Project name: R153C

Status: done

Started: 2026-05-08 01:41:21
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGCSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:22)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:22)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:29:20)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5f35dbedf97e013/tmp/folded.pdb                (00:29:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:59:21)
Show buried residues

Minimal score value
-4.6862
Maximal score value
5.5946
Average score
-0.7623
Total score value
-1769.233

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 0.7123
2 G A -0.1950
3 P A -0.6318
4 G A -0.9667
5 A A -1.3451
6 R A -2.5410
7 G A -2.6864
8 R A -3.8114
9 R A -4.5214
10 R A -4.5724
11 R A -4.5966
12 R A -4.4460
13 R A -3.0564
14 P A -1.0888
15 M A 0.3240
16 S A -0.1225
17 P A -0.3018
18 P A -0.6170
19 P A -0.6143
20 P A -0.6269
21 P A -0.4405
22 P A -0.3729
23 P A -0.0034
24 V A 0.8658
25 R A -0.6866
26 A A 0.5261
27 L A 1.8182
28 P A 1.6868
29 L A 3.2725
30 L A 3.8205
31 L A 3.9231
32 L A 3.6632
33 L A 2.7798
34 A A 1.1188
35 G A 0.0117
36 P A -0.4711
37 G A -0.6610
38 A A -0.2649
39 A A -0.3125
40 A A -0.8296
41 P A -0.5014
42 P A -1.0122
43 C A -0.8310
44 L A 0.4061
45 D A -1.3214
46 G A -0.9325
47 S A -0.8769
48 P A -1.3775
49 C A 0.0000
50 A A -1.7634
51 N A -1.8459
52 G A -1.3937
53 G A -1.4527
54 R A -1.7444
55 C A -0.8543
56 T A -0.7265
57 Q A -1.7226
58 L A -1.0932
59 P A -1.1804
60 S A -1.6407
61 R A -2.9522
62 E A -2.8793
63 A A -1.6247
64 A A -1.4044
65 C A -1.1203
66 L A 0.3779
67 C A -0.5201
68 P A -0.1959
69 P A -0.4632
70 G A -1.0026
71 W A -1.0769
72 V A -1.0781
73 G A -1.3632
74 E A -2.4394
75 R A -2.9054
76 C A 0.0000
77 Q A -2.5113
78 L A -1.7973
79 E A -2.3537
80 D A -1.7064
81 P A -1.3960
82 C A -1.0486
83 H A -1.6585
84 S A -1.1480
85 G A -0.8540
86 P A -0.4134
87 C A -0.8256
88 A A -0.6030
89 G A -1.1949
90 R A -1.9155
91 G A -1.1483
92 V A 0.3792
93 C A -0.4021
94 Q A -1.1189
95 S A -0.6695
96 S A -0.1686
97 V A 0.6178
98 V A 1.5387
99 A A 0.6128
100 G A -0.2867
101 T A -0.1674
102 A A 0.0000
103 R A -1.2553
104 F A -0.7018
105 S A -0.9340
106 C A -1.0202
107 R A -1.7687
108 C A -1.1567
109 P A -1.3089
110 R A -1.9386
111 G A -0.3441
112 F A -0.2040
113 R A -0.5975
114 G A -0.5536
115 P A -0.7386
116 D A -0.7561
117 C A 0.0000
118 S A -0.1097
119 L A 0.4360
120 P A 0.1319
121 D A -0.0938
122 P A 0.0684
123 C A 0.2713
124 L A 0.6428
125 S A 0.2085
126 S A -0.1713
127 P A -0.1067
128 C A -0.7631
129 A A -1.3731
130 H A -1.7046
131 G A -1.2882
132 A A -1.5856
133 R A -1.8904
134 C A -0.3620
135 S A -0.1944
136 V A -0.0349
137 G A -0.7194
138 P A -1.2631
139 D A -2.3191
140 G A -1.6152
141 R A -2.0050
142 F A -0.2801
143 L A 0.3782
144 C A -0.1980
