Project name: R1220Q_10

Status: done

Started: 2026-06-12 13:59:21
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTQDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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.  (00:00:32)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:32)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:45:57)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/967e332b5735149/tmp/folded.pdb                (00:45:57)
[INFO]       Main:     Simulation completed successfully.                                          (01:22:19)
Show buried residues

Minimal score value
-4.8224
Maximal score value
5.8272
Average score
-0.7753
Total score value
-1799.5508

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 0.7669
2 G A -0.1632
3 P A -0.5189
4 G A -1.1428
5 A A -1.4828
6 R A -2.8242
7 G A -2.8698
8 R A -3.9109
9 R A -4.5299
10 R A -4.8224
11 R A -4.5824
12 R A -3.9849
13 R A -3.3601
14 P A -1.4159
15 M A 0.1159
16 S A -0.2018
17 P A -0.3303
18 P A -0.5054
19 P A -0.6888
20 P A -0.6947
21 P A -0.4144
22 P A -0.4321
23 P A -0.1391
24 V A 0.8880
25 R A -0.6787
26 A A 0.5086
27 L A 1.8754
28 P A 1.7330
29 L A 3.2738
30 L A 3.9196
31 L A 3.9699
32 L A 3.6665
33 L A 2.8734
34 A A 1.1166
35 G A 0.0261
36 P A -0.4581
37 G A -0.6462
38 A A -0.2750
39 A A -0.2567
40 A A -0.3853
41 P A -1.0549
42 P A -0.8858
43 C A 0.0000
44 L A 0.4009
45 D A -0.9661
46 G A -0.7343
47 S A -0.5597
48 P A -0.7621
49 C A -1.0728
50 A A -1.0933
51 N A -1.5202
52 G A -1.4499
53 G A -1.8068
54 R A -2.4578
55 C A -0.8934
56 T A 0.0000
57 Q A -2.5483
58 L A -3.3178
59 P A -3.2749
60 S A -3.7801
61 R A -4.1630
62 E A -3.1635
63 A A 0.0000
64 A A -1.5479
65 C A 0.0000
66 L A -1.4109
67 C A -1.2378
68 P A 0.0000
69 P A -0.9270
70 G A 0.0000
71 W A -1.1789
72 V A -0.9866
73 G A -1.0396
74 E A -2.0281
75 R A -1.7308
76 C A 0.0000
77 Q A -1.6032
78 L A -1.4793
79 E A -2.3015
80 D A -1.6388
81 P A -1.3549
82 C A -0.9613
83 H A -1.6293
84 S A -1.1379
85 G A -0.8244
86 P A -0.3780
87 C A -0.8121
88 A A -0.5897
89 G A -1.0612
90 R A -1.8677
91 G A -1.1064
92 V A 0.3275
93 C A -0.3571
94 Q A -1.0459
95 S A -0.6051
96 S A -0.1439
97 V A 0.6406
98 V A 1.5650
99 A A 0.6178
100 G A -0.2220
101 T A -0.2382
102 A A 0.0000
103 R A -1.3991
104 F A -0.7539
105 S A -0.8724
106 C A -0.9633
107 R A -1.7424
108 C A -1.1068
109 P A -1.2340
110 R A -1.8205
111 G A 0.0000
112 F A -0.1196
113 R A -0.5899
114 G A -0.5689
115 P A -0.7615
116 D A -0.8120
117 C A 0.0000
118 S A -0.3066
119 L A 0.4543
120 P A 0.1933
121 D A -0.0407
122 P A 0.1136
123 C A 0.0000
124 L A 0.9114
125 S A 0.3433
126 S A -0.0964
127 P A -0.3781
