Project name: query_structure

Chain sequence(s)	A: ECYTPGCTCSWPICTKNGSAILCGESCTLG
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.8803
• Maximal score value: 1.9088
• Average score: 0.0849
• Total score value: 2.5472

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	-1.2504
2	C	A	-0.3312
3	Y	A	0.7802
4	T	A	0.3256
5	P	A	-0.1924
6	G	A	-0.8700
7	C	A	0.0000
8	T	A	-0.2388
9	C	A	0.5801
10	S	A	0.7498
11	W	A	1.3473
12	P	A	1.4240
13	I	A	1.9088
14	C	A	0.0000
15	T	A	-0.1953
16	K	A	-1.3901
17	N	A	-1.8803
18	G	A	-1.3131
19	S	A	-0.7683
20	A	A	0.3330
21	I	A	1.3354
22	L	A	1.9042
23	C	A	0.7008
24	G	A	-0.6338
25	E	A	-1.5729
26	S	A	-0.0777
27	C	A	0.2230
28	T	A	0.2928
29	L	A	1.0594
30	G	A	0.2971