Project name: query_structure

Chain sequence(s)	A: ILPPSSTSCGPLITATNMSNMCGTHAACCACCLSGICENMSPCLAAGEE
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -2.9293
• Maximal score value: 2.6832
• Average score: -0.0978
• Total score value: -4.7936

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	I	A	2.6832
2	L	A	2.2991
3	P	A	0.7815
4	P	A	0.0940
5	S	A	-0.3837
6	S	A	-0.7903
7	T	A	-0.5380
8	S	A	-0.5794
9	C	A	0.2822
10	G	A	0.0545
11	P	A	0.6390
12	L	A	1.1630
13	I	A	2.0556
14	T	A	0.8008
15	A	A	0.3583
16	T	A	-0.4228
17	N	A	-0.9633
18	M	A	-0.3430
19	S	A	-0.9152
20	N	A	-1.8138
21	M	A	-1.0573
22	C	A	-0.7089
23	G	A	-0.9752
24	T	A	-0.6894
25	H	A	-0.9632
26	A	A	-0.2649
27	A	A	-0.2893
28	C	A	0.0000
29	C	A	0.0000
30	A	A	0.8347
31	C	A	0.9010
32	C	A	0.0000
33	L	A	1.7652
34	S	A	0.8678
35	G	A	0.5556
36	I	A	1.6663
37	C	A	0.2281
38	E	A	-1.4545
39	N	A	-0.8621
40	M	A	0.0000
41	S	A	-0.3241
42	P	A	-0.2481
43	C	A	0.0000
44	L	A	0.2407
45	A	A	-0.1235
46	A	A	-0.8539
47	G	A	-1.7192
48	E	A	-2.8518
49	E	A	-2.9293