Project name: R1220G_5

Status: done

Started: 2026-05-22 01:17:28
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLVSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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                                          (00:00:19)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:17:37)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/1de97a8e06bce38/tmp/folded.pdb                (00:17:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:34:02)
Show buried residues

Minimal score value
-2.6013
Maximal score value
2.2581
Average score
-0.2803
Total score value
-650.6524

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 0.9645
2 G A -0.3142
3 P A -0.4316
4 G A -0.4994
5 A A -0.4059
6 R A -1.9206
7 G A -1.1575
8 R A -2.2701
9 R A -2.5908
10 R A -2.6013
11 R A -2.5395
12 R A -2.5237
13 R A -2.2236
14 P A -0.3920
15 M A 0.9666
16 S A -0.0643
17 P A -0.3397
18 P A -0.3473
19 P A -0.3474
20 P A -0.3477
21 P A -0.3477
22 P A -0.3478
23 P A 0.0271
24 V A 1.3856
25 R A -1.5064
26 A A 0.0006
27 L A 1.5124
28 P A 0.3055
29 L A 1.7841
30 L A 2.1118
31 L A 2.1117
32 L A 2.1135
33 L A 1.8417
34 A A 0.2581
35 G A -0.5018
36 P A -0.4254
37 G A -0.5024
38 A A -0.0169
39 A A 0.0775
40 A A 0.0434
41 P A -0.0636
42 P A -0.0398
43 C A 0.3510
44 L A 1.3482
45 D A -0.9749
46 G A -0.6881
47 S A -0.1888
48 P A -0.2502
49 C A -0.0305
50 A A -0.1206
51 N A -0.9425
52 G A -0.6340
53 G A -0.4417
54 R A -1.7167
55 C A 0.3799
56 T A -0.1087
57 Q A -1.0936
58 L A 0.3127
59 P A -0.1854
60 S A -0.5695
61 R A -2.2157
62 E A -2.1612
63 A A 0.0000
64 A A 0.0129
65 C A 0.0000
66 L A 1.3185
67 C A 0.4439
68 P A -0.0726
69 P A -0.2776
70 G A -0.0764
71 W A 0.0799
72 V A 0.2821
73 G A -0.3692
74 E A -1.9342
75 R A -0.8731
76 C A 0.0000
77 Q A -0.4419
78 L A -0.1783
79 E A -1.7837
80 D A -0.5842
81 P A -0.0723
82 C A -0.0766
83 H A -1.0087
84 S A -0.4775
85 G A -0.5155
86 P A -0.1310
87 C A -0.0107
88 A A 0.0096
89 G A -0.4915
90 R A -1.8851
91 G A -0.0432
92 V A 1.7895
93 C A 0.3003
94 Q A -1.0147
95 S A -0.1631
96 S A -0.0274
97 V A 0.9884
98 V A 1.7095
99 A A 0.2604
100 G A -0.4684
101 T A -0.1532
102 A A -0.2490
103 R A -1.7238
104 F A 0.2471
105 S A -0.0780
106 C A -0.2773
107 R A -1.7835
108 C A -0.1245
109 P A -0.3377
110 R A -1.8610
111 G A -0.2521
112 F A 0.7853
113 R A -0.2410
114 G A -0.2658
115 P A -0.4059
116 D A -0.7266
117 C A 0.0000
118 S A -0.0295
119 L A 0.7203
120 P A -0.0358
121 D A -0.3106
122 P A -0.0761
123 C A 0.2639
124 L A 1.0832
125 S A -0.0490
126 S A -0.2595
127 P A -0.0727
128 C A 0.0690
129 A A -0.1202
130 H A -0.8741
131 G A -0.6082
132 A A -0.3915
133 R A -1.8430
134 C A 0.0000
135 S A -0.0132
136 V A 0.5932
137 G A 0.0037
138 P A -0.5903
