Project name: query_structure

Chain sequence(s)	A: TCIGHYQKCVNADKPCCSKTVRYGDSKNVRKFICDRDGEGVCVPFDG
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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.529
• Maximal score value: 0.7347
• Average score: -1.1929
• Total score value: -56.0676

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
6	T	A	-0.0937
7	C	A	0.0671
8	I	A	-0.1098
9	G	A	-0.5870
10	H	A	-0.6610
11	Y	A	0.3083
12	Q	A	-1.1720
13	K	A	-2.2191
14	C	A	0.0000
15	V	A	-1.0762
16	N	A	-1.6722
17	A	A	-1.7451
18	D	A	-2.5788
19	K	A	-2.3427
20	P	A	-1.2137
21	C	A	-0.1511
22	C	A	-0.5229
23	S	A	-0.8316
24	K	A	-2.0270
25	T	A	-1.1123
26	V	A	-0.0999
27	R	A	-1.6232
28	Y	A	-0.3841
29	G	A	-1.2806
30	D	A	-2.4100
31	S	A	-2.1426
32	K	A	-2.5872
33	N	A	-2.3142
34	V	A	-1.2938
35	R	A	-1.7450
36	K	A	-1.4265
37	F	A	0.0000
38	I	A	0.4396
39	C	A	-0.8606
40	D	A	-2.0954
41	R	A	-3.5290
42	D	A	-3.5051
43	G	A	-2.9651
44	E	A	-3.2298
45	G	A	0.0000
46	V	A	-1.8502
47	C	A	0.0000
48	V	A	0.6263
49	P	A	0.0222
50	F	A	0.7347
51	D	A	-1.4806
52	G	A	-1.3267