145 S A -0.6223
146 C A -0.9459
147 P A -0.8058
148 P A -0.5032
149 G A -0.8985
150 Y A -1.5878
151 Q A -1.8995
152 G A -1.2156
153 C A 0.1786
154 S A -0.6976
155 C A 0.0000
156 R A -2.5093
157 S A -1.9843
158 D A -2.0368
159 V A -1.2525
160 D A -1.1847
161 E A -1.3892
162 C A -1.3683
163 R A -1.6668
164 V A 0.1348
165 G A -1.0047
166 E A -2.3752
167 P A -1.7694
168 C A 0.0000
169 R A -3.0288
170 H A -2.1346
171 G A -1.7324
172 G A -1.7382
173 T A -1.2369
174 C A -1.3467
175 L A -0.4745
176 N A -1.0854
177 T A 0.0000
178 P A -0.9963
179 G A -1.1248
180 S A -0.8106
181 F A -0.8944
182 R A -1.7972
183 C A -1.5961
184 Q A -1.5240
185 C A -1.3153
186 P A -0.6643
187 A A -0.0058
188 G A 0.0543
189 Y A -0.4248
190 T A -0.6783
191 G A -0.9333
192 P A -1.1024
193 L A -1.4001
194 C A 0.0000
195 E A -1.7459
196 N A -1.5479
197 P A -0.3551
198 A A 0.3842
199 V A 1.1833
200 P A 0.0257
201 C A -0.2141
202 A A 0.3261
203 P A 0.0569
204 S A -0.6743
205 P A -1.1422
206 C A 0.0000
207 R A -3.0638
208 N A -2.0495
209 G A -1.3988
210 G A -1.6405
211 T A -1.1993
212 C A -1.8292
213 R A -2.9041
214 Q A -2.4029
215 S A -1.8226
216 G A -1.3649
217 D A -1.3358
218 L A 0.2498
219 T A -0.7054
220 Y A -1.6152
221 D A -2.7641
222 C A 0.0000
223 A A -0.9309
224 C A -0.8988
225 L A 0.1411
226 P A 0.0019
227 G A -0.3824
228 F A -1.0702
229 E A -2.2661
230 G A -2.0770
231 Q A -2.4247
232 N A -2.4420
233 C A 0.0000
234 E A -2.6271
235 V A -0.7387
236 N A -0.6489
237 V A -0.8144
238 D A -1.7195
239 D A -1.5708
240 C A -1.3880
241 P A -1.3290
242 G A -1.3173
243 H A -1.6002
244 R A -2.1305
245 C A 0.0000
246 L A -0.0038
247 N A -0.8854
248 G A -0.6303
249 G A -0.8236
250 T A -0.6084
251 C A -0.7324
252 V A -0.1689
253 D A -0.8998
254 G A -0.2367
255 V A 0.7039
256 N A -0.6841
257 T A -0.6700
258 Y A -1.2371
259 N A -1.7756
260 C A -1.3080
261 Q A -1.3704
262 C A -1.1594
263 P A -0.6869
264 P A -0.7759
265 E A -1.3802
266 W A -1.2846
267 T A -1.4703
268 G A -1.6445
269 Q A -1.9368
270 F A -1.4117
271 C A 0.0000
272 T A -1.2696
273 E A -2.1829
274 D A -1.5623
275 V A 0.0000
276 D A -1.6824
277 E A -1.3570
278 C A -1.2718
279 Q A -1.4037
280 L A -0.1715
281 Q A -1.5365
282 P A -1.4932
283 N A -2.1120
284 A A -1.4784
285 C A 0.0000
286 H A -2.0868
287 N A -1.7123
288 G A -1.1713
289 G A -0.6269
290 T A 0.0628
291 C A -0.2896
292 F A 0.0779
293 N A -0.8287
294 T A -0.0196
295 L A 0.6281
296 G A -0.5146
297 G A -0.5037
298 H A -0.8814
299 S A -0.3646
300 C A 0.1372
301 V A 1.3122
302 C A 0.0124
303 V A 0.0660
304 N A -0.6725
305 G A 0.0000
306 W A -0.6114
307 T A -1.0284
308 G A -1.3542
309 E A -2.0817
310 S A -1.5708
311 C A 0.0000
312 S A -1.6239
313 Q A -1.7833
314 N A -1.2302
315 I A -0.7423
316 D A -1.9516
317 D A -0.9495
318 C A -0.4475
319 A A -0.2593
320 T A 0.0268
321 A A 0.8388
