Project name: R1220G

Status: done

Started: 2026-05-15 06:36:12
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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.  (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:18)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:23)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/5968d4b97860802/tmp/folded.pdb                (00:17:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:38:46)
Show buried residues

Minimal score value
-4.7773
Maximal score value
5.5632
Average score
-0.7568
Total score value
-1756.4935

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 0.7642
2 G A -0.1767
3 P A -0.4635
4 G A -1.1353
5 A A -1.3395
6 R A -2.7785
7 G A -2.6982
8 R A -3.8466
9 R A -4.6099
10 R A -4.7773
11 R A -4.5533
12 R A -4.1785
13 R A -3.2693
14 P A -1.3684
15 M A 0.0309
16 S A -0.1733
17 P A -0.3598
18 P A -0.5118
19 P A -0.6836
20 P A -0.6932
21 P A -0.3872
22 P A -0.3397
23 P A -0.0865
24 V A 0.8709
25 R A -0.6408
26 A A 0.7445
27 L A 2.1009
28 P A 2.0325
29 L A 3.7761
30 L A 4.1769
31 L A 4.0421
32 L A 3.7991
33 L A 3.2494
34 A A 1.5711
35 G A 0.2371
36 P A -0.2878
37 G A -0.6755
38 A A -0.3107
39 A A -0.1636
40 A A -0.3071
41 P A -0.9907
42 P A -0.7167
43 C A -0.5290
44 L A 0.5103
45 D A -0.6813
46 G A -0.5759
47 S A -0.4304
48 P A -0.7142
49 C A -1.0545
50 A A -1.1790
51 N A -1.6030
52 G A -1.2039
53 G A -1.0998
54 R A -1.4454
55 C A 0.0599
56 T A -0.6007
57 Q A -1.7548
58 L A -1.1575
59 P A -1.3458
60 S A -1.8162
61 R A -3.0720
62 E A -2.7989
63 A A 0.0000
64 A A -0.8661
65 C A 0.0000
66 L A 0.4736
67 C A -0.1222
68 P A -0.2810
69 P A -0.4879
70 G A -1.0206
71 W A -0.8331
72 V A -0.7731
73 G A -0.8785
74 E A -1.8791
75 R A -1.5890
76 C A 0.0000
77 Q A -1.4916
78 L A -1.3854
79 E A -2.3008
80 D A -1.6582
81 P A -1.4421
82 C A -1.0476
83 H A -1.5488
84 S A -1.1499
85 G A -0.8735
86 P A -0.5695
87 C A -0.7797
88 A A -0.4951
89 G A -0.9142
90 R A -1.6164
91 G A -1.0541
92 V A 0.4271
93 C A -0.3767
94 Q A -1.0594
95 S A -0.6757
96 S A -0.1723
97 V A 0.6360
98 V A 1.3895
99 A A 0.5350
100 G A -0.2502
101 T A -0.2766
102 A A -0.6056
103 R A -1.4963
104 F A -0.7362
105 S A -0.9206
106 C A -0.9914
107 R A -1.7644
108 C A -1.0396
109 P A -1.2121
110 R A -1.7377
111 G A -0.3464
112 F A -0.2601
113 R A -0.6261
114 G A -0.5243
115 P A -0.7559
116 D A -0.7606
117 C A 0.0000
118 S A -0.2444
119 L A 0.4676
120 P A -0.1006
121 D A -0.1644
122 P A 0.0730
123 C A 0.2782
124 L A 0.6747
125 S A 0.2278
126 S A -0.1715
127 P A -0.3986
128 C A -1.1673
129 A A -1.5257
130 H A -1.6599
131 G A -1.3022
132 A A -1.4546
133 R A -1.8952
