Project name: C134R_5

Status: done

Started: 2026-05-18 05:12:48
Chain sequence(s) A: MGPGARGRRRRRRPMSPPPPPPPVRALPLLLLLAGPGAAAPPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARRSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSVPLLPLLVAGAVLLLVILVLGVMVARRKREHSTLWFPEGFSLHKDVASGHKGRREPVGQDALGMKNMAKGESLMGEVATDWMDTECPEAKRLKVEEPGMGAEEAVDCRQWTQHHLVAADIRVAPAMALTPPQGDADADGMDVNVRGPDGFTPLMLASFCGGALEPMPTEEDEADDTSASIISDLICQGAQLGARTDRTGETALHLAARYARADAAKRLLDAGADTNAQDHSGRTPLHTAVTADAQGVFQILIRNRSTDLDARMADGSTALILAARLAVEGMVEELIASHADVNAVDELGKSALHWAAAVNNVEATLALLKNGANKDMQDSKEETPLFLAAREGSYEAAKLLLDHFANREITDHLDRLPRDVAQERLHQDIVRLLDQPSGPRSPPGPHGLGPLLCPPGAFLPGLKAAQSGSKKSRRPPGKAGLGPQGPRGRGKKLTLACPGPLADSSVTLSPVDSLDSPRPFGGPPASPGGFPLEGPYAAATATAVSLAQLGGPGRAGLGRQPPGGCVLSLGLLNPVAVPLDWARLPPPAPPGPSFLLPLAPGPQLLNPGTPVSPQERPPPYLAVPGHGEEYPAAGAHSSPPKARFLRVPSEHPYLTPSPESPEHWASPSPPSLSDWSESTPSPATATGAMATTTGALPAQPLPLSVPSSLAQAQTQLGPQPEVTPKRQVLA
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]                                                (00:00:01)
[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             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       PDB-Info: The input structure is globular. Max score is recommended for pH analysis.  (00:00:39)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:40)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:34:03)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/d3c4a7a6142a72/tmp/folded.pdb                 (00:34:03)
[INFO]       Main:     Simulation completed successfully.                                          (01:12:39)
Show buried residues

Minimal score value
-2.6299
Maximal score value
2.3836
Average score
-0.2807
Total score value
-651.4789

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 0.9696
2 G A -0.3231
3 P A -0.4245
4 G A -0.5022
5 A A -0.3681
6 R A -1.9213
7 G A -1.1519
8 R A -2.2671
9 R A -2.5158
10 R A -2.6184
11 R A -2.6299
12 R A -2.5273
13 R A -2.2280
14 P A -0.3971
15 M A 0.9676
16 S A -0.0651
17 P A -0.3397
18 P A -0.3475
19 P A -0.3478
20 P A -0.3479
21 P A -0.3480
22 P A -0.3480
23 P A 0.0271
24 V A 1.3868
25 R A -1.5076
26 A A 0.0027
27 L A 1.5120
28 P A 0.3142
29 L A 1.7864
30 L A 2.1177
31 L A 2.1180
32 L A 2.1138
33 L A 1.8384
34 A A 0.2600
35 G A -0.5016
36 P A -0.4262
37 G A -0.5028
38 A A -0.0182
39 A A 0.0794
40 A A 0.0493
41 P A -0.0845
42 P A -0.0523
43 C A 0.0000
44 L A 1.2238
45 D A -1.5934
46 G A -0.8001
47 S A -0.1910
48 P A -0.2518
49 C A -0.0436
50 A A -0.1294
51 N A -0.9786
52 G A -0.6396
53 G A -0.4414
54 R A -1.7678
55 C A 0.1342
56 T A -0.1541
57 Q A -1.1001
58 L A 0.2782
59 P A -0.1949
60 S A -0.5867
61 R A -2.2188
62 E A -2.1612
63 A A 0.0000
64 A A 0.0257
65 C A 0.4211
66 L A 1.6051
67 C A 0.5061
68 P A -0.0704
69 P A -0.2793
70 G A -0.0833
71 W A 0.0856
72 V A 0.3067
73 G A -0.3619
74 E A -1.9484
75 R A -0.9557
76 C A 0.0000
77 Q A -0.6992
78 L A -0.2374
79 E A -1.7829
