Project name: query_structure

Chain sequence(s)	A: YEEYCTANAVTGPCRASFPRYFDVERNSCNNFIYGGCRGNKNSYRSEEACMLRCFRQ
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)

• Minimal score value: -3.1212
• Maximal score value: 1.9602
• Average score: -0.8797
• Total score value: -50.144

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	Y	A	-1.2319
2	E	A	-2.6389
3	E	A	-3.0582
4	Y	A	-1.8952
5	C	A	0.0000
6	T	A	-1.4987
7	A	A	-1.6425
8	N	A	-1.5844
9	A	A	-0.2781
10	V	A	0.1640
11	T	A	0.3191
12	G	A	-0.7126
13	P	A	-0.9223
14	C	A	-1.1476
15	R	A	-1.5307
16	A	A	-0.5034
17	S	A	0.1856
18	F	A	0.3781
19	P	A	0.0294
20	R	A	-0.7464
21	Y	A	-0.4125
22	F	A	0.0000
23	D	A	0.0000
24	V	A	-0.9783
25	E	A	-2.6615
26	R	A	-3.1212
27	N	A	-2.0950
28	S	A	-1.3694
29	C	A	0.0000
30	N	A	-1.2625
31	N	A	-0.7065
32	F	A	1.3502
33	I	A	1.9602
34	Y	A	0.5930
35	G	A	0.0000
36	G	A	-0.4606
37	C	A	-1.1109
38	R	A	-2.0472
39	G	A	-1.4632
40	N	A	-1.9051
41	K	A	-2.6685
42	N	A	0.0000
43	S	A	-0.9347
44	Y	A	0.0000
45	R	A	-2.2736
46	S	A	-2.0552
47	E	A	-2.4156
48	E	A	-2.1116
49	A	A	-1.1691
50	C	A	0.0000
51	M	A	-0.0839
52	L	A	0.3157
53	R	A	-0.5680
54	C	A	0.0000
55	F	A	0.6112
56	R	A	-1.3503
57	Q	A	-1.4352