Project name: query_structure

Chain sequence(s)	A: CSCKSKVCYRNGIPCAESCVYIPCLTSAIG
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.6333
• Maximal score value: 2.222
• Average score: 0.3984
• Total score value: 11.9524

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	-0.0702
2	S	A	-0.4475
3	C	A	-0.3434
4	K	A	-1.5925
5	S	A	-1.2263
6	K	A	-1.1309
7	V	A	-0.1766
8	C	A	0.0000
9	Y	A	-0.4047
10	R	A	-1.5064
11	N	A	-1.6333
12	G	A	-0.7535
13	I	A	0.8774
14	P	A	0.2862
15	C	A	0.3867
16	A	A	0.3631
17	E	A	0.7409
18	S	A	0.7198
19	C	A	0.9198
20	V	A	1.3812
21	Y	A	1.9034
22	I	A	1.8687
23	P	A	1.3518
24	C	A	1.7724
25	L	A	2.2220
26	T	A	1.2674
27	S	A	0.7861
28	A	A	1.4592
29	I	A	2.1996
30	G	A	0.7320