128 C A -1.1975
129 A A -1.6553
130 H A -1.7335
131 G A -1.3005
132 A A -1.5909
133 R A -1.8944
134 C A -0.3519
135 S A -0.2434
136 V A -0.1814
137 G A -0.7773
138 P A -1.2794
139 D A -2.3225
140 G A -1.5885
141 R A -2.0465
142 F A -0.6340
143 L A -0.1437
144 C A -0.6724
145 S A -0.9822
146 C A -1.3486
147 P A -0.8405
148 P A -0.6367
149 G A -1.0265
150 Y A -1.9051
151 Q A -2.4589
152 G A -2.4758
153 R A -2.3820
154 S A -1.9331
155 C A 0.0000
156 R A -2.9635
157 S A -2.3401
158 D A -2.0713
159 V A -1.3305
160 D A -1.2813
161 E A -1.6697
162 C A -1.4897
163 R A -1.7543
164 V A 0.0236
165 G A -1.1243
166 E A -2.4041
167 P A -1.7156
168 C A 0.0000
169 R A -3.0214
170 H A -2.3106
171 G A -1.7127
172 G A -1.7948
173 T A -1.1940
174 C A -1.3359
175 L A -0.4529
176 N A -1.1409
177 T A -0.8058
178 P A -1.0387
179 G A -1.1985
180 S A -0.9118
181 F A -0.9741
182 R A -1.8158
183 C A -1.5454
184 Q A -1.3201
185 C A -1.4083
186 P A -0.6819
187 A A 0.0971
188 G A 0.0671
189 Y A -0.6189
190 T A -0.9019
191 G A -1.1556
192 P A -1.2315
193 L A -1.6100
194 C A 0.0000
195 E A -2.5690
196 N A -2.0104
197 P A -0.7349
198 A A 0.2520
199 V A 1.1237
200 P A -0.0780
201 C A -0.2471
202 A A 0.2935
203 P A 0.0256
204 S A -0.7053
205 P A -1.0785
206 C A -2.1587
207 R A -2.9181
208 N A -1.9501
209 G A -1.3500
210 G A -1.5688
211 T A -1.2074
212 C A -1.8449
213 R A -2.9266
214 Q A -2.4353
215 S A -1.8182
216 G A -1.4928
217 D A -1.2751
218 L A 0.4375
219 T A -0.6436
220 Y A -1.6274
221 D A -2.8100
222 C A 0.0000
223 A A -0.9322
224 C A -0.8649
225 L A 0.0924
226 P A -0.0328
227 G A -0.4476
228 F A -1.0490
229 E A -2.0662
230 G A -1.8593
231 Q A -2.3855
232 N A -2.3956
233 C A 0.0000
234 E A -2.2627
235 V A -0.8444
236 N A -0.7091
237 V A -0.8413
238 D A -1.7828
239 D A -2.0024
240 C A -1.6146
241 P A -1.4217
242 G A -1.3755
243 H A -1.6839
244 R A -2.0988
245 C A 0.0000
246 L A 0.0987
247 N A -0.7986
248 G A -0.5913
249 G A -0.8140
250 T A -0.6886
251 C A -0.9181
252 V A -0.5288
253 D A -1.1503
254 G A -0.4003
255 V A 0.6143
256 N A -0.8637
257 T A -0.8443
258 Y A -1.4801
259 N A -1.9281
260 C A -1.3606
261 Q A -1.4117
262 C A -1.0791
263 P A -0.6438
264 P A -0.7343
265 E A -1.1001
266 W A -0.9917
267 T A -1.2913
268 G A -1.5886
269 Q A -1.8949
270 F A -1.3421
271 C A 0.0000
272 T A -1.1036
273 E A -1.9216
274 D A -1.1442
275 V A 0.0000
276 D A -0.9608
277 E A -0.8577
278 C A 0.0000
279 Q A -0.7943
280 L A -0.6299
281 Q A -1.5427
282 P A -1.6067
283 N A -2.1830
284 A A -1.5525
285 C A 0.0000
286 H A -1.9729
287 N A -1.5144
288 G A -1.2814
289 G A -0.7917
290 T A -0.3737
291 C A -0.1288
292 F A 0.6305
293 N A -0.1989
294 T A 0.2503
