Project name: query_structure

Chain sequence(s)	A: AENKFNKEMRNAYWEIALLPNLNNQQKRAFIRSLYDDPSQSANLLAEAKKLSESQAPGGGC
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.5612
• Maximal score value: 1.5256
• Average score: -1.4913
• Total score value: -90.9663

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	A	A	-1.3960
2	E	A	-2.7460
3	N	A	-2.6524
4	K	A	-2.9086
5	F	A	-1.3854
6	N	A	-3.0185
7	K	A	-3.5157
8	E	A	-3.5612
9	M	A	0.0000
10	R	A	-2.4784
11	N	A	-2.4838
12	A	A	0.0000
13	Y	A	-0.4310
14	W	A	0.4489
15	E	A	-0.2069
16	I	A	0.0000
17	A	A	0.2250
18	L	A	1.5256
19	L	A	-0.0383
20	P	A	-0.5913
21	N	A	-1.2472
22	L	A	0.0000
23	N	A	-2.7729
24	N	A	-3.1578
25	Q	A	-3.0154
26	Q	A	-2.4308
27	K	A	-2.4231
28	R	A	-3.3294
29	A	A	-2.0832
30	F	A	0.0000
31	I	A	-1.1882
32	R	A	-2.3591
33	S	A	-1.6750
34	L	A	0.0000
35	Y	A	-0.2645
36	D	A	-2.0647
37	D	A	-1.6434
38	P	A	-1.5296
39	S	A	-1.3532
40	Q	A	-1.6189
41	S	A	0.0000
42	A	A	-1.4039
43	N	A	-1.8908
44	L	A	-1.4309
45	L	A	-1.1990
46	A	A	-1.8205
47	E	A	-2.8927
48	A	A	0.0000
49	K	A	-2.7605
50	K	A	-3.2194
51	L	A	-1.8811
52	S	A	0.0000
53	E	A	-3.1650
54	S	A	-1.9871
55	Q	A	-1.8924
56	A	A	-1.6076
57	P	A	-1.0845
58	G	A	-1.0939
59	G	A	-1.1042
60	G	A	-1.2036
61	C	A	0.0412