Project name: comprehensive

Chain sequence(s)	A: GIVEQCCTSICSLDQLEDYCNDKDHELCGSHLVEALYLVCGHRGFFYTPKK
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -4.5062
• Maximal score value: 2.7759
• Average score: -0.88
• Total score value: -44.8817

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
1	G	A	-0.8093
2	I	A	-0.5793
3	V	A	0.1690
4	E	A	-1.5494
5	Q	A	-0.4436
6	C	A	0.0000
7	C	A	0.2323
8	T	A	-0.3242
9	S	A	0.7741
10	I	A	2.3099
11	C	A	0.0000
12	S	A	-0.6452
13	L	A	-1.7775
14	D	A	-3.1663
15	Q	A	-2.3756
16	L	A	0.0000
17	E	A	-3.0871
18	D	A	-3.6306
19	Y	A	-2.7455
20	C	A	-3.0004
21	N	A	-4.0720
22	D	A	-4.5062
23	K	A	-4.0859
24	D	A	-3.9106
25	H	A	-3.2542
26	E	A	-2.9020
27	L	A	-1.3497
28	C	A	-1.1739
29	G	A	-0.7630
30	S	A	-0.9083
31	H	A	-1.4119
32	L	A	0.0000
33	V	A	0.4324
34	E	A	-0.3911
35	A	A	0.7521
36	L	A	0.0000
37	Y	A	2.0560
38	L	A	2.3622
39	V	A	2.5050
40	C	A	0.0000
41	G	A	0.0384
42	H	A	-1.4151
43	R	A	-1.5871
44	G	A	0.0716
45	F	A	1.7532
46	F	A	2.7759
47	Y	A	1.5440
48	T	A	-0.0209
49	P	A	-1.3644
50	K	A	-2.8439
51	K	A	-2.5636