Project name: query_structure

Chain sequence(s)	A: CKQADEPCDVFSLDCCTGICLGVCMW
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -2.0388
• Maximal score value: 2.6076
• Average score: 0.4221
• Total score value: 10.9739

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	0.8579
2	K	A	-0.8342
3	Q	A	-1.5754
4	A	A	-1.0148
5	D	A	-2.0388
6	E	A	-1.8089
7	P	A	-1.1480
8	C	A	-0.1582
9	D	A	-0.0542
10	V	A	1.7918
11	F	A	2.4130
12	S	A	1.4854
13	L	A	2.0923
14	D	A	0.0000
15	C	A	0.0000
16	C	A	0.9817
17	T	A	0.7487
18	G	A	1.3224
19	I	A	2.6076
20	C	A	0.0000
21	L	A	2.1202
22	G	A	0.3248
23	V	A	0.0912
24	C	A	0.0000
25	M	A	1.5062
26	W	A	1.2632