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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.5263
• Maximal score value: 3.012
• Average score: 0.2188
• Total score value: 6.7832

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	-2.1039
2	T	A	-0.4031
3	I	A	1.0265
4	P	A	0.1462
5	C	A	0.3323
6	G	A	-0.2775
7	E	A	0.0651
8	S	A	0.2349
9	C	A	0.8227
10	V	A	1.7124
11	W	A	2.0306
12	I	A	1.5888
13	P	A	1.0469
14	C	A	0.0000
15	I	A	2.5595
16	S	A	1.8876
17	S	A	1.8139
18	I	A	3.0120
19	L	A	2.3990
20	G	A	0.7867
21	C	A	0.0000
22	S	A	-0.3470
23	C	A	-0.6452
24	K	A	-2.1249
25	D	A	-2.5263
26	K	A	-1.6834
27	V	A	-0.7768
28	C	A	0.0000
29	Y	A	-0.8989
30	H	A	-1.0227
31	N	A	-1.8722