Project name: query_structure

Chain sequence(s)	A: CGETCTLGTCYTAGCSCSWPVCTRNGVPI
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.3492
• Maximal score value: 1.7614
• Average score: 0.48
• Total score value: 13.9193

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	0.8668
2	G	A	0.0890
3	E	A	0.1277
4	T	A	0.5090
5	C	A	0.0000
6	T	A	0.9528
7	L	A	1.5183
8	G	A	0.7775
9	T	A	0.7765
10	C	A	0.9496
11	Y	A	1.2302
12	T	A	0.3427
13	A	A	0.0942
14	G	A	-0.6084
15	C	A	-0.0461
16	S	A	-0.0695
17	C	A	0.7610
18	S	A	0.6643
19	W	A	1.5406
20	P	A	1.1878
21	V	A	1.3768
22	C	A	0.0000
23	T	A	0.2014
24	R	A	-0.7938
25	N	A	-1.3492
26	G	A	-0.6224
27	V	A	0.8219
28	P	A	0.8592
29	I	A	1.7614