322 V A 1.9988
323 C A 1.6651
324 F A 1.0333
325 H A -0.6085
326 G A -0.4854
327 A A 0.2341
328 T A 0.2547
329 C A 0.4627
330 H A -0.8050
331 D A -1.2939
332 R A -1.3744
333 V A 0.0669
334 A A -0.3252
335 S A -0.4803
336 F A 0.1911
337 Y A 0.9479
338 C A 0.0000
339 A A 0.5981
340 C A 0.5409
341 P A 0.1482
342 M A 0.8248
343 G A -0.0110
344 K A -0.9692
345 T A -0.4877
346 G A 0.4286
347 L A 2.2506
348 L A 1.7466
349 C A 0.0000
350 H A -0.0101
351 L A -1.0801
352 D A -2.2556
353 D A -1.4446
354 A A -1.2265
355 C A -0.3844
356 V A 0.8315
357 S A -0.0115
358 N A -1.1018
359 P A -0.8771
360 C A -1.3156
361 H A -2.2254
362 E A -2.9043
363 D A -2.4137
364 A A -0.9280
365 I A 0.9093
366 C A -0.2546
367 D A -1.3340
368 T A 0.0000
369 N A -0.8819
370 P A -0.1583
371 V A 0.7262
372 N A -1.3201
373 G A -1.9234
374 R A -2.4563
375 A A 0.0000
376 I A -0.2500
377 C A -0.3116
378 T A 0.3007
379 C A -0.3033
380 P A -0.3264
381 P A -0.4333
382 G A -0.7591
383 F A -1.3556
384 T A -1.1871
385 G A -1.2307
386 G A -1.0872
387 A A -1.0439
388 C A 0.0000
389 D A -2.9098
390 Q A -2.4944
391 D A -1.9229
392 V A -1.2211
393 D A -1.3920
394 E A -0.6631
395 C A -0.4564
396 S A -1.0048
397 I A -0.2222
398 G A -0.3493
399 A A -0.5615
400 N A -1.5608
401 P A -1.0215
402 C A 0.0000
403 E A -1.9575
404 H A -1.2936
405 L A 0.0926
406 G A 0.0000
407 R A -2.0854
408 C A 0.0000
409 V A 0.1136
410 N A -0.4473
411 T A -0.4655
412 Q A -1.5228
413 G A -1.2872
414 S A -0.3067
415 F A 0.3480
416 L A 0.6009
417 C A -0.9471
418 Q A -1.5775
419 C A -1.5654
420 G A -1.2820
421 R A -1.9873
422 G A 0.0000
423 Y A -1.1801
424 T A -1.4924
425 G A -1.4299
426 P A -1.3291
427 R A -2.2927
428 C A 0.0000
429 E A -2.2511
430 T A -1.7582
431 D A -1.7939
432 V A -0.5712
433 N A -0.4405
434 E A -0.3725
435 C A 0.0957
436 L A 1.0784
437 S A 0.1953
438 G A -0.4333
439 P A -0.3130
440 C A -0.8315
441 R A -2.1981
442 N A -1.9099
443 Q A -1.7279
444 A A -0.5130
445 T A 0.0972
446 C A 0.2554
447 L A -0.4125
448 D A -0.8941
449 R A -0.6364
450 I A 0.3607
451 G A 0.0000
452 Q A -1.0600
453 F A -0.0952
454 T A 0.2804
455 C A 0.7143
456 I A 1.7529
457 C A 0.7991
458 M A 0.2618
459 A A 0.3134
460 G A 0.0000
461 F A 0.0000
462 T A -0.0023
463 G A 0.0273
464 T A 0.2870
465 Y A 0.2535
466 C A 0.0000
467 E A -0.9511
468 V A -0.1761
469 D A -1.5576
470 I A -1.1997
471 D A -2.9277
472 E A -2.4344
473 C A -1.9381
474 Q A -2.0871
475 S A -1.2173
476 S A -0.5584
477 P A 0.0537
478 C A 0.3175
479 V A 0.5324
480 N A -0.7305
481 G A -0.2664
482 G A 0.3557
483 V A 1.2135
484 C A -0.4875
485 K A -2.2460
486 D A -3.4768
487 R A -2.8199
488 V A -0.6832
489 N A -1.4324
490 G A -1.3401
491 F A -1.4116
492 S A -0.7184
493 C A 0.2009
494 T A 0.3774
495 C A 0.3905
496 P A -0.3579
497 S A -1.0684
498 G A -1.9859
499 F A -1.0802
500 S A -0.5626