295 L A 0.7931
296 G A -0.3284
297 G A -0.2805
298 H A -0.6336
299 S A -0.3206
300 C A 0.0769
301 V A 0.8232
302 C A -0.2388
303 V A -0.3266
304 N A -0.2334
305 G A 0.0000
306 W A -0.3793
307 T A -0.9338
308 G A -1.3711
309 E A -2.1368
310 S A -1.6354
311 C A 0.0000
312 S A -1.5765
313 Q A -1.9265
314 N A -1.1142
315 I A -0.5770
316 D A -1.9426
317 D A -1.0211
318 C A -0.5714
319 A A -0.2695
320 T A 0.0269
321 A A 0.7421
322 V A 1.9134
323 C A 1.3828
324 F A 0.8505
325 H A -0.8366
326 G A -0.4922
327 A A 0.1810
328 T A 0.1341
329 C A 0.0634
330 H A -1.0854
331 D A -1.5780
332 R A -1.2765
333 V A 0.1386
334 A A -0.4038
335 S A -0.6760
336 F A -0.5297
337 Y A 0.2672
338 C A 0.0000
339 A A 0.3870
340 C A 0.3801
341 P A 0.1794
342 M A 0.8762
343 G A -0.0692
344 K A -0.8846
345 T A -0.8517
346 G A 0.0261
347 L A 0.3544
348 L A 0.8332
349 C A 0.0000
350 H A -0.5221
351 L A -1.2260
352 D A -2.3659
353 D A -1.4047
354 A A -1.2533
355 C A -0.4062
356 V A 0.8145
357 S A -0.0309
358 N A -0.9344
359 P A -1.0744
360 C A -1.3381
361 H A -2.1383
362 E A -2.8323
363 D A -2.1744
364 A A -0.9092
365 I A 0.9089
366 C A -0.2951
367 D A -1.4625
368 T A 0.0000
369 N A 0.0000
370 P A -0.7752
371 V A 0.5400
372 N A -1.2798
373 G A -1.7806
374 R A -2.4453
375 A A -1.3064
376 I A -0.5907
377 C A 0.0000
378 T A 0.1639
379 C A -0.4148
380 P A -0.3501
381 P A -0.4486
382 G A -0.7689
383 F A -1.4432
384 T A -1.2712
385 G A -1.4868
386 G A -1.2494
387 A A -1.1134
388 C A 0.0000
389 D A -2.8683
390 Q A -2.5282
391 D A -1.9754
392 V A -1.0485
393 D A -1.2948
394 E A -0.5435
395 C A -0.3759
396 S A -0.3107
397 I A 0.3351
398 G A -0.1381
399 A A -0.3212
400 N A -1.6753
401 P A -1.1626
402 C A 0.0000
403 E A -2.5479
404 H A -1.4657
405 L A -0.0278
406 G A 0.0000
407 R A -2.1441
408 C A 0.0000
409 V A 0.1213
410 N A -0.4123
411 T A -0.4221
412 Q A -1.6917
413 G A -1.2896
414 S A -0.4536
415 F A 0.4621
416 L A 0.8046
417 C A -0.8332
418 Q A -1.5123
419 C A -1.6487
420 G A -1.2607
421 R A -1.9568
422 G A -1.4068
423 Y A -1.3957
424 T A -1.6533
425 G A -1.7154
426 P A -1.1993
427 R A -2.5860
428 C A 0.0000
429 E A -2.7617
430 T A -1.9826
431 D A -2.3078
432 V A -1.1927
433 N A -1.1068
434 E A -1.2011
435 C A -0.4017
436 L A 0.6547
437 S A 0.0806
438 G A -0.5075
439 P A -0.4071
440 C A -0.7477
441 R A -2.1641
442 N A -1.9175
443 Q A -1.7026
444 A A -0.3579
445 T A 0.2525
446 C A 0.2011
447 L A -0.1112
448 D A -1.9518
449 R A -1.9815
450 I A -0.3938
451 G A 0.0000
452 Q A -1.5919
453 F A -0.7659
454 T A 0.1013
455 C A 0.9470
456 I A 2.1180
457 C A 0.9333
458 M A 0.2688
459 A A 0.3028
460 G A -0.7379
461 F A -0.2616
462 T A 0.1664