134 C A 0.0000
135 S A -0.1612
136 V A 0.0044
137 G A -0.6991
138 P A -1.2258
139 D A -2.2635
140 G A -1.5041
141 R A -1.9532
142 F A -0.5405
143 L A 0.0106
144 C A -0.7980
145 S A -0.9428
146 C A -1.2995
147 P A -0.8023
148 P A -0.4803
149 G A -0.8905
150 Y A -1.7730
151 Q A -2.4012
152 G A -2.4487
153 R A -2.3727
154 S A -1.9130
155 C A 0.0000
156 R A -2.8902
157 S A -2.2374
158 D A -1.8431
159 V A -1.2506
160 D A -1.3315
161 E A -1.5649
162 C A -1.4759
163 R A -1.8400
164 V A 0.0678
165 G A -1.0294
166 E A -2.3782
167 P A -1.7198
168 C A 0.0000
169 R A -2.9347
170 H A -2.2265
171 G A -1.7438
172 G A -1.7647
173 T A -1.2377
174 C A -1.3669
175 L A -0.3480
176 N A -1.1759
177 T A -0.7900
178 P A -0.9690
179 G A -1.0954
180 S A -0.8316
181 F A -0.9639
182 R A -1.8418
183 C A -1.5949
184 Q A -1.3383
185 C A -1.3555
186 P A -0.6739
187 A A 0.0824
188 G A 0.0636
189 Y A -0.6481
190 T A -0.7984
191 G A -1.2256
192 P A -1.1655
193 L A -1.4799
194 C A 0.0000
195 E A -1.9622
196 N A -1.6685
197 P A -0.6176
198 A A 0.2478
199 V A 0.8925
200 P A -0.0922
201 C A -0.2757
202 A A 0.1774
203 P A -0.0424
204 S A -0.7453
205 P A -1.1277
206 C A 0.0000
207 R A -2.7747
208 N A -1.8022
209 G A -1.2706
210 G A -1.4853
211 T A -1.1903
212 C A -1.8517
213 R A -2.9346
214 Q A -2.4091
215 S A -1.7368
216 G A -1.3633
217 D A -1.1361
218 L A 0.7218
219 T A -0.4964
220 Y A -1.5864
221 D A -2.8070
222 C A 0.0000
223 A A -0.9145
224 C A -0.7645
225 L A 0.2149
226 P A 0.0002
227 G A -0.4121
228 F A -0.9881
229 E A -2.0155
230 G A -1.8311
231 Q A -2.3195
232 N A -2.2075
233 C A 0.0000
234 E A -1.8401
235 V A -0.6784
236 N A -0.6363
237 V A -0.8960
238 D A -1.6681
239 D A -1.6538
240 C A -1.5773
241 P A -1.3266
242 G A -1.3109
243 H A -1.6011
244 R A -2.0953
245 C A 0.0000
246 L A 0.0956
247 N A -0.8144
248 G A -0.5904
249 G A -0.8109
250 T A -0.6694
251 C A -0.8430
252 V A -0.4309
253 D A -1.0295
254 G A -0.3505
255 V A 0.6448
256 N A -0.7922
257 T A -0.7603
258 Y A -1.3241
259 N A -1.8607
260 C A -1.3579
261 Q A -1.4200
262 C A -1.1162
263 P A -0.6284
264 P A -0.7051
265 E A -1.1527
266 W A -1.0834
267 T A -1.4804
268 G A -1.6731
269 Q A -1.9579
270 F A -1.3970
271 C A 0.0000
272 T A -1.2165
273 E A -2.0215
274 D A -1.2345
275 V A -0.8204
276 D A -0.8982
277 E A -1.0834
278 C A -0.8678
279 Q A -1.1319
280 L A -0.0182
281 Q A -1.4755
282 P A -1.4939
283 N A -2.1297
284 A A -1.4464
285 C A 0.0000
286 H A -2.0205
287 N A -1.6821
288 G A -1.3269
289 G A -0.5079
290 T A 0.2033
291 C A 0.1601
292 F A 1.0727
293 N A -0.2078
294 T A 0.3453
295 L A 0.7924
296 G A -0.3598
297 G A -0.2037
298 H A -0.4173
299 S A -0.1044