139 D A -1.8469
140 G A -0.7185
141 R A -1.7872
142 F A 0.2943
143 L A 1.1456
144 C A 0.2346
145 S A -0.1523
146 C A 0.1990
147 P A -0.0686
148 P A -0.2795
149 G A -0.0976
150 Y A -0.1382
151 Q A -1.2554
152 G A -1.0247
153 R A -1.9382
154 S A -0.3732
155 C A 0.0000
156 R A -1.8834
157 S A -0.6462
158 D A -0.4617
159 V A 0.1088
160 D A -0.6656
161 E A -0.9158
162 C A -0.3404
163 R A -1.4952
164 V A 1.3917
165 G A -0.2496
166 E A -1.8741
167 P A -0.3841
168 C A 0.0000
169 R A -1.9346
170 H A -1.3134
171 G A -0.6396
172 G A -0.1320
173 T A -0.0538
174 C A 0.2811
175 L A 0.7548
176 N A -0.3982
177 T A -0.1191
178 P A -0.2693
179 G A -0.1561
180 S A -0.0879
181 F A -0.0438
182 R A -1.7502
183 C A -0.4619
184 Q A -1.1488
185 C A -0.0750
186 P A -0.0638
187 A A 0.0136
188 G A -0.0533
189 Y A 0.3401
190 T A 0.0250
191 G A -0.2391
192 P A -0.2181
193 L A 0.3539
194 C A 0.0000
195 E A -0.9839
196 N A -1.2898
197 P A -0.3941
198 A A 0.2272
199 V A 1.2098
200 P A 0.2236
201 C A 0.1420
202 A A -0.0099
203 P A -0.2681
204 S A -0.1740
205 P A -0.0687
206 C A 0.0000
207 R A -1.9932
208 N A -1.2323
209 G A -0.6198
210 G A -0.1150
211 T A -0.0602
212 C A -0.2453
213 R A -2.0505
214 Q A -1.5138
215 S A -0.4050
216 G A -0.5394
217 D A -1.5420
218 L A 1.2151
219 T A 0.2939
220 Y A -0.0598
221 D A -1.6990
222 C A 0.0000
223 A A 0.0750
224 C A 0.4072
225 L A 0.9547
226 P A -0.0903
227 G A -0.2786
228 F A -0.1679
229 E A -1.8399
230 G A -0.8919
231 Q A -1.2937
232 N A -0.4012
233 C A 0.0000
234 E A -0.6269
235 V A 0.9411
236 N A -0.0199
237 V A 0.2548
238 D A -1.7550
239 D A -0.7943
240 C A -0.0435
241 P A -0.3247
242 G A -0.6001
243 H A -0.8985
244 R A -1.9311
245 C A 0.0000
246 L A 1.2573
247 N A -0.6209
248 G A -0.6181
249 G A -0.1159
250 T A -0.0617
251 C A 0.2529
252 V A 0.7766
253 D A -0.5161
254 G A 0.0817
255 V A 1.5157
256 N A -0.9738
257 T A -0.2637
258 Y A -0.1334
259 N A -1.2184
260 C A -0.3694
261 Q A -1.1466
262 C A -0.0398
263 P A -0.0651
264 P A -0.3767
265 E A -0.6358
266 W A -0.0011
267 T A -0.2565
268 G A -0.5632
269 Q A -1.2101
270 F A 0.0624
271 C A 0.0000
272 T A -0.4051
273 E A -1.8855
274 D A -0.5482
275 V A 0.0576
276 D A -0.5166
277 E A -0.2117
278 C A -0.1593
279 Q A -0.8963
280 L A 1.0805
281 Q A -0.9618
282 P A -0.7024
283 N A -1.3180
284 A A -0.2225
285 C A 0.0000
286 H A -0.8920
287 N A -0.9931
288 G A -0.6164
289 G A -0.1200
290 T A -0.0038
291 C A 0.4015
292 F A 1.3625
293 N A -0.4060
294 T A 0.0877
295 L A 1.5076
296 G A 0.1006
297 G A -0.1586
298 H A -0.4699
299 S A -0.2498
300 C A 0.3197
301 V A 1.4044
302 C A 0.4735
303 V A 0.0253
304 N A -1.2315
305 G A 0.0000
306 W A 0.1223
307 T A -0.0320
308 G A -0.5258
309 E A -1.8624
310 S A -0.3742
311 C A 0.0000
312 S A -0.4087