501 G A -0.3065
502 S A -0.1651
503 T A 0.1058
504 C A 0.0000
505 Q A -0.9426
506 L A -0.2826
507 D A -2.4384
508 V A -1.8597
509 D A -2.8842
510 E A -2.7000
511 C A -1.7319
512 A A -0.9839
513 S A -0.6918
514 T A -0.9581
515 P A -1.0628
516 C A 0.0000
517 R A -3.1222
518 N A -2.3472
519 G A -2.1061
520 A A -2.7863
521 K A -2.8913
522 C A -2.3526
523 V A -2.0324
524 D A -3.4407
525 Q A -3.0806
526 P A -2.5128
527 D A -2.9329
528 G A -2.2751
529 Y A -2.2294
530 E A -2.5836
531 C A -2.4744
532 R A -3.1616
533 C A -2.9448
534 A A -1.9448
535 E A -1.9135
536 G A -1.2038
537 F A -2.5747
538 E A -3.4911
539 G A -2.3370
540 T A -1.5555
541 L A -1.8902
542 C A 0.0000
543 D A -3.6488
544 R A -3.6454
545 N A -2.5049
546 V A -1.9765
547 D A -2.4550
548 D A -1.5919
549 C A -1.7909
550 S A -1.6806
551 P A -1.5924
552 D A -2.7243
553 P A -1.8230
554 C A 0.0000
555 H A -2.7955
556 H A -2.4520
557 G A -2.0803
558 R A -2.2815
559 C A -1.5038
560 V A -0.1542
561 D A -0.8864
562 G A 0.3078
563 I A 0.9051
564 A A -0.0629
565 S A -0.0045
566 F A -0.1627
567 S A -0.3100
568 C A -1.1992
569 A A -0.5437
570 C A -1.2942
571 A A -1.0420
572 P A -0.7397
573 G A 0.0000
574 Y A -1.2775
575 T A -1.2489
576 G A -1.3890
577 T A -1.0730
578 R A -2.4848
579 C A 0.0000
580 E A -2.9471
581 S A -2.0044
582 Q A -1.5349
583 V A -1.4035
584 D A -2.5000
585 E A -2.1984
586 C A -2.2957
587 R A -2.9366
588 S A -1.9161
589 Q A -2.7773
590 P A -1.4771
591 C A -1.7953
592 R A -2.7888
593 H A -1.8357
594 G A -2.1580
595 G A -2.2907
596 K A -2.8007
597 C A -1.7659
598 L A -0.9972
599 D A -1.8765
600 L A -0.0507
601 V A 0.1591
602 D A -1.9292
603 K A -1.7394
604 Y A -0.5858
605 L A 0.3489
606 C A -1.0304
607 R A -2.0845
608 C A -1.3143
609 P A -1.2238
610 S A -0.4861
611 G A -0.7130
612 T A 0.0000
613 T A 0.1628
614 G A 0.4784
615 V A 1.4193
616 N A -0.4614
617 C A 0.0000
618 E A -0.5896
619 V A 0.6510
620 N A -0.6819
621 I A -0.1600
622 D A -2.3374
623 D A -2.9552
624 C A 0.0000
625 A A -1.1527
626 S A -1.2749
627 N A -1.4551
628 P A -0.6436
629 C A -0.2232
630 T A 0.1977
631 F A 0.8564
632 G A 0.3534
633 V A 0.5897
634 C A 0.0000
635 R A -2.6180
636 D A -2.7368
637 G A -2.0406
638 I A -0.6635
639 N A -2.1086
640 R A -3.1438
641 Y A -2.7143
642 D A -2.2742
643 C A -0.4297
644 V A 1.0246
645 C A 0.4821
646 Q A -1.1101
647 P A -1.2501
648 G A -1.8447
649 F A -0.6078
650 T A 0.2884
651 G A 0.3099
652 P A -0.1349
653 L A 0.4422
654 C A 0.0000
655 N A -0.4422
656 V A 0.5498
657 E A -1.6805
658 I A -1.0679
659 N A -2.1885
660 E A -2.4821
661 C A -1.2718
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1953 E A -1.9284
1954 A A 0.0000
1955 T A 0.0000
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1960 K A -2.2148
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1967 M A -1.1678
