Project name: af8e80c183aae2 [mutate: HY157G, HY436G, HY778H, HY857H, HY1087H]

Chain sequence(s)	H: DPGCSELIQASSRITTCSTEGVNTKCRLSGTALIRAGSVGAEACLMLKGVKEDQTKFLKIKTVSSELSCREGQSYWTGSFSPKCLSSRRCHLVGECHVNRCLSWRDNETSAEFSFVGESTTMRENKCFEQCGGWGCGCFNVNPSCLFVHTYLQSVRKEALRVFNCIDWVHKLTLEITDFDGSVSTIDLGASSSRFTNWGSVSLSLDAEGISGSNSFSFIESPGKGYAIVDEPFSEIPRQGFLGEIRCNSESSVLSAHESCLRAPNLISYKPMIDQLECTTNLIDPFVVFERGSLPQTRNDKTFAASKGNRGVQAFSKGSVQADLTLMFDNFEVDFVGAAVSCDAAFLNLTGCYSCNAGARVCLSITSTGTGSLSAHNKDGSLHIVLPSENGTKDQCQILHFTVPEVEEEFMYSCDGDERPLLVKGTLIAID; G: EDPHLRNRPGKGHNYIDGMTQEDATCKPVTYAGACSSFDVLLEKGKFPLFQSYAHHRTLLEAVHDTIIAKADPPSCDLQSAHGNPCMKEKLVMKTHCPNDYQSAHYLNNDGKMASVKCPPKYELTEDCNFCRQMTGASLKKGSYPLQDLFCQSSEDDGSKLKTKMKGVCEVGVQALKKCDGQLSTAHEVVPFAVFKNSKKVYLDKLDLKTEENLLPDSFVCFEKGQYKGKLDSGQTKRELKSFDISQCPKIGGHGSKKCTGDAAFCSAYECTAQYANAYCSHANGSGIVQIQVSGVWKKPLCVGYERVVVKRELS
Selected Chain(s)	H,G
Distance of aggregation	10 Å
FoldX usage	Yes
pH calculations	Yes
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No
Mutated residues	HY157G,HY1087H,HY436G,HY857H,HY778H
Energy difference between WT (input) and mutated protein (by FoldX)	0.38926 kcal/mol

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 all 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.  (00:00:05)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:05)
[INFO]       FoldX:    Building mutant model                                                       (00:14:09)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:16:19)
[INFO]       agg3D:    Running pKa-ANI on                                                          
                       /STORAGE/DATA/lcbio/aggreskan/af8e80c183aae2/tmp/folded.pdb                 (00:16:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:26:26)

• Minimal score value: -4.1124
• Maximal score value: 1.9781
• Average score: -0.6445
• Total score value: -480.8292

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
154	E	G	-1.8930
155	D	G	-1.0860
156	P	G	-0.6621
157	Y	G	-0.1287	mutated: HY157G
158	L	G	-0.0184
159	R	G	-0.0552
160	N	G	-0.1644
161	R	G	0.0000
162	P	G	-0.5473
163	G	G	-1.3110
164	K	G	-2.0712
165	G	G	-1.4638
166	H	G	-1.4596
167	N	G	0.0000
168	Y	G	-1.0123
169	I	G	0.0000
170	D	G	-2.2528
171	G	G	-1.6736
172	M	G	0.0000
173	T	G	-1.6639
174	Q	G	-1.9032
175	E	G	-1.3965
176	D	G	-1.4392
177	A	G	-0.8822
