Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVYIPCITSIVGCSCKSKVCYKN
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                                          (00:00:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -1.3886
• Maximal score value: 3.0118
• Average score: 0.5651
• Total score value: 17.5166

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	-0.3489
2	S	A	-0.1275
3	I	A	1.2316
4	P	A	0.3419
5	C	A	0.4400
6	G	A	-0.0845
7	E	A	0.1230
8	S	A	0.5267
9	C	A	1.1570
10	V	A	2.0410
11	Y	A	2.2177
12	I	A	1.8286
13	P	A	1.1634
14	C	A	0.0000
15	I	A	2.5579
16	T	A	1.9093
17	S	A	1.7764
18	I	A	3.0118
19	V	A	2.4616
20	G	A	0.6440
21	C	A	0.0000
22	S	A	-0.0862
23	C	A	-0.0131
24	K	A	-0.9312
25	S	A	-0.8636
26	K	A	-0.8117
27	V	A	-0.3390
28	C	A	0.0000
29	Y	A	-0.3123
30	K	A	-0.6087
31	N	A	-1.3886