Project name: query_structure

Chain sequence(s)	A: GIIPCGESCVFIPCITSIVGCSCKSKVCYKN
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -1.757
• Maximal score value: 2.9998
• Average score: 0.7221
• Total score value: 22.3863

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	0.2197
2	I	A	2.2435
3	I	A	2.2561
4	P	A	0.7022
5	C	A	0.6300
6	G	A	-0.0868
7	E	A	0.1109
8	S	A	0.5683
9	C	A	1.2472
10	V	A	2.2947
11	F	A	2.8761
12	I	A	2.2107
13	P	A	1.3370
14	C	A	0.0000
15	I	A	2.5553
16	T	A	1.9030
17	S	A	1.7384
18	I	A	2.9998
19	V	A	2.4856
20	G	A	0.6465
21	C	A	0.0000
22	S	A	-0.3965
23	C	A	-0.4223
24	K	A	-1.7570
25	S	A	-1.2159
26	K	A	-0.9415
27	V	A	-0.6209
28	C	A	0.0000
29	Y	A	-0.1476
30	K	A	-0.1798
31	N	A	-0.8704