178	T	G	-0.9584
179	C	G	0.0000
180	K	G	-2.2263
181	P	G	-1.6158
182	V	G	0.0000
183	T	G	-0.1845
184	Y	G	0.4540
185	A	G	0.1806
186	G	G	-0.3296
187	A	G	-0.2251
188	C	G	0.0000
189	S	G	0.0000
190	S	G	0.0000
191	F	G	0.0000
192	D	G	-0.9597
193	V	G	-1.0727
194	L	G	0.0000
195	L	G	-1.5660
196	E	G	-3.2154
197	K	G	-3.2709
198	G	G	-2.5682
199	K	G	-2.9472
200	F	G	0.0000
201	P	G	0.0000
202	L	G	0.0000
203	F	G	0.0000
204	Q	G	-0.8719
205	S	G	0.0000
206	Y	G	0.0000
207	A	G	0.0000
208	H	G	0.0000
209	H	G	0.0000
210	R	G	0.0000
211	T	G	0.0000
212	L	G	0.0000
213	L	G	0.0000
214	E	G	0.0000
215	A	G	0.0000
216	V	G	-0.4203
217	H	G	-0.7881
218	D	G	-0.9834
219	T	G	-0.3804
220	I	G	0.0000
221	I	G	0.0000
222	A	G	-1.0633
223	K	G	-1.6970
224	A	G	-1.6528
225	D	G	-2.2158
226	P	G	-1.6981
227	P	G	-1.6291
228	S	G	-1.2055
229	C	G	0.0000
230	D	G	-0.7775
231	L	G	-0.3787
232	Q	G	-1.2383
233	S	G	-1.1578
234	A	G	-1.0191
235	H	G	-1.4391
236	G	G	-1.5907
237	N	G	-1.7039
238	P	G	-1.3764
239	C	G	0.0000
240	M	G	-0.2850
241	K	G	-1.3120
242	E	G	0.0000
243	K	G	0.0000
244	L	G	1.4304
245	V	G	0.7809
246	M	G	0.0000
247	K	G	-1.4237
248	T	G	0.0000
249	H	G	-2.2392
250	C	G	0.0000
251	P	G	-1.5841
252	N	G	-2.1976
253	D	G	-1.5340
254	Y	G	0.0000
255	Q	G	0.0000
256	S	G	0.0000
257	A	G	0.0000
258	H	G	0.0000
259	Y	G	0.0000
260	L	G	0.0000
261	N	G	0.0000
262	N	G	-0.8483
263	D	G	-1.6833
264	G	G	-1.6175
265	K	G	-1.8299
266	M	G	0.0000
267	A	G	0.0000
268	S	G	0.0000
269	V	G	0.0000
270	K	G	-0.2792
271	C	G	0.0000
272	P	G	-0.8358
273	P	G	-1.0882
274	K	G	-1.7090
275	Y	G	-0.7438
276	E	G	0.0000
277	L	G	0.0000
278	T	G	-1.1290
279	E	G	-2.6252
280	D	G	-1.5802
281	C	G	0.0000
282	N	G	0.4740
283	F	G	1.3352
284	C	G	0.2116
285	R	G	-0.6983
286	Q	G	-1.6080
287	M	G	-1.1493
288	T	G	-0.7447
289	G	G	-0.8124
290	A	G	-0.7533
291	S	G	-0.9142
292	L	G	-1.1066
293	K	G	-1.5106
294	K	G	-1.4009
295	G	G	0.0000
296	S	G	0.0000
297	Y	G	0.0000
298	P	G	0.0000
299	L	G	0.0000
300	Q	G	0.0000
301	D	G	0.0000
302	L	G	0.0000
303	F	G	0.0000
304	C	G	0.0000
305	Q	G	0.0000
306	S	G	-0.5675
307	S	G	-1.2654
308	E	G	-2.5970
309	D	G	-2.1326
310	D	G	-2.2359
311	G	G	0.0000
312	S	G	-1.8637
313	K	G	-2.0451
314	L	G	-1.4243
315	K	G	-1.5513
316	T	G	-1.7180
317	K	G	-2.6844
318	M	G	0.0000
319	K	G	-3.0283
320	G	G	-1.7090
321	V	G	0.0000
322	C	G	0.0000
323	E	G	-1.2361
324	V	G	0.0000
325	G	G	0.2347
326	V	G	0.5634
327	Q	G	-0.0455
328	A	G	-0.7887