80 D A -0.5816
81 P A -0.0711
82 C A -0.0804
83 H A -1.0095
84 S A -0.4774
85 G A -0.5159
86 P A -0.1327
87 C A -0.0093
88 A A 0.0004
89 G A -0.5378
90 R A -1.8934
91 G A -0.0451
92 V A 1.7829
93 C A 0.2973
94 Q A -0.8507
95 S A -0.1784
96 S A -0.0576
97 V A 1.1443
98 V A 1.9410
99 A A 0.2981
100 G A -0.4648
101 T A -0.1342
102 A A 0.0000
103 R A -1.7217
104 F A 0.2530
105 S A -0.0747
106 C A -0.2824
107 R A -1.7845
108 C A -0.1316
109 P A -0.3389
110 R A -1.8746
111 G A -0.3281
112 F A 0.5275
113 R A -0.4663
114 G A -0.2975
115 P A -0.4083
116 D A -0.7443
117 C A 0.0000
118 S A 0.0214
119 L A 0.7211
120 P A -0.0821
121 D A -0.4106
122 P A -0.1013
123 C A 0.2414
124 L A 0.7991
125 S A -0.0743
126 S A -0.1454
127 P A -0.2513
128 C A 0.0236
129 A A -0.1184
130 H A -0.8613
131 G A -0.6065
132 A A 0.0000
133 R A -2.1882
134 R A -2.2162
135 S A -0.3341
136 V A 1.1327
137 G A 0.0000
138 P A -0.5793
139 D A -1.8611
140 G A -0.6599
141 R A -1.0565
142 F A 0.4166
143 L A 1.2817
144 C A 0.0902
145 S A -0.1662
146 C A 0.1071
147 P A -0.0837
148 P A -0.2760
149 G A -0.0410
150 Y A -0.1990
151 Q A -1.2604
152 G A -1.0292
153 R A -1.9441
154 S A -0.4013
155 C A 0.0000
156 R A -1.8834
157 S A -0.7085
158 D A -0.7733
159 V A 0.1932
160 D A -0.2726
161 E A -0.3208
162 C A -0.2562
163 R A -1.4983
164 V A 1.3844
165 G A -0.2896
166 E A -1.8811
167 P A -0.3814
168 C A 0.0000
169 R A -1.7239
170 H A -1.2609
171 G A -0.6362
172 G A -0.1213
173 T A -0.0599
174 C A 0.2280
175 L A 0.5349
176 N A -0.4453
177 T A 0.0000
178 P A -0.2659
179 G A -0.1406
180 S A -0.0571
181 F A 0.0450
182 R A -1.7328
183 C A -0.4606
184 Q A -1.1384
185 C A -0.0202
186 P A -0.0518
187 A A 0.0199
188 G A -0.0200
189 Y A 0.3449
190 T A 0.0258
191 G A -0.1886
192 P A -0.2129
193 L A 0.3341
194 C A 0.0000
195 E A -0.9093
196 N A -1.3998
197 P A -0.4161
198 A A 0.2923
199 V A 1.5373
200 P A 0.2814
201 C A 0.1413
202 A A 0.0106
203 P A -0.2640
204 S A -0.1673
205 P A -0.0493
206 C A -0.3096
207 R A -1.9961
208 N A -1.3231
209 G A -0.6370
210 G A -0.1132
211 T A -0.0611
212 C A -0.2499
213 R A -2.0504
214 Q A -1.5034
215 S A -0.4009
216 G A -0.5473
217 D A -1.6359
218 L A 0.7111
219 T A 0.2092
220 Y A 0.0190
221 D A -1.6860
222 C A 0.0000
223 A A 0.0699
224 C A 0.4006
225 L A 0.8976
226 P A -0.1005
227 G A -0.2453
228 F A -0.1693
229 E A -1.8184
230 G A -0.7820
231 Q A -1.2969
232 N A -0.5213
233 C A 0.0000
234 E A -1.3740
235 V A 0.8018
236 N A -0.1202
237 V A 0.2075
238 D A -1.7588
239 D A -0.7844
240 C A -0.0426
241 P A -0.3246
242 G A -0.5746
243 H A -0.7599
244 R A -1.9059
245 C A 0.0000
246 L A 0.9248
247 N A -0.6495
248 G A -0.6110
249 G A -0.1110
250 T A -0.0609
251 C A 0.2489
252 V A 0.7359
253 D A -0.5538
254 G A 0.0688
255 V A 1.5337
256 N A -0.8643
257 T A -0.2415
258 Y A -0.1304
259 N A -1.2170
260 C A -0.3631
261 Q A -1.1424
262 C A -0.0222
263 P A -0.0651
264 P A -0.3693
265 E A -0.5938
266 W A -0.0006
