Project name: query_structure

Chain sequence(s)	A: GTCSTLGCTCKPLRCKAPRMVRCGETCGG
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.1669
• Maximal score value: 1.4626
• Average score: -0.7207
• Total score value: -20.8994

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	-0.7246
2	T	A	-0.4216
3	C	A	-0.6617
4	S	A	-0.0496
5	T	A	0.4650
6	L	A	1.4626
7	G	A	0.2984
8	C	A	0.0195
9	T	A	-0.8531
10	C	A	-0.9965
11	K	A	-1.6239
12	P	A	-0.6633
13	L	A	-0.0808
14	R	A	-2.0307
15	C	A	-1.6916
16	K	A	-2.1669
17	A	A	-0.9843
18	P	A	-0.9390
19	R	A	-1.4952
20	M	A	0.4899
21	V	A	0.7190
22	R	A	-1.2215
23	C	A	-1.0576
24	G	A	-1.2916
25	E	A	-1.9534
26	T	A	-1.0409
27	C	A	-0.9530
28	G	A	-0.9251
29	G	A	-0.5279