300 C A 0.2932
301 V A 1.2387
302 C A -0.1159
303 V A -0.5515
304 N A -0.7465
305 G A 0.0000
306 W A -0.6267
307 T A -0.9421
308 G A -1.2982
309 E A -2.0530
310 S A -1.5206
311 C A 0.0000
312 S A -1.5449
313 Q A -1.7145
314 N A -1.2573
315 I A -0.6284
316 D A -1.7492
317 D A -0.8802
318 C A -0.4222
319 A A -0.1745
320 T A 0.2263
321 A A 0.8666
322 V A 1.9621
323 C A 1.6521
324 F A 0.9431
325 H A -0.8413
326 G A -0.5128
327 A A 0.2548
328 T A 0.2084
329 C A 0.2473
330 H A -0.8555
331 D A -1.6267
332 R A -1.5804
333 V A -0.2737
334 A A -0.1814
335 S A -0.2229
336 F A 0.2833
337 Y A 1.1893
338 C A 0.0000
339 A A 0.7242
340 C A 0.6246
341 P A 0.2045
342 M A 0.8636
343 G A -0.0703
344 K A -0.8664
345 T A -0.6058
346 G A 0.4422
347 L A 2.2058
348 L A 1.7333
349 C A 0.0000
350 H A -0.3104
351 L A -1.2193
352 D A -2.4575
353 D A -1.6616
354 A A -1.4830
355 C A -0.5324
356 V A 0.6439
357 S A -0.2077
358 N A -1.1036
359 P A -1.1145
360 C A 0.0000
361 H A -2.1481
362 E A -2.8530
363 D A -2.1920
364 A A -0.8561
365 I A 0.9690
366 C A -0.2327
367 D A -1.3246
368 T A 0.0000
369 N A -1.2701
370 P A -0.3312
371 V A 0.8322
372 N A -1.3484
373 G A -2.0153
374 R A -2.4637
375 A A -1.3906
376 I A -0.0218
377 C A -0.2279
378 T A 0.3612
379 C A -0.2996
380 P A 0.0000
381 P A -0.4253
382 G A -0.7133
383 F A -1.4229
384 T A -1.2062
385 G A -1.3984
386 G A -0.9637
387 A A -1.3094
388 C A 0.0000
389 D A -2.9111
390 Q A -2.5725
391 D A -1.9653
392 V A -0.8975
393 D A -0.9741
394 E A -0.1938
395 C A -0.1554
396 S A 0.1527
397 I A 1.3095
398 G A 0.0877
399 A A -0.4867
400 N A -1.4524
401 P A -1.0364
402 C A 0.0000
403 E A -2.6280
404 H A -1.3909
405 L A -0.0582
406 G A 0.0000
407 R A -2.0843
408 C A 0.0000
409 V A 0.1121
410 N A -0.4199
411 T A -0.4173
412 Q A -1.6777
413 G A -1.4382
414 S A -0.2494
415 F A 0.1985
416 L A 0.7602
417 C A -1.0060
418 Q A -1.5440
419 C A -1.8577
420 G A -1.3162
421 R A -1.9315
422 G A 0.0000
423 Y A -1.3366
424 T A -1.6080
425 G A -1.5258
426 P A -1.2227
427 R A -2.6072
428 C A 0.0000
429 E A -2.7105
430 T A -1.8581
431 D A -1.9199
432 V A -0.8185
433 N A -0.7775
434 E A -0.6646
435 C A -0.1480
436 L A 1.0186
437 S A 0.1870
438 G A -0.5003
439 P A -0.3440
440 C A -0.7905
441 R A -2.3736
442 N A -1.9428
443 Q A -1.7751
444 A A -0.3562
445 T A 0.2886
446 C A 0.2609
447 L A -0.0890
448 D A -1.5523
449 R A -1.8885
450 I A -0.2984
451 G A 0.0000
452 Q A -1.6200
453 F A -0.6849
454 T A 0.0698
455 C A 0.8899
456 I A 2.3606
457 C A 0.8226
458 M A 0.3723
459 A A 0.3523
460 G A -0.8423
461 F A -0.2533
462 T A -0.0146
463 G A 0.0063
464 T A 0.3059
465 Y A 0.2606
466 C A 0.0000
467 E A -1.1570