267 T A -0.2551
268 G A -0.5648
269 Q A -1.1669
270 F A 0.3036
271 C A 0.0000
272 T A -0.4026
273 E A -1.8838
274 D A -0.5402
275 V A -0.0411
276 D A -1.0983
277 E A -0.3279
278 C A -0.1566
279 Q A -0.8957
280 L A 1.0870
281 Q A -0.9261
282 P A -0.6943
283 N A -1.3178
284 A A -0.2230
285 C A 0.0000
286 H A -0.8582
287 N A -0.9719
288 G A -0.6145
289 G A -0.1271
290 T A -0.0261
291 C A 0.2599
292 F A 0.6127
293 N A -0.5487
294 T A 0.0853
295 L A 1.5134
296 G A 0.1302
297 G A -0.1602
298 H A -0.5259
299 S A -0.2615
300 C A 0.1870
301 V A 0.6741
302 C A 0.4194
303 V A 0.5824
304 N A -1.1279
305 G A 0.0000
306 W A 0.1242
307 T A -0.0456
308 G A -0.6094
309 E A -1.8775
310 S A -0.3732
311 C A 0.0000
312 S A -0.4159
313 Q A -1.3100
314 N A -0.4388
315 I A 0.5973
316 D A -1.2339
317 D A -0.5991
318 C A 0.0600
319 A A 0.0668
320 T A -0.0589
321 A A 0.3348
322 V A 1.7935
323 C A 0.6620
324 F A 0.8765
325 H A -0.8846
326 G A -0.6444
327 A A -0.0596
328 T A -0.0404
329 C A 0.0762
330 H A -0.6235
331 D A -1.6853
332 R A -0.4611
333 V A 1.6022
334 A A 0.3124
335 S A -0.0120
336 F A 0.2645
337 Y A 0.8908
338 C A 0.0000
339 A A 0.0780
340 C A 0.2667
341 P A 0.1542
342 M A 1.0227
343 G A -0.0292
344 K A -0.8366
345 T A -0.1197
346 G A 0.0841
347 L A 0.8890
348 L A 0.5025
349 C A 0.0000
350 H A -0.3677
351 L A -0.1711
352 D A -1.8911
353 D A -0.8168
354 A A -0.0466
355 C A 0.4242
356 V A 1.7527
357 S A -0.1184
358 N A -1.3322
359 P A -0.3323
360 C A 0.0172
361 H A -0.5362
362 E A -2.1859
363 D A -2.1196
364 A A 0.0020
365 I A 1.6465
366 C A 0.2362
367 D A -1.2017
368 T A 0.0000
369 N A -0.1599
370 P A 0.0550
371 V A 0.7965
372 N A -0.7483
373 G A -0.5831
374 R A -1.8569
375 A A -0.1462
376 I A 1.0347
377 C A 0.2844
378 T A 0.0184
379 C A 0.1825
380 P A 0.0000
381 P A -0.2645
382 G A -0.0409
383 F A 0.1516
384 T A -0.0690
385 G A -0.4794
386 G A -0.5330
387 A A -0.0497
388 C A 0.0000
389 D A -2.0085
390 Q A -1.6065
391 D A -0.5792
392 V A 0.0009
393 D A -1.0071
394 E A -0.4510
395 C A 0.0719
396 S A 0.1812
397 I A 1.8876
398 G A -0.0825
399 A A -0.2479
400 N A -1.1972
401 P A -0.2482
402 C A 0.0000
403 E A -1.7636
404 H A -0.3276
405 L A 1.4942
406 G A 0.0000
407 R A -1.9670
408 C A 0.0000
409 V A 0.4356
410 N A -0.2342
411 T A -0.2627
412 Q A -1.2139
413 G A -0.3164
414 S A -0.0673
415 F A 0.6860
416 L A 1.3824
417 C A 0.0000
418 Q A -1.3443
419 C A -0.0446
420 G A -0.5519
421 R A -1.8964
422 G A 0.0000
423 Y A -0.0216
424 T A -0.0340
425 G A -0.2018
426 P A -0.4936
427 R A -1.2298
428 C A 0.0000
429 E A -1.3526
430 T A -0.5768
431 D A -1.4433
432 V A 0.1171
433 N A -0.5971
434 E A -0.4274
435 C A 0.3220
436 L A 1.5277
437 S A -0.0164
438 G A -0.5110
439 P A -0.1009
440 C A -0.1686
441 R A -1.9546
442 N A -1.2403
443 Q A -1.3205
444 A A -0.1893
445 T A 0.0124
446 C A 0.1507
447 L A 0.0000
448 D A -0.5064
449 R A -0.7504
450 I A 1.7393
451 G A -0.1269
452 Q A -1.1631
453 F A -0.0359
454 T A 0.0277