329	L	G	-1.6298
330	K	G	-2.9611
331	K	G	-2.7863
332	C	G	-2.2650
333	D	G	-2.6574
334	G	G	-1.7769
335	Q	G	-1.5113
336	L	G	-0.7359
337	S	G	-0.4483
338	T	G	-0.6227
339	A	G	-0.5011
340	H	G	-0.7881
341	E	G	-0.9307
342	V	G	0.5005
343	V	G	0.0000
344	P	G	0.0000
345	F	G	0.0000
346	A	G	0.0000
347	V	G	0.0000
348	F	G	0.0000
349	K	G	-2.1273
350	N	G	-2.3785
351	S	G	-2.1252
352	K	G	-2.3341
353	K	G	0.0000
354	V	G	0.0000
355	Y	G	0.0000
356	L	G	-1.3822
357	D	G	-2.4189
358	K	G	-1.2376
359	L	G	0.0000
360	D	G	0.0000
361	L	G	0.0000
362	K	G	-0.3026
363	T	G	0.0000
364	E	G	0.0000
365	E	G	0.3425
366	N	G	0.8107
367	L	G	1.6719
368	L	G	1.8757
369	P	G	0.6890
370	D	G	0.3840
371	S	G	0.0000
372	F	G	0.0000
373	V	G	0.0000
374	C	G	0.0000
375	F	G	0.0000
376	E	G	-1.3504
378	K	G	-3.7557
379	G	G	-3.5816
380	Q	G	-2.9653
381	Y	G	-1.6511
382	K	G	-2.4452
383	G	G	-1.7948
384	K	G	-1.6023
385	L	G	-0.0731
386	D	G	-1.6613
387	S	G	-1.3905
388	G	G	-2.1203
389	Q	G	-2.8534
390	T	G	-1.9821
391	K	G	-3.5888
392	R	G	-4.1124
393	E	G	-3.7064
394	L	G	-2.2095
395	K	G	-2.0232
396	S	G	-0.7883
397	F	G	-0.6981
398	D	G	-1.1397
399	I	G	-0.4872
400	S	G	-0.9057
401	Q	G	-1.4148
402	C	G	0.0000
403	P	G	0.0000
404	K	G	-1.5015
405	I	G	0.5096
406	G	G	-0.4349
407	G	G	-1.1770
408	H	G	-1.9202
409	G	G	-1.5295
410	S	G	-1.0480
411	K	G	-1.4282
412	K	G	-1.2836
413	C	G	0.0000
414	T	G	0.0581
415	G	G	0.1340
416	D	G	-0.0660
417	A	G	0.1951
418	A	G	0.0000
419	F	G	0.0000
420	C	G	0.3162
421	S	G	0.3330
422	A	G	0.0000
423	Y	G	0.0000
424	E	G	-0.8085
425	C	G	0.0031
426	T	G	-0.1638
427	A	G	-0.1680
428	Q	G	-0.6811
429	Y	G	0.4359
430	A	G	-0.1623
431	N	G	-0.6061
432	A	G	0.0000
433	Y	G	0.9554
434	C	G	0.0000
435	S	G	0.0000
436	Y	G	-0.1318	mutated: HY436G
437	A	G	0.0000
438	N	G	0.0000
439	G	G	0.0000
440	S	G	0.0000
441	G	G	0.0000
442	I	G	0.4789
443	V	G	0.0000
444	Q	G	-0.1460
445	I	G	0.0000
446	Q	G	-0.1094
447	V	G	0.0000
448	S	G	0.0712
449	G	G	0.1451
450	V	G	1.2475
451	W	G	0.3812
452	K	G	-0.2338
453	K	G	-0.7968
454	P	G	0.0000
455	L	G	0.0000
456	C	G	0.0000
457	V	G	0.0000
458	G	G	0.0000
459	Y	G	0.4081
460	E	G	0.0000
461	R	G	-0.5193
462	V	G	0.0000
463	V	G	-0.1174
464	V	G	0.0000
465	K	G	-1.1661
466	R	G	-1.6367
467	E	G	-1.3950
468	L	G	-0.3137
469	S	G	-1.2078
688	D	H	-1.5129
689	P	H	0.0000
690	G	H	-0.7520
691	C	H	0.0000
692	S	H	0.0000
693	E	H	0.0000
694	L	H	0.0257
695	I	H	0.1422
696	Q	H	-0.9125
