Project name: query_structure

Chain sequence(s)	A: GYCAEKGIKCHNIHCCSGLTCKCKGSSCVCRK
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.0392
• Maximal score value: 1.0178
• Average score: -1.1748
• Total score value: -37.5934

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	0.2990
2	Y	A	1.0178
3	C	A	0.4915
4	A	A	0.0000
5	E	A	-2.5168
6	K	A	-3.0392
7	G	A	-1.5943
8	I	A	-0.8411
9	K	A	-1.9852
10	C	A	0.0000
11	H	A	-1.7802
12	N	A	-1.8747
13	I	A	-0.7971
14	H	A	-1.2346
15	C	A	0.0000
16	C	A	-0.5920
17	S	A	-0.9896
18	G	A	-1.4701
19	L	A	-2.0388
20	T	A	-1.5670
21	C	A	-1.5286
22	K	A	-1.8456
23	C	A	-1.1862
24	K	A	-1.8828
25	G	A	-1.3792
26	S	A	-0.7943
27	S	A	-0.9260
28	C	A	-0.8280
29	V	A	-1.2989
30	C	A	0.0000
31	R	A	-2.7006
32	K	A	-2.7108