463 G A 0.0242
464 T A 0.2883
465 Y A 0.2644
466 C A 0.0000
467 E A -0.9786
468 V A -0.2915
469 D A -1.8792
470 I A -1.5528
471 D A -3.4056
472 E A -3.2153
473 C A -2.3629
474 Q A -2.2861
475 S A -1.3739
476 S A -0.6815
477 P A -0.0540
478 C A 0.2938
479 V A 0.6268
480 N A -0.7061
481 G A -0.2576
482 G A 0.3516
483 V A 1.1756
484 C A -0.5197
485 K A -2.6030
486 D A -3.8389
487 R A -3.0275
488 V A -0.6996
489 N A -1.5584
490 G A -1.5959
491 F A -1.8208
492 S A -1.0664
493 C A 0.0798
494 T A 0.3074
495 C A 0.3724
496 P A -0.2896
497 S A -0.8881
498 G A -1.6849
499 F A -0.8953
500 S A -0.5642
501 G A -0.4908
502 S A -0.2350
503 T A 0.0703
504 C A 0.0000
505 Q A -0.9357
506 L A -0.2620
507 D A -2.3581
508 V A -1.8338
509 D A -2.9265
510 E A -2.8102
511 C A -1.7976
512 A A -1.0018
513 S A -0.6992
514 T A -1.0001
515 P A -0.9184
516 C A 0.0000
517 R A -3.2575
518 N A -3.0496
519 G A -2.3467
520 A A -2.9019
521 K A -3.0466
522 C A -2.2628
523 V A -2.1964
524 D A -3.4468
525 Q A -2.8464
526 P A -2.3629
527 D A -2.8840
528 G A -2.2527
529 Y A -2.2704
530 E A -2.7014
531 C A -2.5436
532 R A -3.1547
533 C A -2.8126
534 A A -2.1340
535 E A -1.8418
536 G A 0.0000
537 F A -2.1482
538 E A -2.6977
539 G A -1.8896
540 T A -1.4251
541 L A -1.8353
542 C A 0.0000
543 D A -2.8873
544 R A -3.0953
545 N A -2.0975
546 V A -1.3603
547 D A -2.1639
548 D A -1.6581
549 C A -1.8290
550 S A -1.7119
551 P A -1.5925
552 D A -2.7201
553 P A -1.7538
554 C A -2.0513
555 H A -2.5503
556 H A -2.0808
557 G A -1.8300
558 R A -2.2012
559 C A 0.0000
560 V A 0.0114
561 D A -1.2222
562 G A 0.1730
563 I A 0.9362
564 A A 0.0049
565 S A 0.2191
566 F A -0.2166
567 S A -0.2893
568 C A -0.9185
569 A A -0.3941
570 C A -1.0344
571 A A -0.8871
572 P A -0.7191
573 G A -0.9727
574 Y A -1.1796
575 T A -1.1026
576 G A -1.3414
577 T A -1.0453
578 R A -2.3677
579 C A 0.0000
580 E A -2.8278
581 S A -1.9070
582 Q A -1.5936
583 V A -1.4987
584 D A -2.2302
585 E A -2.2310
586 C A -2.2610
587 R A -2.8857
588 S A -1.8858
589 Q A -2.4605
590 P A -1.4751
591 C A -1.8288
592 R A -2.8679
593 H A -2.0166
594 G A -2.2413
595 G A -2.3150
596 K A -2.6297
597 C A 0.0000
598 L A -0.8125
599 D A -1.6626
600 L A -0.4593
601 V A -0.0772
602 D A -2.1037
603 K A -1.9297
604 Y A -0.4624
605 L A 0.4089
606 C A -0.8905
607 R A -2.0569
608 C A -1.3020
609 P A -1.2193
610 S A -0.4215
611 G A -0.6376
612 T A 0.0000
613 T A 0.0479
614 G A 0.4266
615 V A 1.4332
616 N A -0.4998
617 C A 0.0000
618 E A -0.6256
619 V A 0.5434
620 N A -0.4626
621 I A -0.2134
622 D A -2.1992
623 D A -2.8263
624 C A -2.0185
625 A A -1.1092
626 S A -1.2172
627 N A -1.2432
628 P A -0.4214
629 C A -0.0043
630 T A 0.4247
