Project name: Busy_YtoA

Chain sequence(s)	A: QDKCKKVAENAPVSKCQLANQCNADCKLDKHARSGECFADEKRNLQCICDACEA
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                                          (00:01:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -4.1519
• Maximal score value: 1.0812
• Average score: -1.5327
• Total score value: -82.7683

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	-2.7859
2	D	A	-3.2227
3	K	A	-3.2897
4	C	A	-2.0374
5	K	A	-1.9721
6	K	A	-1.3230
7	V	A	0.3145
8	A	A	-1.1839
9	E	A	-2.3094
10	N	A	-1.9874
11	A	A	-0.8371
12	P	A	-0.1331
13	V	A	1.0812
14	S	A	0.3083
15	K	A	-0.3776
16	C	A	-0.2773
17	Q	A	-0.6137
18	L	A	0.0578
19	A	A	-1.0413
20	N	A	-1.8964
21	Q	A	-1.9629
22	C	A	0.0000
23	N	A	-2.1033
24	A	A	-1.8391
25	D	A	-1.8187
26	C	A	0.0000
27	K	A	-2.7455
28	L	A	-0.7157
29	D	A	-1.9921
30	K	A	-2.7802
31	H	A	-2.4689
32	A	A	0.0000
33	R	A	-3.2857
34	S	A	-2.4183
35	G	A	-2.1644
36	E	A	-1.4987
37	C	A	0.0900
38	F	A	0.2437
39	A	A	-1.7802
40	D	A	-3.4414
41	E	A	-3.9958
42	K	A	-4.1519
43	R	A	-4.0066
44	N	A	-2.6790
45	L	A	-0.9973
46	Q	A	-0.6265
47	C	A	0.0000
48	I	A	-0.3184
49	C	A	0.0000
50	D	A	-2.2004
51	A	A	-2.3407
52	C	A	-1.3932
53	E	A	-2.2094
54	A	A	-1.6415