637 G A -2.0249
638 I A -0.9849
639 N A -2.1583
640 R A -3.0571
641 Y A -2.5618
642 D A -2.2064
643 C A 0.0000
644 V A 0.5080
645 C A 0.1734
646 Q A -0.8734
647 P A -1.2399
648 G A 0.0000
649 F A -0.7317
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1952 V A -0.7149
1953 E A -1.9588
1954 A A 0.0000
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1960 K A -2.2883
1961 N A -2.5094
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1967 M A -1.2992
1968 Q A -1.7251
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1971 K A -1.6475
1972 E A -2.3833
1973 E A 0.0000
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1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -1.7670
1982 E A -1.2787
1983 G A -1.0150
1984 S A 0.0000
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1986 E A -1.5888
1987 A A 0.0000
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1990 L A -0.8393
1991 L A 0.0000
1992 L A -0.8121
1993 D A -1.5160
1994 H A -0.5596
1995 F A 0.4788
1996 A A 0.0000
1997 N A -1.1026
1998 R A -1.5233
1999 E A -2.1418
2000 I A -1.5799
2001 T A -1.7537
2002 D A 0.0000
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2006 R A -1.6804
2007 L A -1.4984
2008 P A 0.0000
2009 R A -3.0335
2010 D A -2.7327
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.0018
2015 R A -2.4870
2016 L A -0.5865
2017 H A -1.6331
2018 Q A -1.8305
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2235 F A 1.3946
2236 L A 1.4979
2237 R A -0.0453
2238 V A 1.0858
2239 P A -0.4598
2240 S A -1.3006
2241 E A -2.1293
2242 H A -1.5324
2243 P A -0.1779
2244 Y A 1.4044
2245 L A 1.8372
2246 T A 0.8279
2247 P A -0.0807
2248 S A -0.7871
2249 P A -1.4138
2250 E A -2.4325
2251 S A -1.8881
2252 P A -1.8050
2253 E A -2.3806
2254 H A -1.3913
2255 W A 0.1172
2256 A A -0.0386
2257 S A -0.1941
2258 P A -0.3952
2259 S A -0.5886
2260 P A -0.4305
2261 P A -0.1948
2262 S A 0.0960
2263 L A 1.0067
2264 S A -0.1739
2265 D A -1.3001
2266 W A -0.2032
2267 S A -1.1099
2268 E A -1.9513
2269 S A -1.1352
2270 T A -0.9197
2271 P A -0.6310
2272 S A -0.4926
2273 P A -0.4075
2274 A A -0.1772
2275 T A -0.1688
2276 A A -0.1298
2277 T A -0.1554
2278 G A -0.2119
2279 A A 0.3354
2280 M A 0.9689
2281 A A 0.4800
2282 T A 0.1157
2283 T A -0.1324
2284 T A -0.1632
2285 G A -0.1670
2286 A A 0.5143
2287 L A 1.2182
2288 P A 0.1503
2289 A A -0.0839
2290 Q A -0.7917
2291 P A 0.0212
2292 L A 1.3853
2293 P A 1.1686
2294 L A 2.1987
2295 S A 1.4347
2296 V A 1.8805
2297 P A 0.7324
2298 S A 0.2234
2299 S A 0.5447
2300 L A 1.1090
2301 A A 0.0789
2302 Q A -1.1062
2303 A A -1.0981
2304 Q A -1.6271
2305 T A -1.0086
2306 Q A -0.9326
2307 L A 0.3828
2308 G A -0.5010
2309 P A -0.9608
2310 Q A -1.5376
2311 P A -1.4426
2312 E A -1.3350
2313 V A 0.3553
2314 T A -0.2214
2315 P A -1.3390
2316 K A -2.8488
2317 R A -2.7768
2318 Q A -1.3506
2319 V A 1.5630
2320 L A 2.0038
2321 A A 1.0784
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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 -0.0575 7.4136 View CSV PDB
4.5 -0.1412 7.3687 View CSV PDB
5.0 -0.2425 7.3687 View CSV PDB
5.5 -0.3472 7.3687 View CSV PDB
6.0 -0.4428 7.3687 View CSV PDB
6.5 -0.5215 7.3687 View CSV PDB
7.0 -0.5835 7.3687 View CSV PDB
7.5 -0.6341 7.3687 View CSV PDB
8.0 -0.6765 7.3687 View CSV PDB
8.5 -0.7093 7.3687 View CSV PDB
9.0 -0.729 7.3687 View CSV PDB