Project name: query_structure

Chain sequence(s)	A: GIPCAESCVYIPCITAALGCSCKNKVCYRN
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.4365
• Maximal score value: 2.4318
• Average score: 0.1561
• Total score value: 4.6834

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	-0.5981
2	I	A	1.0444
3	P	A	0.2491
4	C	A	0.6674
5	A	A	0.1721
6	E	A	0.4091
7	S	A	0.2832
8	C	A	0.7445
9	V	A	1.1930
10	Y	A	2.1465
11	I	A	2.4318
12	P	A	1.4921
13	C	A	0.0000
14	I	A	2.3978
15	T	A	1.3772
16	A	A	1.0197
17	A	A	1.1825
18	L	A	1.5512
19	G	A	0.1128
20	C	A	0.0000
21	S	A	-0.7919
22	C	A	-0.8784
23	K	A	-2.4365
24	N	A	-2.3972
25	K	A	-1.8053
26	V	A	-1.0848
27	C	A	0.0000
28	Y	A	-0.8605
29	R	A	-1.2362
30	N	A	-1.7021