Project name: query_structure

Chain sequence(s)	A: KCLAEAADCSPWSGDSCCKPYLCSCIFFYPCSCRPKGW
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.0758
• Maximal score value: 3.8794
• Average score: 0.0049
• Total score value: 0.1855

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	K	A	-1.5455
2	C	A	-0.8781
3	L	A	-0.7715
4	A	A	-1.1420
5	E	A	-2.0758
6	A	A	-0.8969
7	A	A	-1.0615
8	D	A	-1.8587
9	C	A	-0.4611
10	S	A	-0.4586
11	P	A	0.0220
12	W	A	0.7945
13	S	A	-0.0785
14	G	A	-0.5765
15	D	A	-1.0885
16	S	A	-0.7347
17	C	A	-0.5363
18	C	A	-0.8303
19	K	A	-1.6881
20	P	A	-1.3862
21	Y	A	-0.5478
22	L	A	0.8932
23	C	A	0.6604
24	S	A	0.0000
25	C	A	2.3626
26	I	A	3.2658
27	F	A	3.8794
28	F	A	3.7964
29	Y	A	3.1367
30	P	A	1.6586
31	C	A	1.2691
32	S	A	0.0000
33	C	A	0.0000
34	R	A	-0.3558
35	P	A	-0.9912
36	K	A	-1.6298
37	G	A	-0.5389
38	W	A	0.5791