Project name: query_structure

Chain sequence(s)	A: ETCLLGTCYTPGCTCKRPVCYKNGHPTCG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.1705
• Maximal score value: 1.9194
• Average score: -0.4762
• Total score value: -13.8086

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	E	A	-0.0665
2	T	A	0.1411
3	C	A	0.0000
4	L	A	1.5076
5	L	A	1.9194
6	G	A	0.3361
7	T	A	0.6217
8	C	A	0.7070
9	Y	A	1.1317
10	T	A	0.2080
11	P	A	-0.2005
12	G	A	-0.6926
13	C	A	-0.7454
14	T	A	-0.8625
15	C	A	-0.4631
16	K	A	-2.0774
17	R	A	-1.8074
18	P	A	-0.7671
19	V	A	-0.4444
20	C	A	0.0000
21	Y	A	-1.4901
22	K	A	-2.0123
23	N	A	-2.1705
24	G	A	-1.9142
25	H	A	-1.8018
26	P	A	-1.2840
27	T	A	-1.0131
28	C	A	0.0000
29	G	A	-0.5683