Project name: comprehensive_iter1_improved

Chain sequence(s)	A: GIVEQCCTSICSLDQLEDYCNDKDHELCGSHLVEALYLVCGDRGFFYTPKK
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -4.0009
• Maximal score value: 2.7663
• Average score: -1.0604
• Total score value: -54.0798

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	-1.0482
2	I	A	-0.9332
3	V	A	0.0000
4	E	A	-1.9726
5	Q	A	-1.1559
6	C	A	0.0000
7	C	A	-0.3316
8	T	A	-0.3294
9	S	A	0.8631
10	I	A	2.7663
11	C	A	0.0000
12	S	A	-0.3403
13	L	A	-1.4985
14	D	A	-2.7405
15	Q	A	-2.1809
16	L	A	-1.6451
17	E	A	-3.2098
18	D	A	-3.5607
19	Y	A	-2.7517
20	C	A	-2.8547
21	N	A	-3.6385
22	D	A	-4.0009
23	K	A	-3.8682
24	D	A	-3.7804
25	H	A	-3.2077
26	E	A	-2.9357
27	L	A	-1.3772
28	C	A	-1.0730
29	G	A	-0.9089
30	S	A	-0.9360
31	H	A	-1.5101
32	L	A	0.0000
33	V	A	0.1774
34	E	A	-0.8453
35	A	A	0.0814
36	L	A	0.0000
37	Y	A	1.1157
38	L	A	1.7403
39	V	A	0.6567
40	C	A	0.0000
41	G	A	-0.8215
42	D	A	-2.4537
43	R	A	-2.3660
44	G	A	-0.6108
45	F	A	1.1194
46	F	A	2.7574
47	Y	A	1.9235
48	T	A	0.1786
49	P	A	-1.2511
50	K	A	-2.7441
51	K	A	-2.5774