Project name: query_structure

Chain sequence(s)	A: CSNLSTCVLGKLSQELHKLQTYPRTNTGSGTP
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.1989
• Maximal score value: 1.7684
• Average score: -0.4673
• Total score value: -14.9546

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	0.5489
2	S	A	0.0228
3	N	A	-0.2209
4	L	A	1.4629
5	S	A	0.7079
6	T	A	0.8511
7	C	A	1.3409
8	V	A	1.3273
9	L	A	1.7684
10	G	A	0.4367
11	K	A	-0.5477
12	L	A	0.6375
13	S	A	-0.4475
14	Q	A	-1.8685
15	E	A	-1.4734
16	L	A	-0.3608
17	H	A	-1.7105
18	K	A	-1.5268
19	L	A	-0.4745
20	Q	A	-1.4656
21	T	A	-0.8585
22	Y	A	-0.4149
23	P	A	-1.1125
24	R	A	-2.1989
25	T	A	-1.4911
26	N	A	-2.1517
27	T	A	-1.5314
28	G	A	-1.1098
29	S	A	-0.9640
30	G	A	-1.0133
31	T	A	-0.6829
32	P	A	-0.4338