Project name: query_structure

Chain sequence(s)	A: CAESCVWIPCTVTALLGCSCSNKVCYNGIP
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                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:04)

• Minimal score value: -1.6066
• Maximal score value: 2.5834
• Average score: 0.6759
• Total score value: 20.2761

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	C	A	0.0000
2	A	A	0.5320
3	E	A	0.4302
4	S	A	0.2339
5	C	A	0.0000
6	V	A	1.0304
7	W	A	2.2033
8	I	A	2.4535
9	P	A	1.1881
10	C	A	1.1664
11	T	A	1.5399
12	V	A	2.3186
13	T	A	1.7462
14	A	A	1.5552
15	L	A	2.5834
16	L	A	2.2781
17	G	A	1.0232
18	C	A	0.0000
19	S	A	-0.1422
20	C	A	-0.2796
21	S	A	-0.8069
22	N	A	-1.6066
23	K	A	-1.2097
24	V	A	-0.1552
25	C	A	0.0000
26	Y	A	0.5113
27	N	A	-0.2598
28	G	A	-0.0325
29	I	A	1.3076
30	P	A	0.6673