Project name: query_structure

Chain sequence(s)	A: CAESCVYIPCTVTALLGCSCSNRVCYNGIP
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -1.7439
• Maximal score value: 2.7004
• Average score: 0.7428
• Total score value: 22.2854

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	0.9439
2	A	A	0.5316
3	E	A	0.4006
4	S	A	0.3162
5	C	A	0.0000
6	V	A	1.1760
7	Y	A	2.3926
8	I	A	2.6162
9	P	A	1.2501
10	C	A	1.4609
11	T	A	1.5003
12	V	A	2.4439
13	T	A	0.0000
14	A	A	1.7337
15	L	A	2.7004
16	L	A	2.3883
17	G	A	0.9282
18	C	A	0.0000
19	S	A	-0.1264
20	C	A	0.2143
21	S	A	-0.7898
22	N	A	-1.7439
23	R	A	-1.2690
24	V	A	-0.1238
25	C	A	0.0000
26	Y	A	0.6748
27	N	A	0.0952
28	G	A	0.1837
29	I	A	1.6123
30	P	A	0.7751