Project name: query_structure

Chain sequence(s)	A: IPCGESCVWIPCISSAIGCSCKSKVCYRNG; B: IPCGESCVWLPCISSAIGCSCKSKVCYRNG
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -2.1359
• Maximal score value: 2.4609
• Average score: 0.2275
• Total score value: 13.6472

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	0.9310
2	P	A	0.0923
3	C	A	0.1858
4	G	A	-0.2985
5	E	A	-0.3168
6	S	A	0.0710
7	C	A	0.7784
8	V	A	1.1488
9	W	A	2.0909
10	I	A	2.4609
11	P	A	1.0541
12	C	A	0.0000
13	I	A	2.4486
14	S	A	1.3349
15	S	A	1.4977
16	A	A	1.7474
17	I	A	2.3416
18	G	A	1.2140
19	C	A	0.0000
20	S	A	0.0000
21	C	A	-0.5411
22	K	A	-1.6187
23	S	A	-1.2357
24	K	A	-1.3263
25	V	A	-0.5053
26	C	A	0.0000
27	Y	A	-0.6548
28	R	A	-0.9617
29	N	A	-1.4778
30	G	A	-0.6211
1	I	B	0.9672
2	P	B	0.0000
3	C	B	0.0588
4	G	B	-0.2230
5	E	B	-0.2637
6	S	B	0.3419
7	C	B	0.0000
8	V	B	1.8501
9	W	B	2.3256
10	L	B	2.2846
11	P	B	1.2393
12	C	B	0.0000
13	I	B	2.2600
14	S	B	1.1488
15	S	B	0.8379
16	A	B	1.3474
17	I	B	1.8605
18	G	B	0.2570
19	C	B	0.0000
20	S	B	-0.7502
21	C	B	-0.6245
22	K	B	-2.1359
23	S	B	-1.4363
24	K	B	-1.3238
25	V	B	-0.6619
26	C	B	0.0000
27	Y	B	-1.1073
28	R	B	-1.7766
29	N	B	-1.7882
30	G	B	-0.8801