455 C A 0.1283
456 I A 0.2822
457 C A 0.3641
458 M A 0.6351
459 A A 0.1668
460 G A 0.0000
461 F A -0.0235
462 T A -0.0470
463 G A -0.2661
464 T A 0.0122
465 Y A 0.6982
466 C A 0.0000
467 E A -0.4781
468 V A 0.6752
469 D A -1.4436
470 I A 0.0395
471 D A -1.1200
472 E A -1.0839
473 C A -0.2832
474 Q A -1.2199
475 S A -0.4696
476 S A -0.2588
477 P A -0.0680
478 C A 0.2357
479 V A 0.8457
480 N A -0.7766
481 G A -0.6344
482 G A 0.2114
483 V A 1.7886
484 C A 0.2485
485 K A -1.5873
486 D A -2.2723
487 R A -1.8448
488 V A 1.2046
489 N A -0.9686
490 G A -0.2137
491 F A 0.4320
492 S A 0.1005
493 C A 0.1035
494 T A 0.0026
495 C A 0.1521
496 P A -0.1099
497 S A -0.2413
498 G A -0.3360
499 F A 0.0212
500 S A -0.1074
501 G A -0.4163
502 S A -0.2808
503 T A -0.0427
504 C A 0.0000
505 Q A -0.9679
506 L A 0.7042
507 D A -1.3894
508 V A 0.0632
509 D A -1.7295
510 E A -0.7131
511 C A 0.0359
512 A A 0.0373
513 S A -0.2147
514 T A -0.1132
515 P A -0.0383
516 C A 0.0000
517 R A -1.8378
518 N A -1.5799
519 G A -0.6788
520 A A -0.3572
521 K A -1.6843
522 C A -0.1308
523 V A 0.1902
524 D A -1.7626
525 Q A -1.2074
526 P A -0.7290
527 D A -1.8634
528 G A -0.3989
529 Y A 0.1292
530 E A -1.3367
531 C A -0.5168
532 R A -1.7826
533 C A -0.0882
534 A A -0.2614
535 E A -1.8263
536 G A -0.3362
537 F A -0.1130
538 E A -1.1183
539 G A -0.4966
540 T A -0.0445
541 L A 0.4168
542 C A 0.0000
543 D A -2.1191
544 R A -2.3893
545 N A -1.3674
546 V A 0.3430
547 D A -1.7646
548 D A -1.0525
549 C A -0.2372
550 S A -0.2608
551 P A -0.6294
552 D A -1.8261
553 P A -0.3489
554 C A 0.0000
555 H A -1.0750
556 H A -0.6749
557 G A -0.5142
558 R A -1.8511
559 C A 0.0365
560 V A 1.1165
561 D A -1.4931
562 G A -0.2133
563 I A 1.9742
564 A A 0.3537
565 S A -0.0660
566 F A 0.3999
567 S A -0.0700
568 C A 0.0809
569 A A 0.1153
570 C A 0.2911
571 A A 0.0360
572 P A -0.2607
573 G A -0.2493
574 Y A 0.0620
575 T A -0.0515
576 G A -0.2675
577 T A -0.3011
578 R A -1.0522
579 C A 0.0000
580 E A -1.5560
581 S A -0.5812
582 Q A -1.0247
583 V A 0.4237
584 D A -1.3030
585 E A -0.6372
586 C A 0.0000
587 R A -1.8836
588 S A -0.7670
589 Q A -1.2424
590 P A -0.2543
591 C A 0.0000
592 R A -1.9067
593 H A -0.7618
594 G A -0.5360
595 G A -0.4047
596 K A -1.7085
597 C A 0.0000
598 L A 0.0291
599 D A -1.5370
600 L A 0.7263
601 V A 1.5796
602 D A -1.7819
603 K A -1.9387
604 Y A 0.2247
605 L A 1.4821
606 C A -0.0023
607 R A -1.7818
608 C A -0.0846
609 P A -0.0861
610 S A -0.2459
611 G A -0.2994
612 T A 0.0000
613 T A -0.0867
614 G A 0.0893
615 V A 1.6900
616 N A 0.0943
617 C A 0.0000
618 E A -0.4117
619 V A 0.9333
620 N A -0.3454
621 I A 1.1400
622 D A -1.6809
623 D A -1.3299
624 C A -0.0909
625 A A 0.0358
626 S A -0.4302
627 N A -1.3200
628 P A -0.2609
629 C A 0.1401
630 T A 0.1756
631 F A 1.1897
632 G A 0.4334
633 V A 1.7733
634 C A 0.1197
635 R A -2.1610
636 D A -2.0861
637 G A -0.4999
638 I A 0.5349
639 N A -1.4734
640 R A -1.9723
