Project name: query_structure

Chain sequence(s)	A: CKSPGSSCSPTSYNCCRSCNPYTKRCY
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.7975
• Maximal score value: 0.4798
• Average score: -0.8109
• Total score value: -21.8955

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	C	A	0.0553
2	K	A	-1.1287
3	S	A	-0.9790
4	P	A	-0.9452
5	G	A	-1.5010
6	S	A	-1.5420
7	S	A	-1.8967
8	C	A	0.0000
9	S	A	-1.1971
10	P	A	-0.7774
11	T	A	-0.3407
12	S	A	-0.2347
13	Y	A	-0.3666
14	N	A	-1.2279
15	C	A	-0.9292
16	C	A	-0.1593
17	R	A	-1.5054
18	S	A	-0.8801
19	C	A	0.0000
20	N	A	-0.7593
21	P	A	-0.1607
22	Y	A	0.4798
23	T	A	-0.7959
24	K	A	-2.1702
25	R	A	-2.7975
26	C	A	0.0000
27	Y	A	-0.1360