Project name: query_structure

Chain sequence(s)	A: SWPICKRNGLPVCGETCTLGTCSTQGCTC
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.3259
• Maximal score value: 1.6687
• Average score: -0.1806
• Total score value: -5.2363

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	S	A	0.7853
2	W	A	1.6687
3	P	A	1.3296
4	I	A	1.5983
5	C	A	0.0000
6	K	A	-0.7664
7	R	A	-2.3259
8	N	A	-1.9000
9	G	A	-0.9594
10	L	A	0.3954
11	P	A	0.4010
12	V	A	0.9120
13	C	A	-0.3314
14	G	A	-0.5689
15	E	A	-1.2507
16	T	A	0.0109
17	C	A	0.0000
18	T	A	0.7932
19	L	A	1.3936
20	G	A	0.4741
21	T	A	0.3313
22	C	A	0.0000
23	S	A	-0.7244
24	T	A	-1.2465
25	Q	A	-1.6382
26	G	A	-1.6173
27	C	A	-1.6024
28	T	A	-0.7919
29	C	A	0.3937