Project name: query_structure

Chain sequence(s)	A: KCLPPGKPCYGATQKIPCCGVCSHNKCT
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: -2.1611
• Maximal score value: 1.569
• Average score: -0.3214
• Total score value: -9.0

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	K	A	-1.0492
2	C	A	0.4277
3	L	A	0.2445
4	P	A	-0.4175
5	P	A	-0.5386
6	G	A	-1.3828
7	K	A	-1.5538
8	P	A	-1.6573
9	C	A	0.0000
10	Y	A	0.3357
11	G	A	-0.3299
12	A	A	0.0064
13	T	A	-0.1914
14	Q	A	-0.6247
15	K	A	-1.1815
16	I	A	0.6431
17	P	A	0.5458
18	C	A	0.6923
19	C	A	1.1338
20	G	A	0.9015
21	V	A	1.5690
22	C	A	0.3025
23	S	A	-0.9812
24	H	A	-1.6906
25	N	A	-2.1003
26	K	A	-2.1611
27	C	A	0.0000
28	T	A	0.0576