Project name: query_structure

Chain sequence(s)	A: CSCKNKVCYNGIPCAESCVYIPCTITALLG
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.5903
• Maximal score value: 2.5614
• Average score: 0.5305
• Total score value: 15.9152

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	1.0499
2	S	A	0.1096
3	C	A	-0.8877
4	K	A	-2.2929
5	N	A	-2.5903
6	K	A	-2.1338
7	V	A	-0.6223
8	C	A	0.1983
9	Y	A	0.9321
10	N	A	-0.3183
11	G	A	-0.1981
12	I	A	0.5551
13	P	A	-0.4846
14	C	A	0.4776
15	A	A	0.0363
16	E	A	-0.8706
17	S	A	0.3531
18	C	A	1.2422
19	V	A	2.3303
20	Y	A	2.3235
21	I	A	2.2333
22	P	A	1.2608
23	C	A	0.7230
24	T	A	1.2948
25	I	A	2.1322
26	T	A	1.7425
27	A	A	1.4341
28	L	A	2.5614
29	L	A	2.4031
30	G	A	0.9206