641 Y A -0.1638
642 D A -0.9978
643 C A 0.1294
644 V A 1.2271
645 C A 0.3651
646 Q A -0.5656
647 P A -0.5525
648 G A -0.2868
649 F A -0.0264
650 T A 0.1570
651 G A -0.2330
652 P A -0.1510
653 L A 0.7204
654 C A 0.0000
655 N A -0.9114
656 V A 1.1298
657 E A -1.2689
658 I A 0.4923
659 N A -1.1289
660 E A -0.5375
661 C A 0.0592
662 A A 0.0385
663 S A -0.2412
664 S A -0.2620
665 P A -0.0786
666 C A 0.1264
667 G A -0.3987
668 E A -1.9224
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1954 A A 0.0000
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1974 T A 0.0000
1975 P A 0.0000
1976 L A 0.0000
1977 F A 0.0000
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1981 R A -0.6842
1982 E A -1.0973
1983 G A -0.3477
1984 S A 0.0000
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1986 E A -0.8788
1987 A A 0.0000
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1990 L A -0.0719
1991 L A 0.0000
1992 L A 0.0391
1993 D A -1.7674
1994 H A -0.1931
1995 F A 1.6502
1996 A A 0.0000
1997 N A -0.6239
1998 R A -0.7581
1999 E A -1.8788
2000 I A 0.0000
2001 T A -0.0592
2002 D A 0.0000
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2004 L A 0.2279
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2006 R A -0.4601
2007 L A 0.2781
2008 P A 0.0000
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2010 D A -1.2385
2011 V A 0.0000
2012 A A 0.0000
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2014 E A -2.3097
2015 R A -1.6258
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2017 H A -0.1056
2018 Q A -1.3846
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2269 S A -0.6234
2270 T A -0.1595
2271 P A -0.3080
2272 S A -0.3130
2273 P A -0.2878
2274 A A -0.0031
2275 T A -0.0451
2276 A A 0.0275
2277 T A -0.1874
2278 G A -0.4745
2279 A A 0.1648
2280 M A 1.0798
2281 A A 0.3249
2282 T A -0.0727
2283 T A -0.1024
2284 T A -0.1805
2285 G A -0.4671
2286 A A 0.2615
2287 L A 1.5071
2288 P A 0.0734
2289 A A -0.2722
2290 Q A -1.2333
2291 P A -0.1888
2292 L A 1.4517
2293 P A 0.3863
2294 L A 1.4471
2295 S A 0.4609
2296 V A 1.6796
2297 P A 0.0378
2298 S A -0.3117
2299 S A 0.1241
2300 L A 1.5069
2301 A A 0.0586
2302 Q A -1.1732
2303 A A -0.4465
2304 Q A -1.1984
2305 T A -0.5398
2306 Q A -0.8344
2307 L A 1.1662
2308 G A -0.2357
2309 P A -0.6089
2310 Q A -1.3032
2311 P A -0.8492
2312 E A -1.5153
2313 V A 1.3968
2314 T A 0.2579
2315 P A -0.5577
2316 K A -2.0873
2317 R A -2.3887
2318 Q A -1.2004
2319 V A 1.8322
2320 L A 1.8956
2321 A A 0.4312
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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 0.0054 4.6684 View CSV PDB
4.5 -0.0263 4.6684 View CSV PDB
5.0 -0.0651 4.6684 View CSV PDB
5.5 -0.1055 4.6684 View CSV PDB
6.0 -0.1423 4.6684 View CSV PDB
6.5 -0.1722 4.6684 View CSV PDB
7.0 -0.1952 4.6684 View CSV PDB
7.5 -0.2135 4.6684 View CSV PDB
8.0 -0.2287 4.6684 View CSV PDB
8.5 -0.2405 4.6684 View CSV PDB
9.0 -0.2474 4.6684 View CSV PDB