Project name: query_structure

Chain sequence(s)	A: GFPCGESCVYLPCFTAAIGCSCKSKVCYKN; B: GFPCGESCVYIPCFTAAIGCSSCKSKVCYKN
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -2.0053
• Maximal score value: 3.0014
• Average score: 0.2404
• Total score value: 14.4224

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	G	A	-0.6880
2	F	A	0.9658
3	P	A	0.0208
4	C	A	0.2961
5	G	A	-0.7519
6	E	A	-0.5601
7	S	A	0.0404
8	C	A	0.0000
9	V	A	2.0514
10	Y	A	2.5679
11	L	A	2.6780
12	P	A	1.4801
13	C	A	0.0000
14	F	A	2.2524
15	T	A	1.2648
16	A	A	1.1238
17	A	A	1.4281
18	I	A	1.9440
19	G	A	0.3272
20	C	A	0.0000
21	S	A	-0.4600
22	C	A	-0.4761
23	K	A	-1.9181
24	S	A	-1.3076
25	K	A	-1.1260
26	V	A	-0.5523
27	C	A	0.0000
28	Y	A	-0.7684
29	K	A	-1.2095
30	N	A	-1.5462
1	G	B	-0.6723
2	F	B	0.9915
3	P	B	0.0796
4	C	B	0.3200
5	G	B	-0.3436
6	E	B	-0.3467
7	S	B	0.0233
8	C	B	0.0000
9	V	B	1.6659
10	Y	B	2.5689
11	I	B	3.0014
12	P	B	1.6179
13	C	B	0.0000
14	F	B	2.3374
15	T	B	1.2883
16	A	B	1.1510
17	A	B	1.4329
18	I	B	1.9739
19	G	B	0.3849
20	C	B	0.0000
21	S	B	-0.6864
22	C	B	-0.5571
23	K	B	-2.0053
24	S	B	-1.4008
25	K	B	-1.2631
26	V	B	-0.6420
27	C	B	0.0000
28	Y	B	-0.7837
29	K	B	-1.2174
30	N	B	-1.5727