Project name: query_structure

Chain sequence(s)	A: GKVTHSIHIEKDTYGFSLSSVEEDGIRRLYVNSVKETGLASKKGLKAGDEILEINNRAADALNSSMMEDFFSQPSVGLLVRTYPEL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -3.3699
• Maximal score value: 0.8022
• Average score: -1.196
• Total score value: -102.8575

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
840	G	A	-0.8146
841	K	A	-1.4293
842	V	A	-0.5031
843	T	A	-0.7380
844	H	A	-1.1153
845	S	A	-0.9857
846	I	A	0.0000
847	H	A	-1.6782
848	I	A	0.0000
849	E	A	-2.8881
850	K	A	-2.5656
856	D	A	-2.1327
857	T	A	-1.2820
858	Y	A	0.0000
859	G	A	0.0000
860	F	A	-0.6055
861	S	A	-0.3405
862	L	A	-0.1034
863	S	A	-0.3001
864	S	A	-0.5902
865	V	A	-0.9842
866	E	A	-3.0438
867	E	A	-3.3699
868	D	A	-2.9954
869	G	A	-1.9879
870	I	A	-1.0153
871	R	A	-1.8036
872	R	A	-1.3068
873	L	A	0.0000
874	Y	A	-0.0935
875	V	A	0.0000
876	N	A	-1.2681
877	S	A	-1.2343
878	V	A	-1.6162
879	K	A	-2.6678
880	E	A	-2.9520
881	T	A	-1.7909
882	G	A	-1.6639
883	L	A	-1.7715
884	A	A	0.0000
885	S	A	-2.3664
886	K	A	-2.9005
887	K	A	-2.5546
888	G	A	-1.7588
889	L	A	0.0000
890	K	A	-1.6475
891	A	A	-0.9617
892	G	A	-0.8017
893	D	A	0.0000
894	E	A	-0.5584
895	I	A	0.0000
896	L	A	-0.8825
897	E	A	-1.5253
898	I	A	0.0000
899	N	A	-1.3295
900	N	A	-1.9764
901	R	A	-2.1194
902	A	A	-1.5691
903	A	A	0.0000
904	D	A	-2.2743
905	A	A	-1.2869
906	L	A	0.0000
907	N	A	-1.8588
908	S	A	-1.5349
909	S	A	-1.5757
910	M	A	-1.3839
911	M	A	-1.5444
912	E	A	-2.7660
913	D	A	-2.5353
914	F	A	-1.3091
915	F	A	-0.9933
916	S	A	-1.7617
917	Q	A	-1.9377
918	P	A	-1.7779
919	S	A	-1.7584
920	V	A	0.0000
921	G	A	-1.1981
922	L	A	0.0000
923	L	A	-0.9033
924	V	A	0.0000
925	R	A	-1.3576
926	T	A	0.0000
927	Y	A	-0.0221
928	P	A	-0.4879
929	E	A	-0.8032
930	L	A	0.8022