313 Q A -1.2984
314 N A -0.3627
315 I A 0.7015
316 D A -1.3552
317 D A -0.7310
318 C A 0.0357
319 A A 0.0661
320 T A -0.0587
321 A A 0.3365
322 V A 1.7946
323 C A 0.6464
324 F A 0.7788
325 H A -0.9025
326 G A -0.6456
327 A A -0.0599
328 T A -0.0416
329 C A 0.0649
330 H A -0.5340
331 D A -1.2960
332 R A -1.7804
333 V A 0.9857
334 A A 0.2361
335 S A -0.1855
336 F A 0.5719
337 Y A 1.4013
338 C A 0.0000
339 A A 0.0657
340 C A 0.2689
341 P A 0.1518
342 M A 1.0237
343 G A 0.0186
344 K A -0.6564
345 T A -0.0938
346 G A 0.1772
347 L A 1.5896
348 L A 0.5998
349 C A 0.0000
350 H A -0.4842
351 L A -0.2689
352 D A -1.8807
353 D A -0.7823
354 A A -0.0464
355 C A 0.3434
356 V A 1.3583
357 S A -0.1882
358 N A -1.3317
359 P A -0.3434
360 C A 0.0000
361 H A -0.4866
362 E A -2.1739
363 D A -2.1192
364 A A 0.0768
365 I A 2.0456
366 C A 0.2262
367 D A -1.7579
368 T A 0.0000
369 N A -0.2901
370 P A 0.0127
371 V A 1.4947
372 N A -0.9654
373 G A -0.6516
374 R A -1.8586
375 A A -0.1879
376 I A 0.8516
377 C A 0.2492
378 T A -0.0172
379 C A 0.1883
380 P A 0.0000
381 P A -0.2639
382 G A -0.0315
383 F A 0.1747
384 T A -0.1883
385 G A -0.4873
386 G A -0.5349
387 A A -0.0614
388 C A 0.0000
389 D A -2.0091
390 Q A -1.5866
391 D A -0.4396
392 V A 0.0574
393 D A -1.0391
394 E A -0.3865
395 C A 0.0934
396 S A 0.1804
397 I A 1.8881
398 G A -0.0836
399 A A -0.2240
400 N A -1.0446
401 P A -0.2199
402 C A 0.0000
403 E A -1.6853
404 H A -0.3590
405 L A 1.4863
406 G A 0.0000
407 R A -1.9672
408 C A 0.0000
409 V A 0.4708
410 N A -0.2626
411 T A -0.2856
412 Q A -1.2166
413 G A -0.3094
414 S A -0.0476
415 F A 0.6973
416 L A 1.5637
417 C A 0.1200
418 Q A -1.3314
419 C A -0.0494
420 G A -0.5841
421 R A -1.8969
422 G A 0.0000
423 Y A -0.0407
424 T A -0.0379
425 G A -0.2063
426 P A -0.5555
427 R A -1.5742
428 C A 0.0000
429 E A -1.2919
430 T A -0.5706
431 D A -1.4038
432 V A 0.3089
433 N A -0.5475
434 E A -0.4036
435 C A 0.3200
436 L A 1.5264
437 S A -0.0148
438 G A -0.5110
439 P A -0.1019
440 C A -0.1693
441 R A -1.9531
442 N A -1.2337
443 Q A -1.3194
444 A A -0.2020
445 T A -0.0421
446 C A 0.2347
447 L A 0.3793
448 D A -1.2935
449 R A -1.6866
450 I A 1.5884
451 G A 0.0000
452 Q A -1.1444
453 F A -0.0770
454 T A 0.0223
455 C A 0.4453
456 I A 2.0305
457 C A 0.6673
458 M A 0.5871
459 A A 0.1477
460 G A -0.2451
461 F A -0.0375
462 T A -0.0475
463 G A -0.2749
464 T A 0.0137
465 Y A 0.7165
466 C A 0.0000
467 E A -0.5660
468 V A 0.7080
469 D A -1.4033
470 I A 0.0915
471 D A -1.8007
472 E A -1.2276
473 C A -0.2841
474 Q A -1.2190
475 S A -0.4685
476 S A -0.2589
477 P A -0.0674
478 C A 0.2599
479 V A 0.9149
480 N A -0.8222
481 G A -0.6454
482 G A 0.2013
483 V A 1.7872
484 C A 0.2102
485 K A -1.7615
486 D A -2.3189
487 R A -1.7850
488 V A 1.2038
