Project name: query_structure

Chain sequence(s)	A: GCKGFGDSCTPGKNECCPNYACSSKHKWCKVYL
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.7213
• Maximal score value: 2.345
• Average score: -0.5913
• Total score value: -19.5141

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	-0.4286
2	C	A	-0.4230
3	K	A	-0.7813
4	G	A	0.0894
5	F	A	1.2278
6	G	A	-0.0414
7	D	A	-0.5699
8	S	A	-0.7784
9	C	A	0.0000
10	T	A	-1.6586
11	P	A	-1.7987
12	G	A	-1.8136
13	K	A	-2.7213
14	N	A	-2.4779
15	E	A	-1.8423
16	C	A	0.0000
17	C	A	-0.4446
18	P	A	-0.8732
19	N	A	-0.5151
20	Y	A	0.5611
21	A	A	0.6939
22	C	A	-0.8218
23	S	A	-1.0712
24	S	A	-1.6937
25	K	A	-2.5238
26	H	A	-2.3001
27	K	A	-2.2836
28	W	A	-0.8628
29	C	A	0.0000
30	K	A	0.4297
31	V	A	1.7021
32	Y	A	2.1618
33	L	A	2.3450