697	A	H	0.0000
698	S	H	-0.8309
699	S	H	-1.2806
700	R	H	-2.0284
701	I	H	0.0000
702	T	H	-0.9802
703	T	H	-0.6612
704	C	H	-0.2332
705	S	H	-0.3737
706	T	H	-0.6430
707	E	H	-1.7081
708	G	H	-0.4749
709	V	H	0.9947
710	N	H	-0.0084
711	T	H	-0.2536
712	K	H	-1.0788
713	C	H	0.0000
714	R	H	-1.8396
715	L	H	0.0000
716	S	H	-1.7739
717	G	H	-1.1034
718	T	H	-0.1570
719	A	H	0.3555
720	L	H	1.1673
721	I	H	0.0000
722	R	H	-1.6451
723	A	H	0.0000
724	G	H	0.0000
725	S	H	0.0148
726	V	H	0.7915
727	G	H	0.2099
728	A	H	0.0000
729	E	H	0.0000
730	A	H	0.0000
731	C	H	0.0000
732	L	H	0.0000
733	M	H	-0.3966
734	L	H	0.0000
735	K	H	-1.2893
736	G	H	-0.7486
737	V	H	0.4504
738	K	H	-1.7445
739	E	H	-2.9208
740	D	H	0.0000
741	Q	H	0.0000
742	T	H	-1.0068
743	K	H	-1.0179
744	F	H	0.0000
745	L	H	0.0000
746	K	H	-0.3745
747	I	H	0.0000
748	K	H	-0.5126
749	T	H	0.0000
750	V	H	0.9223
751	S	H	0.3500
752	S	H	0.0000
753	E	H	0.0000
754	L	H	0.0000
755	S	H	-0.3732
756	C	H	-0.9392
757	R	H	-2.0201
758	E	H	-2.0807
759	G	H	-1.7177
760	Q	H	-1.9176
761	S	H	-1.3752
762	Y	H	0.0000
763	W	H	-0.5262
764	T	H	0.0000
765	G	H	0.0000
766	S	H	0.0000
767	F	H	0.0000
768	S	H	-0.0718
769	P	H	-0.6111
770	K	H	-1.0830
771	C	H	0.0000
772	L	H	0.0000
773	S	H	0.0000
774	S	H	0.0000
775	R	H	0.0000
776	R	H	0.0000
777	C	H	0.0000
778	Y	H	0.3244	mutated: HY778H
779	L	H	0.0347
780	V	H	0.0000
781	G	H	-0.7642
782	E	H	-1.0417
783	C	H	0.0000
784	H	H	-0.8751
785	V	H	-0.6206
786	N	H	-1.2047
787	R	H	-1.3686
788	C	H	0.0000
789	L	H	0.4115
790	S	H	-0.4033
791	W	H	-1.4719
792	R	H	-3.1116
793	D	H	-3.5513
794	N	H	-2.9430
795	E	H	-2.2078
796	T	H	-1.4445
797	S	H	0.0000
798	A	H	-0.2164
799	E	H	0.0000
800	F	H	0.0000
801	S	H	-0.8101
802	F	H	0.0000
803	V	H	-0.1165
804	G	H	-0.8822
805	E	H	-2.0510
806	S	H	-1.3546
807	T	H	-1.0626
808	T	H	-1.2688
809	M	H	0.0000
810	R	H	-1.6827
811	E	H	0.0000
812	N	H	0.0000
813	K	H	-1.1292
814	C	H	-0.5994
815	F	H	-0.2522
816	E	H	-0.7973
817	Q	H	0.0000
818	C	H	0.6139
819	G	H	0.6055
820	G	H	0.7663
821	W	H	0.7535
822	G	H	0.1210
823	C	H	0.0000
824	G	H	-0.0047
825	C	H	0.0000
826	F	H	0.0000
827	N	H	0.6174
828	V	H	1.3779
829	N	H	-0.0185
830	P	H	-0.1326
831	S	H	0.0000
832	C	H	0.0000
833	L	H	0.0000
834	F	H	0.0000
835	V	H	0.0000
836	H	H	0.0000
837	T	H	0.0000
838	Y	H	-0.6707
839	L	H	0.0000
840	Q	H	-0.3607
841	S	H	0.1224
842	V	H	0.7927
843	R	H	-0.4682
844	K	H	-1.4129
845	E	H	-1.7560
