Project name: query_structure

Chain sequence(s)	A: GLPICGETCFTGKCYTPGCTCSYPICKKN
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.404
• Maximal score value: 1.8653
• Average score: -0.0858
• Total score value: -2.4894

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	G	A	0.3209
2	L	A	1.0965
3	P	A	-0.2193
4	I	A	0.0626
5	C	A	-0.4793
6	G	A	-0.5005
7	E	A	-0.2839
8	T	A	0.4759
9	C	A	0.0000
10	F	A	1.8653
11	T	A	0.5678
12	G	A	0.0565
13	K	A	-0.7775
14	C	A	-0.0624
15	Y	A	0.8213
16	T	A	-0.1539
17	P	A	-0.4704
18	G	A	-1.3073
19	C	A	-1.4237
20	T	A	-0.7167
21	C	A	0.4333
22	S	A	0.5799
23	Y	A	1.6517
24	P	A	1.2310
25	I	A	0.6769
26	C	A	0.0000
27	K	A	-1.2256
28	K	A	-2.4040
29	N	A	-2.3045