1968 Q A -1.9748
1969 D A 0.0000
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1971 K A -1.8827
1972 E A -2.6479
1973 E A 0.0000
1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
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1980 A A 0.0000
1981 R A -2.1533
1982 E A -1.7386
1983 G A -1.4005
1984 S A 0.0000
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1986 E A -1.5040
1987 A A 0.0000
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1989 K A -1.4499
1990 L A -0.7694
1991 L A 0.0000
1992 L A 0.0000
1993 D A -1.5022
1994 H A -0.4032
1995 F A 1.0165
1996 A A 0.0000
1997 N A -0.3587
1998 R A -0.7840
1999 E A -1.1699
2000 I A -0.9792
2001 T A -1.4936
2002 D A 0.0000
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2006 R A -1.4956
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2008 P A 0.0000
2009 R A -2.9582
2010 D A -2.7277
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -3.2374
2015 R A -3.0258
2016 L A -0.8723
2017 H A -1.9619
2018 Q A -2.0736
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2244 Y A 1.3622
2245 L A 1.8339
2246 T A 0.8642
2247 P A -0.0847
2248 S A -0.7946
2249 P A -1.4353
2250 E A -2.4945
2251 S A -1.9777
2252 P A -1.8906
2253 E A -2.4767
2254 H A -1.3740
2255 W A 0.1057
2256 A A -0.1325
2257 S A -0.0821
2258 P A -0.1613
2259 S A -0.4500
2260 P A -0.3784
2261 P A -0.3371
2262 S A 0.1478
2263 L A 1.1713
2264 S A 0.3953
2265 D A -0.4137
2266 W A 0.2991
2267 S A -0.7860
2268 E A -1.8315
2269 S A -1.1402
2270 T A -0.9595
2271 P A -0.7334
2272 S A -0.4983
2273 P A -0.4152
2274 A A -0.1810
2275 T A -0.1820
2276 A A -0.1227
2277 T A -0.2688
2278 G A -0.2073
2279 A A 0.3385
2280 M A 0.9726
2281 A A 0.4681
2282 T A 0.1309
2283 T A -0.1285
2284 T A -0.1648
2285 G A -0.1947
2286 A A 0.5329
2287 L A 1.2279
2288 P A 0.1603
2289 A A -0.0874
2290 Q A -0.7889
2291 P A 0.0276
2292 L A 1.4020
2293 P A 1.1997
2294 L A 2.1905
2295 S A 1.4623
2296 V A 1.8941
2297 P A 0.7120
2298 S A 0.2264
2299 S A 0.2882
2300 L A 1.1359
2301 A A 0.0319
2302 Q A -1.1056
2303 A A -1.0570
2304 Q A -1.5930
2305 T A -0.8835
2306 Q A -0.8970
2307 L A 0.3922
2308 G A -0.4824
2309 P A -0.9617
2310 Q A -1.5363
2311 P A -1.4334
2312 E A -1.3405
2313 V A 0.3666
2314 T A -0.4464
2315 P A -1.3603
2316 K A -2.9170
2317 R A -2.8609
2318 Q A -1.2862
2319 V A 1.5764
2320 L A 2.0044
2321 A A 1.0831
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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 -0.0743 7.0535 View CSV PDB
4.5 -0.1594 7.0535 View CSV PDB
5.0 -0.2618 7.0535 View CSV PDB
5.5 -0.3675 7.0535 View CSV PDB
6.0 -0.4639 7.0535 View CSV PDB
6.5 -0.5432 7.0535 View CSV PDB
7.0 -0.6052 7.0535 View CSV PDB
7.5 -0.6557 7.0535 View CSV PDB
8.0 -0.6986 7.0535 View CSV PDB
8.5 -0.7318 7.0535 View CSV PDB
9.0 -0.7518 7.0535 View CSV PDB