Project name: Busy_A3D

Chain sequence(s)	A: QDKCKKVYENYPVSKCQLANQCNYDCKLDKHARSGECFYDEKRNLQCICDYCEY
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:47)

• Minimal score value: -3.7112
• Maximal score value: 1.1049
• Average score: -1.0897
• Total score value: -58.8452

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	Q	A	-2.6763
2	D	A	-3.2673
3	K	A	-3.1348
4	C	A	-2.4151
5	K	A	-2.3427
6	K	A	-1.8987
7	V	A	-0.1484
8	Y	A	-1.1946
9	E	A	-2.1312
10	N	A	-1.7375
11	Y	A	-0.6579
12	P	A	-0.3353
13	V	A	0.7955
14	S	A	0.0955
15	K	A	-0.5339
16	C	A	0.0000
17	Q	A	-0.5943
18	L	A	0.4952
19	A	A	-0.3951
20	N	A	-1.3170
21	Q	A	-0.7434
22	C	A	0.0000
23	N	A	-1.0824
24	Y	A	-0.0270
25	D	A	0.0000
26	C	A	0.0000
27	K	A	-1.6107
28	L	A	-0.2081
29	D	A	-1.7233
30	K	A	-2.1136
31	H	A	-2.0546
32	A	A	0.0000
33	R	A	-2.4067
34	S	A	-1.7545
35	G	A	0.0000
36	E	A	-1.5035
37	C	A	0.1081
38	F	A	1.1049
39	Y	A	-0.0153
40	D	A	-1.9164
41	E	A	-3.1738
42	K	A	-3.7112
43	R	A	-3.3294
44	N	A	-2.1627
45	L	A	-0.3329
46	Q	A	-0.0768
47	C	A	0.0000
48	I	A	-0.2965
49	C	A	0.0000
50	D	A	-2.3893
51	Y	A	-1.8520
52	C	A	-1.3242
53	E	A	-1.3753
54	Y	A	0.5193