489 N A -0.9777
490 G A -0.2344
491 F A 0.1374
492 S A 0.0862
493 C A 0.0976
494 T A -0.0003
495 C A 0.1401
496 P A -0.1177
497 S A -0.2428
498 G A -0.3562
499 F A 0.0353
500 S A 0.0395
501 G A -0.3896
502 S A -0.2762
503 T A -0.0416
504 C A 0.0000
505 Q A -0.9613
506 L A 0.7251
507 D A -1.4085
508 V A -0.0972
509 D A -1.7761
510 E A -1.2293
511 C A -0.0641
512 A A 0.0366
513 S A -0.2149
514 T A -0.1162
515 P A -0.0519
516 C A 0.0000
517 R A -1.9027
518 N A -0.7412
519 G A -0.5217
520 A A -0.3589
521 K A -1.6839
522 C A -0.1293
523 V A 0.1006
524 D A -1.5309
525 Q A -1.1911
526 P A -0.7439
527 D A -1.8636
528 G A -0.4324
529 Y A -0.0989
530 E A -1.3892
531 C A -0.5391
532 R A -1.7833
533 C A -0.0937
534 A A -0.2581
535 E A -1.8153
536 G A 0.0000
537 F A -0.1311
538 E A -1.6344
539 G A -0.5681
540 T A -0.0023
541 L A 0.6289
542 C A 0.0000
543 D A -2.1244
544 R A -2.2742
545 N A -0.7232
546 V A 0.3998
547 D A -1.7434
548 D A -1.0010
549 C A -0.2813
550 S A -0.2682
551 P A -0.6345
552 D A -1.8310
553 P A -0.3513
554 C A 0.0000
555 H A -1.0754
556 H A -0.6692
557 G A -0.4954
558 R A -1.8611
559 C A 0.0000
560 V A 1.6203
561 D A -0.4247
562 G A 0.0574
563 I A 1.9935
564 A A 0.3722
565 S A -0.0358
566 F A 0.5662
567 S A -0.0587
568 C A 0.0597
569 A A -0.0735
570 C A 0.2573
571 A A 0.0103
572 P A -0.2610
573 G A -0.3446
574 Y A 0.0526
575 T A -0.0351
576 G A -0.2697
577 T A -0.3020
578 R A -1.0416
579 C A 0.0000
580 E A -1.6371
581 S A -0.6401
582 Q A -1.1317
583 V A -0.1441
584 D A -1.3402
585 E A -0.8167
586 C A -0.4659
587 R A -1.8666
588 S A -0.7697
589 Q A -1.2338
590 P A -0.2522
591 C A 0.0000
592 R A -1.9247
593 H A -0.8588
594 G A -0.5535
595 G A -0.4202
596 K A -1.6971
597 C A -0.1579
598 L A 0.1996
599 D A -1.5674
600 L A 0.4466
601 V A 1.5586
602 D A -1.7888
603 K A -1.9111
604 Y A -0.0229
605 L A 1.2956
606 C A -0.0217
607 R A -1.7834
608 C A -0.1309
609 P A -0.0941
610 S A -0.2493
611 G A -0.2685
612 T A 0.0000
613 T A -0.0842
614 G A 0.0737
615 V A 1.6904
616 N A 0.1084
617 C A 0.0000
618 E A -0.3502
619 V A 0.8897
620 N A -0.0005
621 I A 1.1892
622 D A -1.6533
623 D A -1.2386
624 C A 0.0000
625 A A 0.0199
626 S A -0.4272
627 N A -1.3188
628 P A -0.2648
629 C A 0.1482
630 T A 0.1835
631 F A 1.3299
632 G A 0.4591
633 V A 1.7826
634 C A 0.1169
635 R A -1.9045
636 D A -0.7069
637 G A -0.2598
638 I A 0.0559
639 N A -1.5608
640 R A -1.9630
641 Y A -0.0625
642 D A -1.6665
643 C A 0.0000
644 V A 1.0518
645 C A 0.1806
646 Q A -0.9226
647 P A -0.4336
648 G A -0.1183
649 F A -0.0665
650 T A 0.1414
651 G A -0.2012
652 P A -0.1389
653 L A 0.7531
654 C A 0.0000
655 N A -0.9784
656 V A 1.0754
657 E A -1.2880
658 I A 0.5394
659 N A -1.2321
660 E A -1.1454
661 C A -0.0423
662 A A 0.0415
663 S A -0.2409