846	A	H	0.0000
847	L	H	0.0000
848	R	H	-0.4211
849	V	H	0.0000
850	F	H	0.0000
851	N	H	0.0000
852	C	H	0.0000
853	I	H	-0.5209
854	D	H	-1.0974
855	W	H	0.0000
856	V	H	-0.4469
857	Y	H	0.0000	mutated: HY857H
858	K	H	0.0000
859	L	H	0.0000
860	T	H	-0.1561
861	L	H	0.0000
862	E	H	-0.2457
863	I	H	0.0000
864	T	H	-0.1471
865	D	H	0.0000
866	F	H	0.0000
867	D	H	-2.0768
868	G	H	-1.1018
869	S	H	-0.1583
870	V	H	1.1191
871	S	H	0.6068
872	T	H	0.0327
873	I	H	0.0000
874	D	H	-0.7262
875	L	H	0.0000
876	G	H	0.0000
877	A	H	-0.3352
878	S	H	-0.3691
879	S	H	-0.6394
880	S	H	-0.5142
881	R	H	-0.3366
882	F	H	1.2380
883	T	H	0.0000
884	N	H	-0.0623
885	W	H	0.0000
886	G	H	0.0000
887	S	H	0.1901
888	V	H	0.0000
889	S	H	-0.2237
890	L	H	0.0000
891	S	H	-0.2222
892	L	H	-0.3254
893	D	H	-1.0843
894	A	H	-0.8423
895	E	H	-0.9620
896	G	H	-0.6341
897	I	H	-0.5559
898	S	H	-0.9143
899	G	H	-1.0828
900	S	H	0.0000
901	N	H	-1.6809
902	S	H	-1.8033
903	F	H	-1.6142
904	S	H	0.0000
905	F	H	0.0000
906	I	H	0.0000
907	E	H	0.0000
908	S	H	0.0000
909	P	H	-0.8525
910	G	H	-1.0010
911	K	H	-0.9997
912	G	H	-0.7745
913	Y	H	-0.3733
914	A	H	0.0000
915	I	H	0.0000
916	V	H	-1.6583
917	D	H	-2.7198
918	E	H	-2.7338
919	P	H	-1.7076
920	F	H	-0.9014
921	S	H	0.0000
922	E	H	-1.1562
923	I	H	0.9894
924	P	H	0.0000
925	R	H	-1.1513
926	Q	H	-1.7921
927	G	H	-1.0341
928	F	H	-0.1397
929	L	H	0.0000
930	G	H	0.0000
931	E	H	0.0000
932	I	H	0.0000
933	R	H	-0.0765
934	C	H	0.0000
935	N	H	-1.4979
936	S	H	-0.9636
937	E	H	-1.1716
938	S	H	-0.9074
939	S	H	0.0000
940	V	H	0.0000
941	L	H	-0.3602
942	S	H	-0.5964
943	A	H	0.0000
944	H	H	-1.3180
945	E	H	-1.6754
946	S	H	-1.0161
947	C	H	-0.3403
948	L	H	0.9645
949	R	H	-0.1084
950	A	H	0.0000
951	P	H	-1.4288
952	N	H	-2.1525
953	L	H	0.0000
954	I	H	0.0000
955	S	H	-1.1303
956	Y	H	-1.1940
957	K	H	-1.9691
958	P	H	-1.1262
959	M	H	-0.3189
960	I	H	0.1833
961	D	H	-0.2412
962	Q	H	-0.8971
963	L	H	0.0000
964	E	H	-2.3828
965	C	H	-1.3009
966	T	H	-0.9157
967	T	H	-0.8511
968	N	H	-1.5628
969	L	H	-0.5440
970	I	H	0.2470
971	D	H	0.1361
972	P	H	0.0000
973	F	H	0.0000
974	V	H	0.1940
975	V	H	0.0000
976	F	H	0.0000
977	E	H	-2.2015
978	R	H	-2.5098
979	G	H	-1.6615
980	S	H	-1.1348
981	L	H	-0.4930
982	P	H	-0.3761
983	Q	H	-0.7626
984	T	H	-1.2491
985	R	H	-2.0690
986	N	H	-2.6642
987	D	H	-2.7141
988	K	H	-1.7303
989	T	H	-0.8377
990	F	H	0.0000
991	A	H	0.0145
992	A	H	-0.6396
993	S	H	-1.6136
994	K	H	-2.5427
