Project name: query_structure

Chain sequence(s)	A: RVCPRRILLECKKDSDCLAECVCLEHGYYCG; B: RVCPRILLECKKDSDCLAECVCLEHGYYCG
Selected Chain(s)	A,B
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 all 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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -4.0011
• Maximal score value: 1.8971
• Average score: -1.1753
• Total score value: -68.1692

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	R	A	-2.2292
2	V	A	-1.3209
3	C	A	-0.6517
4	P	A	-0.5027
5	R	A	-0.8035
6	I	A	1.0743
7	L	A	1.5908
8	L	A	0.4187
9	E	A	-1.7615
10	C	A	0.0000
11	K	A	-3.8074
12	K	A	-4.0011
13	D	A	-3.1069
14	S	A	-2.4293
15	D	A	-2.8621
16	C	A	-1.2580
17	L	A	0.0709
18	A	A	-0.7850
19	E	A	-1.6726
20	C	A	0.0000
21	V	A	-0.5683
22	C	A	-1.9400
23	L	A	-1.3454
24	E	A	-2.3380
25	H	A	-1.9764
26	G	A	-1.8617
27	Y	A	-0.8277
28	C	A	-0.7727
29	G	A	0.0813
1	R	B	-2.2162
2	V	B	-1.2630
3	C	B	-0.4483
4	P	B	-0.2523
5	R	B	-0.3726
6	I	B	1.8410
7	L	B	1.8971
8	L	B	0.4998
9	E	B	-1.7824
10	C	B	0.0000
11	K	B	-3.7089
12	K	B	-3.7847
13	D	B	-3.0259
14	S	B	-2.4216
15	D	B	-3.0839
16	C	B	-1.2012
17	L	B	0.1397
18	A	B	-0.5714
19	E	B	-1.2057
20	C	B	0.0000
21	V	B	-0.7165
22	C	B	-1.8970
23	L	B	-1.2308
24	E	B	-2.0865
25	H	B	-2.0254
26	G	B	-1.8982
27	Y	B	-0.8686
28	C	B	-0.7632
29	G	B	-0.1364