Project name: query_structure

Chain sequence(s)	A: ESCIFFPCFNPGCSCKDNLCYYNGNIPCG
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -2.4177
• Maximal score value: 3.5531
• Average score: 0.1161
• Total score value: 3.3671

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	E	A	-0.1108
2	S	A	0.4631
3	C	A	1.6998
4	I	A	2.5555
5	F	A	3.5531
6	F	A	3.4666
7	P	A	1.8866
8	C	A	1.5099
9	F	A	1.5689
10	N	A	-0.2194
11	P	A	-0.2947
12	G	A	-0.5894
13	C	A	-0.0848
14	S	A	-0.5511
15	C	A	-0.2203
16	K	A	-2.0084
17	D	A	-2.4177
18	N	A	-1.1330
19	L	A	-0.8677
20	C	A	0.0000
21	Y	A	-0.6316
22	Y	A	-0.0883
23	N	A	-1.2925
24	G	A	-1.2204
25	N	A	-1.2526
26	I	A	0.2956
27	P	A	-0.1183
28	C	A	-0.0390
29	G	A	-0.4920