Project name: query_structure

Chain sequence(s)	A: ETCTLGTCYTVGCTCSWPICTRNGLPICG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.1937
• Maximal score value: 1.8573
• Average score: 0.6804
• Total score value: 19.7312

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	E	A	0.0554
2	T	A	0.4752
3	C	A	0.0000
4	T	A	0.9459
5	L	A	1.5687
6	G	A	0.7272
7	T	A	0.8349
8	C	A	1.1536
9	Y	A	1.6532
10	T	A	1.1679
11	V	A	1.8243
12	G	A	0.2730
13	C	A	0.5779
14	T	A	0.1928
15	C	A	0.9508
16	S	A	0.8004
17	W	A	1.5540
18	P	A	1.0915
19	I	A	1.4179
20	C	A	0.0000
21	T	A	0.0000
22	R	A	-0.3204
23	N	A	-1.1937
24	G	A	-0.3113
25	L	A	1.3002
26	P	A	1.0043
27	I	A	1.8573
28	C	A	0.0000
29	G	A	0.1302