Project name: Busy_Y39A

Chain sequence(s)	A: QDKCKKVYENYPVSKCQLANQCNYDCKLDKHARSGECFADEKRNLQCICDYCEY
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                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:12)

• Minimal score value: -3.7794
• Maximal score value: 0.5752
• Average score: -1.1301
• Total score value: -61.0267

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	-2.4556
2	D	A	-3.2625
3	K	A	-3.3781
4	C	A	-2.4318
5	K	A	-2.4909
6	K	A	-1.5768
7	V	A	0.2073
8	Y	A	-0.9168
9	E	A	-1.9589
10	N	A	-1.7513
11	Y	A	-0.6964
12	P	A	-0.4862
13	V	A	0.4253
14	S	A	-0.1015
15	K	A	-0.4538
16	C	A	-0.3970
17	Q	A	-0.7252
18	L	A	0.2005
19	A	A	-0.4751
20	N	A	-1.2987
21	Q	A	-0.7384
22	C	A	0.0000
23	N	A	-0.7025
24	Y	A	0.0510
25	D	A	0.0000
26	C	A	0.0000
27	K	A	-1.3213
28	L	A	-0.1503
29	D	A	-1.8263
30	K	A	-2.2315
31	H	A	-1.9570
32	A	A	0.0000
33	R	A	-1.4004
34	S	A	-1.3664
35	G	A	-1.4451
36	E	A	-1.3890
37	C	A	-0.0767
38	F	A	0.5752
39	A	A	-0.9104
40	D	A	-2.2313
41	E	A	-3.3763
42	K	A	-3.7794
43	R	A	-3.5108
44	N	A	-2.1010
45	L	A	-0.8189
46	Q	A	-0.1831
47	C	A	0.0000
48	I	A	-0.2957
49	C	A	0.0000
50	D	A	-1.9030
51	Y	A	-1.5101
52	C	A	-1.0797
53	E	A	-1.4238
54	Y	A	0.0990