Project name: query_structure

Chain sequence(s)	A: DTIPCGESCVWIPCISSILGCSCKDKVCYHN
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.5827
• Maximal score value: 3.0491
• Average score: 0.2066
• Total score value: 6.4046

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	D	A	-2.0627
2	T	A	-0.3889
3	I	A	0.9919
4	P	A	0.1276
5	C	A	0.3505
6	G	A	-0.2672
7	E	A	0.0778
8	S	A	0.2195
9	C	A	0.7705
10	V	A	1.6770
11	W	A	2.0026
12	I	A	1.5947
13	P	A	1.0560
14	C	A	0.0000
15	I	A	2.5684
16	S	A	1.9691
17	S	A	1.8483
18	I	A	3.0491
19	L	A	2.4453
20	G	A	0.8547
21	C	A	0.0000
22	S	A	-0.5779
23	C	A	-0.8492
24	K	A	-2.2989
25	D	A	-2.5827
26	K	A	-1.6665
27	V	A	-0.8947
28	C	A	0.0000
29	Y	A	-1.0253
30	H	A	-0.8814
31	N	A	-1.7030