Project name: query_structure

Chain sequence(s)	A: DCAKEGEVCSWGKKCCDLDNFYCPMEFIPHCKKYKPYVPVTT
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -4.1035
• Maximal score value: 2.4624
• Average score: -0.8276
• Total score value: -34.7593

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	-2.3153
2	C	A	-2.4636
3	A	A	0.0000
4	K	A	-3.8976
5	E	A	-4.1035
6	G	A	-3.0066
7	E	A	-3.0583
8	V	A	-1.2235
9	C	A	0.0000
10	S	A	-0.4353
11	W	A	0.7759
12	G	A	-0.7032
13	K	A	-2.8039
14	K	A	-2.7859
15	C	A	0.0000
16	C	A	-2.0483
17	D	A	-2.5143
18	L	A	-1.0858
19	D	A	-2.1261
20	N	A	-2.3220
21	F	A	-2.0906
22	Y	A	-0.7688
23	C	A	-0.6033
24	P	A	0.3141
25	M	A	0.7572
26	E	A	-0.0584
27	F	A	1.9355
28	I	A	1.6658
29	P	A	0.0000
30	H	A	-1.7197
31	C	A	0.0000
32	K	A	-2.8845
33	K	A	-2.7989
34	Y	A	-0.7747
35	K	A	-1.3298
36	P	A	0.4635
37	Y	A	1.9129
38	V	A	2.4624
39	P	A	1.7236
40	V	A	2.1413
41	T	A	0.7055
42	T	A	0.3049