664 S A -0.2609
665 P A -0.0762
666 C A 0.0452
667 G A -0.4463
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1950 N A -0.3164
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1955 T A 0.0000
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1967 M A -0.0605
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1969 D A 0.0000
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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
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1980 A A 0.0000
1981 R A -0.8344
1982 E A -1.9324
1983 G A -0.4923
1984 S A 0.0000
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1986 E A -1.6184
1987 A A 0.0000
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1989 K A -1.1998
1990 L A -0.2017
1991 L A 0.0000
1992 L A 0.0471
1993 D A -1.7754
1994 H A -0.1646
1995 F A 1.9245
1996 A A 0.0000
1997 N A -0.7891
1998 R A -0.7268
1999 E A -1.7803
2000 I A 0.0016
2001 T A -0.1569
2002 D A 0.0000
2003 H A -0.7341
2004 L A 0.3784
2005 D A -1.7277
2006 R A -0.7570
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2008 P A 0.0000
2009 R A -1.0457
2010 D A -0.9703
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.3025
2015 R A -1.8941
2016 L A 1.0971
2017 H A -0.1180
2018 Q A -1.3806
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2021 V A 0.0000
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2266 W A 0.8016
2267 S A -0.2690
2268 E A -1.9041
2269 S A -0.6046
2270 T A -0.1653
2271 P A -0.3121
2272 S A -0.3195
2273 P A -0.2900
2274 A A -0.0061
2275 T A -0.0462
2276 A A 0.0279
2277 T A -0.1511
2278 G A -0.4695
2279 A A 0.2245
2280 M A 1.0786
2281 A A 0.2424
2282 T A -0.0754
2283 T A -0.1009
2284 T A -0.1844
2285 G A -0.4693
2286 A A 0.2970
2287 L A 1.5057
2288 P A 0.0879
2289 A A -0.2979
2290 Q A -1.2331
2291 P A -0.1778
2292 L A 1.4491
2293 P A 0.3824
2294 L A 1.4495
2295 S A 0.4464
2296 V A 1.6808
2297 P A 0.0305
2298 S A -0.3116
2299 S A 0.1152
2300 L A 1.5081
2301 A A 0.0604
2302 Q A -1.1735
2303 A A -0.4435
2304 Q A -1.1977
2305 T A -0.5798
2306 Q A -0.9317
2307 L A 1.2132
2308 G A -0.1385
2309 P A -0.6000
2310 Q A -1.3034
2311 P A -0.8431
2312 E A -1.5186
2313 V A 1.4006
2314 T A 0.2253
2315 P A -0.5838
2316 K A -2.0995
2317 R A -2.3942
2318 Q A -1.1986
2319 V A 1.8301
2320 L A 1.8956
2321 A A 0.4264
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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 -0.002 4.663 View CSV PDB
4.5 -0.0344 4.663 View CSV PDB
5.0 -0.0739 4.663 View CSV PDB
5.5 -0.1149 4.663 View CSV PDB
6.0 -0.1522 4.663 View CSV PDB
6.5 -0.1825 4.663 View CSV PDB
7.0 -0.2056 4.663 View CSV PDB
7.5 -0.2235 4.663 View CSV PDB
8.0 -0.238 4.663 View CSV PDB
8.5 -0.2488 4.663 View CSV PDB
9.0 -0.2547 4.663 View CSV PDB