Project name: DDo

Chain sequence(s)	A: QGDMKQLAEDVKLQLYKLLEIPDPDKNWATLAQKLGLGILNNAFRLSPAPSKTLMDNYEVSGGTVRELVEALRQMGYTEAIEVIQAAS
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)

• Minimal score value: -3.9151
• Maximal score value: 1.6757
• Average score: -1.0886
• Total score value: -95.7976

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
805	Q	A	-1.6132
806	G	A	-1.8856
807	D	A	-2.0657
808	M	A	0.0000
809	K	A	-3.0135
810	Q	A	-2.3366
811	L	A	0.0000
812	A	A	-1.9493
813	E	A	-2.9227
814	D	A	-2.4644
815	V	A	0.0000
816	K	A	-1.6162
817	L	A	-1.0201
818	Q	A	-1.3058
819	L	A	0.0000
820	Y	A	0.0000
821	K	A	-1.9191
822	L	A	0.0000
823	L	A	0.0000
824	E	A	-1.6306
825	I	A	0.0452
826	P	A	-0.5733
827	D	A	-1.2432
828	P	A	-1.4046
829	D	A	-2.4633
830	K	A	-1.7540
831	N	A	-1.1407
832	W	A	-1.1720
833	A	A	-1.1570
834	T	A	-1.3620
835	L	A	0.0000
836	A	A	0.0000
837	Q	A	-1.3858
838	K	A	-2.3528
839	L	A	-1.4573
840	G	A	-0.6302
841	L	A	0.0558
842	G	A	-0.0029
843	I	A	1.6757
844	L	A	0.5124
845	N	A	-0.3689
846	N	A	-1.0871
847	A	A	-0.2316
848	F	A	0.0000
849	R	A	-1.5580
850	L	A	0.2740
851	S	A	-0.2634
852	P	A	-0.3290
853	A	A	-0.7002
854	P	A	-1.1083
855	S	A	0.0000
856	K	A	-1.4958
857	T	A	-1.0833
858	L	A	0.0000
859	M	A	0.0000
860	D	A	-1.3410
861	N	A	-0.8145
862	Y	A	0.0000
863	E	A	-1.5408
864	V	A	0.4191
865	S	A	-0.3250
866	G	A	-0.9807
867	G	A	-1.2564
868	T	A	-2.2571
869	V	A	-2.0555
870	R	A	-3.0585
871	E	A	-3.5225
872	L	A	0.0000
873	V	A	-2.6303
874	E	A	-3.9151
875	A	A	0.0000
876	L	A	0.0000
877	R	A	-3.3484
878	Q	A	-2.8511
879	M	A	0.0000
880	G	A	-2.2862
881	Y	A	0.0000
882	T	A	-1.7280
883	E	A	-2.4404
884	A	A	0.0000
885	I	A	-1.9060
886	E	A	-2.5167
887	V	A	-1.5941
888	I	A	0.0000
889	Q	A	-1.8277
890	A	A	-0.9179
891	A	A	-0.9069
892	S	A	-0.6915