Project name: query_structure

Chain sequence(s)	A: CASKNERCGNALYGTKGPGCCNGKCICRTVPRKGVNSCRCM
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: -2.7242
• Maximal score value: 1.4967
• Average score: -0.9632
• Total score value: -39.492

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	0.0529
2	A	A	0.0000
3	S	A	-1.6413
4	K	A	-2.5995
5	N	A	-2.1258
6	E	A	-2.4512
7	R	A	-2.7242
8	C	A	0.0000
9	G	A	-1.4144
10	N	A	-0.2112
11	A	A	0.2659
12	L	A	1.4967
13	Y	A	0.4983
14	G	A	-0.2574
15	T	A	-0.8874
16	K	A	-1.9384
17	G	A	-1.8530
18	P	A	-1.1224
19	G	A	-1.2130
20	C	A	-1.1918
21	C	A	-0.4480
22	N	A	-1.5709
23	G	A	-1.7168
24	K	A	-1.8580
25	C	A	-1.2684
26	I	A	-0.4733
27	C	A	0.0000
28	R	A	-1.5231
29	T	A	-0.9571
30	V	A	-0.7903
31	P	A	-1.1502
32	R	A	-2.3589
33	K	A	-2.1826
34	G	A	0.0000
35	V	A	0.4134
36	N	A	-0.5776
37	S	A	-1.0530
38	C	A	0.0000
39	R	A	-2.0752
40	C	A	0.0000
41	M	A	-0.5848