Project name: query_structure

Chain sequence(s)	A: KCYTAGCSCSWPVCYRNGLPVCGETCTLG
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -1.4172
• Maximal score value: 1.3713
• Average score: 0.2
• Total score value: 5.8011

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	-0.8453
2	C	A	0.2217
3	Y	A	0.8221
4	T	A	0.2999
5	A	A	-0.1108
6	G	A	-0.4913
7	C	A	-0.4324
8	S	A	-0.1071
9	C	A	0.5529
10	S	A	0.6710
11	W	A	1.3713
12	P	A	1.0383
13	V	A	1.0906
14	C	A	0.0000
15	Y	A	0.4764
16	R	A	-0.8358
17	N	A	-1.4172
18	G	A	-0.5761
19	L	A	0.7413
20	P	A	0.5635
21	V	A	0.4684
22	C	A	0.7676
23	G	A	-0.1969
24	E	A	-0.0687
25	T	A	0.4405
26	C	A	0.0000
27	T	A	0.4518
28	L	A	1.0582
29	G	A	-0.1528