468 V A -0.3427
469 D A -1.8861
470 I A -1.6296
471 D A -3.3805
472 E A -3.1124
473 C A -2.2916
474 Q A -2.2932
475 S A -1.3572
476 S A -0.6736
477 P A -0.1544
478 C A 0.2856
479 V A 0.5714
480 N A -0.7167
481 G A -0.2629
482 G A 0.3558
483 V A 1.2106
484 C A -0.6276
485 K A -2.4454
486 D A -3.7625
487 R A -2.9901
488 V A -0.6871
489 N A -1.5334
490 G A -1.5672
491 F A -1.7553
492 S A -0.9172
493 C A 0.1562
494 T A 0.3452
495 C A 0.3629
496 P A -0.3166
497 S A -0.9282
498 G A -1.9305
499 F A -1.1388
500 S A -0.6174
501 G A -0.5043
502 S A -0.2188
503 T A 0.0614
504 C A 0.0000
505 Q A -0.9723
506 L A -0.3296
507 D A -2.5450
508 V A -1.9593
509 D A -2.8588
510 E A -2.7195
511 C A -1.6944
512 A A -0.9853
513 S A -0.7121
514 T A -1.0083
515 P A -1.0275
516 C A 0.0000
517 R A -3.0877
518 N A -2.5402
519 G A -2.1088
520 A A -2.7504
521 K A -2.8472
522 C A -2.2719
523 V A -1.9304
524 D A -3.2279
525 Q A -2.9327
526 P A -2.4904
527 D A -2.9332
528 G A -2.2128
529 Y A -2.1040
530 E A -2.3788
531 C A -2.5229
532 R A -3.0917
533 C A -2.9223
534 A A -1.8913
535 E A -1.8139
536 G A 0.0000
537 F A -2.3315
538 E A -3.1783
539 G A -1.9664
540 T A -1.4438
541 L A -1.7926
542 C A 0.0000
543 D A -3.5486
544 R A -3.7055
545 N A -2.2936
546 V A -1.6156
547 D A -2.1522
548 D A -1.2950
549 C A -1.5534
550 S A -1.6234
551 P A -1.6003
552 D A -2.6544
553 P A -1.9434
554 C A 0.0000
555 H A -2.5880
556 H A -2.0526
557 G A -1.8011
558 R A -2.1116
559 C A 0.0000
560 V A 0.5218
561 D A -0.4252
562 G A 0.5970
563 I A 1.2548
564 A A 0.0853
565 S A 0.3099
566 F A 0.2944
567 S A 0.0181
568 C A -0.9264
569 A A -0.3305
570 C A -1.0086
571 A A -0.8989
572 P A -0.7411
573 G A -1.1380
574 Y A -1.3020
575 T A -1.2202
576 G A -1.3132
577 T A -1.0195
578 R A -2.3564
579 C A 0.0000
580 E A -2.7027
581 S A -1.9496
582 Q A -1.7895
583 V A -1.9564
584 D A -2.9399
585 E A -2.7055
586 C A -2.5570
587 R A -3.1278
588 S A -2.0361
589 Q A -2.7689
590 P A -1.6012
591 C A 0.0000
592 R A -2.8269
593 H A -1.8420
594 G A -2.1167
595 G A -2.2506
596 K A -2.8056
597 C A -1.8353
598 L A -1.0355
599 D A -1.9989
600 L A -0.4793
601 V A -0.1879
602 D A -2.2681
603 K A -2.0129
604 Y A -0.5673
605 L A 0.4518
606 C A -0.9444
607 R A -2.0453
608 C A -1.3399
609 P A -1.3837
610 S A -0.6077
611 G A -0.7703
612 T A 0.0000
613 T A 0.1692
614 G A 0.4663
615 V A 1.4473
616 N A -0.4094
617 C A 0.0000
618 E A -0.4648
619 V A 0.5946
620 N A -0.7544
621 I A -0.1171
622 D A -2.2444
623 D A -2.7872
624 C A 0.0000
625 A A -1.0570
626 S A -1.2255
627 N A -1.4378
628 P A -0.3934
629 C A 0.2158
630 T A 0.5753
631 F A 1.4000
632 G A 0.9105
633 V A 1.4507
