Project name: query_structure

Chain sequence(s)	A: DCYCRIPACIAGERRYGTCIYQGRLWAFCC; B: DCYCRIPACIAGERRYGTCIYQGRLWAFCC
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.                                          (00:00:26)

• Minimal score value: -2.2754
• Maximal score value: 2.2757
• Average score: -0.0783
• Total score value: -4.6952

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
2	D	A	-1.4602
3	C	A	-0.5554
4	Y	A	0.0202
5	C	A	0.7186
6	R	A	0.6074
7	I	A	0.9697
8	P	A	0.6996
9	A	A	0.2021
10	C	A	0.3466
11	I	A	1.4368
12	A	A	0.4671
13	G	A	-0.3949
14	E	A	-1.0795
15	R	A	-2.2754
16	R	A	-1.9625
17	Y	A	-0.5385
18	G	A	-0.5466
19	T	A	0.8190
20	C	A	0.0000
21	I	A	1.1336
22	Y	A	-0.0705
23	Q	A	-1.1856
24	G	A	-1.1627
25	R	A	-1.1724
26	L	A	0.9547
27	W	A	0.6195
28	A	A	0.0000
29	F	A	0.0000
30	C	A	0.0000
31	C	A	-0.6647
2	D	B	-1.5644
3	C	B	-0.6984
4	Y	B	0.0598
5	C	B	0.5587
6	R	B	1.0848
7	I	B	2.2757
8	P	B	1.4003
9	A	B	0.6139
10	C	B	0.5970
11	I	B	1.6589
12	A	B	0.5035
13	G	B	-0.3700
14	E	B	-0.9720
15	R	B	-2.1394
16	R	B	-1.7860
17	Y	B	-0.0985
18	G	B	0.0990
19	T	B	0.9340
20	C	B	0.0000
21	I	B	0.6827
22	Y	B	-0.4049
23	Q	B	-1.3940
24	G	B	-1.3672
25	R	B	-1.3958
26	L	B	0.9374
27	W	B	0.9421
28	A	B	0.0000
29	F	B	0.0000
30	C	B	0.0000
31	C	B	-0.7784