Project name: query_structure

Chain sequence(s)	A: NGLPVCGETCVGGTCNTPGCSCSRPVCT
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.4894
• Maximal score value: 1.7217
• Average score: -0.1102
• Total score value: -3.087

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	N	A	-1.2043
2	G	A	-0.1395
3	L	A	1.2993
4	P	A	0.9453
5	V	A	1.7217
6	C	A	0.0000
7	G	A	0.1143
8	E	A	-0.3844
9	T	A	-0.0063
10	C	A	0.0000
11	V	A	1.2528
12	G	A	0.0183
13	G	A	-0.3314
14	T	A	-0.4096
15	C	A	-0.6602
16	N	A	-1.4894
17	T	A	-0.7634
18	P	A	-0.8003
19	G	A	-0.4764
20	C	A	-0.3240
21	S	A	-0.3438
22	C	A	-0.1487
23	S	A	-0.5334
24	R	A	-1.1875
25	P	A	-0.3025
26	V	A	0.7612
27	C	A	0.0000
28	T	A	0.3052