Project name: 4c7fbf45fcc8c40

Chain sequence(s)	A: DEETMEEFLSTHTEYPEDFRRVALEVFRELIEEWRRRL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -3.2343
• Maximal score value: 0.0582
• Average score: -1.675
• Total score value: -63.6512

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
24	D	A	-2.8503
25	E	A	-2.8387
26	E	A	-3.2343
27	T	A	-2.2536
28	M	A	-1.6658
29	E	A	-2.7006
30	E	A	-2.4753
31	F	A	-0.5113
32	L	A	-1.1072
33	S	A	-1.1314
34	T	A	-1.1909
35	H	A	-1.5094
36	T	A	-0.8951
37	E	A	-1.7854
38	Y	A	-0.5112
39	P	A	-1.1241
40	E	A	-1.9867
41	D	A	-2.6111
42	F	A	-1.3411
43	R	A	-2.5170
44	R	A	-2.2528
45	V	A	0.0255
46	A	A	-0.6315
47	L	A	-1.6819
48	E	A	-2.3510
49	V	A	-0.8076
50	F	A	-1.2919
51	R	A	-2.7124
52	E	A	-2.5450
53	L	A	-0.6447
54	I	A	-0.8383
55	E	A	-2.1566
56	E	A	-2.0392
57	W	A	-0.7614
58	R	A	-1.6449
59	R	A	-2.8924
60	R	A	-2.2428
61	L	A	0.0582