Project name: query_structure

Chain sequence(s)	A: SCNNSCQSHSDCASHCICTFRGCGAVN
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.3189
• Maximal score value: 1.2786
• Average score: -0.7477
• Total score value: -20.1888

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	S	A	-0.7385
2	C	A	-0.9984
3	N	A	-2.3053
4	N	A	-2.3189
5	S	A	-1.6092
6	C	A	-1.5482
7	Q	A	-1.8075
8	S	A	-1.4265
9	H	A	-1.4301
10	S	A	-1.2906
11	D	A	-1.7838
12	C	A	-1.3539
13	A	A	-0.8708
14	S	A	-0.7814
15	H	A	-0.7322
16	C	A	0.0000
17	I	A	0.6145
18	C	A	0.1485
19	T	A	0.6309
20	F	A	1.1421
21	R	A	-1.3151
22	G	A	-1.1932
23	C	A	0.0000
24	G	A	-0.3458
25	A	A	0.2973
26	V	A	1.2786
27	N	A	-0.4513