Project name: query_structure

Chain sequence(s)	A: KIPCGESCVYIPCISSVLGCSCSNKVCYKD
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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.4664
• Maximal score value: 2.758
• Average score: 0.2906
• Total score value: 8.7176

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	-1.6861
2	I	A	0.3979
3	P	A	-0.0175
4	C	A	0.1659
5	G	A	-0.3005
6	E	A	0.0937
7	S	A	0.3271
8	C	A	0.8897
9	V	A	1.1661
10	Y	A	2.0707
11	I	A	2.2240
12	P	A	1.3439
13	C	A	0.0000
14	I	A	2.6704
15	S	A	1.8088
16	S	A	1.6372
17	V	A	2.7580
18	L	A	2.3130
19	G	A	0.4588
20	C	A	0.0000
21	S	A	-0.3828
22	C	A	-0.0400
23	S	A	-0.8888
24	N	A	-1.6484
25	K	A	-1.3313
26	V	A	-0.6158
27	C	A	0.0000
28	Y	A	-0.8670
29	K	A	-1.3630
30	D	A	-2.4664