Project name: query_structure

Chain sequence(s)	A: SKECMTDGTVCYIHNHNDCCGSCLCSNGPIARPWEMMVGNCMCGPKA
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.6642
• Maximal score value: 1.3499
• Average score: -0.3865
• Total score value: -18.1655

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	S	A	-1.4257
2	K	A	-2.5786
3	E	A	-2.6642
4	C	A	-1.2246
5	M	A	-0.4286
6	T	A	-0.5833
7	D	A	-1.5478
8	G	A	-0.9757
9	T	A	-0.1134
10	V	A	0.8369
11	C	A	0.0000
12	Y	A	0.7226
13	I	A	0.9894
14	H	A	-0.7203
15	N	A	-1.7191
16	H	A	-1.9178
17	N	A	-1.4469
18	D	A	-2.0060
19	C	A	-0.8895
20	C	A	-0.7611
21	G	A	-0.7526
22	S	A	-0.4924
23	C	A	0.8958
24	L	A	1.3499
25	C	A	0.9834
26	S	A	-0.2613
27	N	A	-1.0652
28	G	A	-0.4265
29	P	A	-0.0755
30	I	A	1.0736
31	A	A	0.0335
32	R	A	-1.0297
33	P	A	0.2855
34	W	A	0.3674
35	E	A	-0.9744
36	M	A	0.7190
37	M	A	1.1410
38	V	A	0.3256
39	G	A	-0.1846
40	N	A	0.0736
41	C	A	1.1615
42	M	A	0.8652
43	C	A	0.0000
44	G	A	0.0000
45	P	A	-1.2818
46	K	A	-1.5830
47	A	A	-0.8598