634 C A -0.4569
635 R A -2.4730
636 D A -2.5504
637 G A -2.2459
638 I A -1.2762
639 N A -2.3220
640 R A -3.1842
641 Y A -2.4316
642 D A -2.1062
643 C A 0.0000
644 V A 0.9567
645 C A 0.5226
646 Q A -0.6013
647 P A -1.2939
648 G A -1.8222
649 F A -0.5780
650 T A 0.2107
651 G A 0.3365
652 P A -0.0973
653 L A 0.7271
654 C A 0.0000
655 N A -0.2722
656 V A 0.5896
657 E A -1.5865
658 I A -1.2344
659 N A -2.2010
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1991 L A 0.0000
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1993 D A -1.5160
1994 H A -0.4600
1995 F A 0.3960
1996 A A 0.0000
1997 N A -1.3226
1998 R A -1.4066
1999 E A -2.1066
2000 I A -1.4860
2001 T A -1.7693
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2012 A A 0.0000
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2015 R A -3.1202
2016 L A -0.9671
2017 H A -2.1837
2018 Q A -2.4897
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2247 P A -0.3034
2248 S A -0.9191
2249 P A -1.4164
2250 E A -2.3790
2251 S A -1.8096
2252 P A -1.9428
2253 E A -2.4054
2254 H A -1.3351
2255 W A 0.2236
2256 A A 0.2421
2257 S A -0.0934
2258 P A -0.5130
2259 S A -0.6049
2260 P A -0.6039
2261 P A -0.2182
2262 S A 0.2621
2263 L A 0.8550
2264 S A -0.0799
2265 D A -1.0029
2266 W A -0.2483
2267 S A -0.8786
2268 E A -1.7945
2269 S A -1.2933
2270 T A -0.8025
2271 P A -0.4998
2272 S A -0.4802
2273 P A -0.4087
2274 A A -0.1393
2275 T A -0.0849
2276 A A -0.1078
2277 T A -0.2803
2278 G A -0.2334
2279 A A 0.4147
2280 M A 1.0001
2281 A A 0.5390
2282 T A 0.1173
2283 T A -0.2277
2284 T A -0.3533
2285 G A -0.1430
2286 A A 0.5640
2287 L A 1.3524
2288 P A 0.3362
2289 A A -0.5032
2290 Q A -1.0219
2291 P A -0.1080
2292 L A 1.3583
2293 P A 1.2401
2294 L A 1.9909
2295 S A 1.3596
2296 V A 1.8124
2297 P A 0.4139
2298 S A 0.2547
2299 S A 0.4981
2300 L A 1.1502
2301 A A 0.1185
2302 Q A -1.0627
2303 A A -1.1890
2304 Q A -1.7269
2305 T A -0.9640
2306 Q A -0.8500
2307 L A 0.6276
2308 G A -0.2597
2309 P A -0.8163
2310 Q A -1.7698
2311 P A -1.3801
2312 E A -1.3506
2313 V A 0.4037
2314 T A -0.4075
2315 P A -1.5537
2316 K A -2.6930
2317 R A -2.9119
2318 Q A -1.3196
2319 V A 1.3080
2320 L A 2.1759
2321 A A 1.2076
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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 -0.0613 6.6193 View CSV PDB
4.5 -0.1456 6.5517 View CSV PDB
5.0 -0.2482 6.4499 View CSV PDB
5.5 -0.3549 6.3305 View CSV PDB
6.0 -0.453 6.3232 View CSV PDB
6.5 -0.5345 6.3232 View CSV PDB
7.0 -0.5987 6.3232 View CSV PDB
7.5 -0.6503 6.3232 View CSV PDB
8.0 -0.6931 6.3232 View CSV PDB
8.5 -0.7257 6.3232 View CSV PDB
9.0 -0.7451 6.3232 View CSV PDB