631 F A 0.9877
632 G A 0.5481
633 V A 1.1635
634 C A -0.6494
635 R A -2.6917
636 D A -2.5813
637 G A -1.7996
638 I A -0.3318
639 N A -1.9093
640 R A -2.8111
641 Y A -2.6542
642 D A -2.2638
643 C A -0.3695
644 V A 0.4897
645 C A 0.3894
646 Q A -0.8461
647 P A -1.2784
648 G A 0.0000
649 F A -0.6830
650 T A 0.2080
651 G A 0.2635
652 P A -0.1559
653 L A 0.6767
654 C A 0.0000
655 N A -0.3735
656 V A 0.5816
657 E A -1.6699
658 I A -1.0866
659 N A -2.0532
660 E A -2.1675
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1994 H A -1.0757
1995 F A -0.5949
1996 A A 0.0000
1997 N A -1.0169
1998 R A -1.4002
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2000 I A -1.3839
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2010 D A -2.6665
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2014 E A -3.1291
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2016 L A -0.8110
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2247 P A -0.3002
2248 S A -0.8223
2249 P A -1.4025
2250 E A -2.3823
2251 S A -1.7393
2252 P A -1.9736
2253 E A -2.4427
2254 H A -1.4845
2255 W A 0.1872
2256 A A -0.0114
2257 S A -0.1765
2258 P A -0.4072
2259 S A -0.5970
2260 P A -0.4639
2261 P A -0.1984
2262 S A 0.1215
2263 L A 0.9424
2264 S A -0.1869
2265 D A -0.9854
2266 W A -0.1568
2267 S A -1.0275
2268 E A -1.7944
2269 S A -1.3139
2270 T A -0.7654
2271 P A -0.5024
2272 S A -0.4721
2273 P A -0.3967
2274 A A -0.1593
2275 T A -0.1366
2276 A A -0.1336
2277 T A -0.2762
2278 G A -0.2145
2279 A A 0.3170
2280 M A 0.9924
2281 A A 0.5539
2282 T A 0.1349
2283 T A -0.2339
2284 T A -0.3704
2285 G A -0.1503
2286 A A 0.5353
2287 L A 1.2431
2288 P A 0.2785
2289 A A -0.2652
2290 Q A -0.8397
2291 P A 0.0282
2292 L A 1.3913
2293 P A 1.1467
2294 L A 2.0586
2295 S A 1.5672
2296 V A 1.8310
2297 P A 0.5645
2298 S A 0.3020
2299 S A 0.5659
2300 L A 1.1667
2301 A A 0.2924
2302 Q A -1.0742
2303 A A -1.1568
2304 Q A -1.7502
2305 T A -0.9508
2306 Q A -0.8368
2307 L A 0.6200
2308 G A -0.2650
2309 P A -0.8012
2310 Q A -1.9389
2311 P A -1.4893
2312 E A -1.2966
2313 V A 0.5130
2314 T A -0.1559
2315 P A -1.2151
2316 K A -2.8417
2317 R A -2.9770
2318 Q A -1.1797
2319 V A 1.4858
2320 L A 2.1929
2321 A A 1.2774
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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 -0.1088 7.1444 View CSV PDB
4.5 -0.1938 7.1444 View CSV PDB
5.0 -0.2966 7.1444 View CSV PDB
5.5 -0.403 7.1444 View CSV PDB
6.0 -0.5002 7.1444 View CSV PDB
6.5 -0.5806 7.1444 View CSV PDB
7.0 -0.6434 7.1444 View CSV PDB
7.5 -0.6939 7.1444 View CSV PDB
8.0 -0.7357 7.1444 View CSV PDB
8.5 -0.7675 7.1444 View CSV PDB
9.0 -0.7856 7.1444 View CSV PDB