Project name: query_structure

Chain sequence(s)	A: CSNKVCYNGIPCAESCVWIPCTVTALIGCG
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.                                          (00:00:08)

• Minimal score value: -1.6229
• Maximal score value: 3.0787
• Average score: 1.1548
• Total score value: 34.644

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	1.1717
2	S	A	-0.5985
3	N	A	-1.6229
4	K	A	-1.3603
5	V	A	0.9719
6	C	A	1.3717
7	Y	A	1.3995
8	N	A	-0.2353
9	G	A	0.3742
10	I	A	1.8316
11	P	A	0.8569
12	C	A	1.3643
13	A	A	-0.1117
14	E	A	-1.2874
15	S	A	0.5758
16	C	A	1.7049
17	V	A	2.9262
18	W	A	3.0787
19	I	A	3.0273
20	P	A	1.7456
21	C	A	1.2913
22	T	A	1.4938
23	V	A	2.3880
24	T	A	2.0266
25	A	A	1.6953
26	L	A	2.7717
27	I	A	2.8116
28	G	A	1.1839
29	C	A	1.3566
30	G	A	0.4410