Project name: query_structure

Chain sequence(s)	A: LCNEPCSSNSDCIGITLCQFCKEKTDQYGLTYRTCNLLP
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.2712
• Maximal score value: 2.6489
• Average score: -0.2777
• Total score value: -10.8297

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	L	A	1.4725
2	C	A	0.9118
3	N	A	-1.1702
4	E	A	-1.8318
5	P	A	-1.9073
6	C	A	-1.8452
7	S	A	-1.4737
8	S	A	-1.4009
9	N	A	-1.5658
10	S	A	-0.6147
11	D	A	-0.8305
12	C	A	0.0000
13	I	A	1.6116
14	G	A	1.4037
15	I	A	2.6489
16	T	A	2.2083
17	L	A	2.6151
18	C	A	0.0000
19	Q	A	0.6345
20	F	A	0.5243
21	C	A	-1.6399
22	K	A	-2.2525
23	E	A	-3.2712
24	K	A	-2.2148
25	T	A	-0.9166
26	D	A	-0.6067
27	Q	A	-0.7375
28	Y	A	0.7729
29	G	A	0.3097
30	L	A	1.1180
31	T	A	-0.3549
32	Y	A	-1.0922
33	R	A	-2.9300
34	T	A	-2.6386
35	C	A	0.0000
36	N	A	-0.2247
37	L	A	2.1305
38	L	A	2.0239
39	P	A	0.3043