Project name: query_structure

Chain sequence(s)	A: DCLKFGWKCNPRNDKCCSGLKCGSNHNWCKLHL
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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.5061
• Maximal score value: 1.6641
• Average score: -1.2385
• Total score value: -40.8704

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	D	A	-1.9553
2	C	A	-1.0487
3	L	A	-0.8399
4	K	A	-0.0429
5	F	A	1.6641
6	G	A	0.6782
7	W	A	0.2032
8	K	A	-1.7097
9	C	A	-2.6435
10	N	A	-3.0640
11	P	A	-3.2817
12	R	A	-3.3233
13	N	A	-3.4599
14	D	A	-3.5061
15	K	A	-3.4396
16	C	A	-1.7271
17	C	A	-0.7456
18	S	A	-0.6990
19	G	A	-0.2931
20	L	A	-0.3715
21	K	A	-1.3642
22	C	A	0.0000
23	G	A	-2.0919
24	S	A	-2.0021
25	N	A	-1.9419
26	H	A	-2.2811
27	N	A	-2.3629
28	W	A	-1.1572
29	C	A	0.0000
30	K	A	-0.1282
31	L	A	1.0595
32	H	A	-0.1481
33	L	A	1.1531