995	G	H	-1.9505
996	N	H	-2.0746
997	R	H	-2.5591
998	G	H	-1.6241
999	V	H	0.0000
1000	Q	H	0.0000
1001	A	H	0.0000
1002	F	H	0.2382
1003	S	H	-0.9387
1004	K	H	-1.7267
1005	G	H	-1.2703
1006	S	H	-1.1404
1007	V	H	0.0000
1008	Q	H	-1.6797
1009	A	H	0.0000
1010	D	H	-1.1034
1011	L	H	0.0000
1012	T	H	0.2375
1013	L	H	0.0000
1014	M	H	0.2063
1015	F	H	0.0000
1016	D	H	-2.4325
1017	N	H	-2.2934
1018	F	H	-1.4757
1019	E	H	-1.7207
1020	V	H	-1.6952
1021	D	H	-1.9842
1022	F	H	0.3116
1023	V	H	1.3945
1024	G	H	0.7027
1025	A	H	0.0234
1026	A	H	-0.3671
1027	V	H	-0.3741
1028	S	H	-1.0697
1029	C	H	-1.5321
1030	D	H	-2.2850
1031	A	H	0.0000
1032	A	H	-0.1144
1033	F	H	0.1847
1034	L	H	-0.1470
1035	N	H	-1.4313
1036	L	H	0.0000
1037	T	H	-1.0052
1038	G	H	-0.1168
1039	C	H	0.0000
1040	Y	H	0.6526
1041	S	H	0.1669
1042	C	H	-0.2223
1043	N	H	-0.8128
1044	A	H	-0.1750
1045	G	H	0.0000
1046	A	H	0.0000
1047	R	H	-2.0004
1048	V	H	0.0000
1049	C	H	-0.7858
1050	L	H	0.0000
1051	S	H	-1.3718
1052	I	H	0.0000
1053	T	H	-1.8640
1054	S	H	0.0000
1055	T	H	-0.8757
1056	G	H	-0.9507
1057	T	H	-0.9341
1058	G	H	-1.0304
1059	S	H	-0.4871
1060	L	H	0.0000
1061	S	H	-0.7097
1062	A	H	0.0000
1063	H	H	-1.6049
1064	N	H	0.0000
1065	K	H	-3.0919
1066	D	H	-3.0911
1067	G	H	-2.0722
1068	S	H	-1.2623
1069	L	H	0.0000
1070	H	H	-0.6598
1071	I	H	0.0000
1072	V	H	0.0000
1073	L	H	0.0000
1074	P	H	-0.8204
1075	S	H	0.0000
1076	E	H	-2.2421
1077	N	H	-2.1503
1078	G	H	-1.6891
1079	T	H	-1.9154
1080	K	H	-2.8665
1081	D	H	-2.4924
1082	Q	H	-1.2687
1083	C	H	-0.9454
1084	Q	H	0.0000
1085	I	H	0.0000
1086	L	H	0.0000
1087	Y	H	0.3004	mutated: HY1087H
1088	F	H	0.0000
1089	T	H	0.2750
1090	V	H	0.4546
1091	P	H	-0.3757
1092	E	H	-2.1530
1093	V	H	0.0000
1094	E	H	-2.9513
1095	E	H	-2.4900
1096	E	H	-2.1768
1097	F	H	0.0000
1098	M	H	-1.6966
1099	Y	H	0.0000
1100	S	H	0.0000
1101	C	H	0.0000
1102	D	H	-2.3108
1103	G	H	-2.7403
1104	D	H	-3.3352
1105	E	H	-3.0961
1106	R	H	-2.9230
1107	P	H	-1.4739
1108	L	H	-0.4322
1109	L	H	-0.6202
1110	V	H	0.0000
1111	K	H	-2.7508
1112	G	H	-2.1977
1113	T	H	-0.9681
1114	L	H	0.0000
1115	I	H	1.9781
1116	A	H	1.3264
1117	I	H	0.7719
1118	D	H	-1.1514

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	-0.5009	3.9403
4.5	-0.5546	3.8567
5.0	-0.6191	3.7592
5.5	-0.6829	3.6603
6.0	-0.7337	3.5706
6.5	-0.7616	3.4978
7.0	-0.7653	3.4407
7.5	-0.7522	3.3925
8.0	-0.7294	3.3491
8.5	-0.6989	3.311
9.0	-0.66	3.2818