Project name: wt_325517

Chain sequence(s)	A: HMLDDFENGDIFIKENMIHTARFHDVAGDFYKYFGEHDEANIQYDKALSFDMDESQKNLINLKRPI
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -3.544
• Maximal score value: 1.8762
• Average score: -0.9883
• Total score value: -65.2306

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	H	A	-1.3151
2	M	A	-0.5763
3	L	A	-0.6929
4	D	A	-3.0776
5	D	A	-3.1172
6	F	A	-1.4801
7	E	A	-2.5761
8	N	A	-2.1818
9	G	A	-1.1226
10	D	A	-1.2901
11	I	A	-0.1380
12	F	A	0.4153
13	I	A	0.0000
14	K	A	-1.6208
15	E	A	-1.7018
16	N	A	-0.5750
17	M	A	0.5780
18	I	A	0.5337
19	H	A	-0.4960
20	T	A	-0.8234
21	A	A	-1.3507
22	R	A	-1.5077
23	F	A	-0.4956
24	H	A	0.0000
25	D	A	0.0000
26	V	A	0.4824
27	A	A	0.0000
28	G	A	0.0000
29	D	A	-0.4902
30	F	A	0.1450
31	Y	A	0.0000
32	K	A	-1.3182
33	Y	A	0.6177
34	F	A	0.1676
35	G	A	-1.1648
36	E	A	-2.0187
37	H	A	-2.0991
38	D	A	-2.7737
39	E	A	-2.2163
40	A	A	0.0000
41	N	A	-1.6653
42	I	A	-0.5615
43	Q	A	-0.8997
44	Y	A	0.0000
45	D	A	-1.5568
46	K	A	-1.5085
47	A	A	0.0000
48	L	A	-1.6170
49	S	A	-1.0211
50	F	A	-1.3827
51	D	A	-2.2223
52	M	A	-2.2082
53	D	A	-3.4849
54	E	A	-3.5440
55	S	A	-2.3289
56	Q	A	-2.3858
57	K	A	-2.5533
58	N	A	-1.9780
59	L	A	0.0439
60	I	A	0.0000
61	N	A	-1.0940
62	L	A	0.8912
63	K	A	-0.0648
64	R	A	-0.5054
65	P	A	-0.1796
66	I	A	1.8762