Project name: a3cc05cb83408fa

Chain sequence(s)	A: KTHLRDMIILPEMVGSMVGVYNGKTFNQVELKPEMIGHYLGEFSITYKPVKHGRPARDRCHPLLPIHPPQVA
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -3.6938
• Maximal score value: 2.2742
• Average score: -0.6154
• Total score value: -44.3105

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	K	A	-1.6720
2	T	A	-0.7883
3	H	A	-0.9414
4	L	A	0.1734
5	R	A	-0.7854
6	D	A	-1.4246
7	M	A	0.2281
8	I	A	1.2636
9	I	A	0.0000
10	L	A	0.6338
11	P	A	-0.6752
12	E	A	-1.4737
13	M	A	-0.4518
14	V	A	-0.7321
15	G	A	-1.0593
16	S	A	-0.6081
17	M	A	-0.5970
18	V	A	-0.7542
19	G	A	0.0000
20	V	A	0.0000
21	Y	A	-0.5525
22	N	A	-0.1305
23	G	A	-0.7635
24	K	A	-1.7875
25	T	A	-0.8685
26	F	A	-0.7080
27	N	A	-0.7273
28	Q	A	-1.5356
29	V	A	-1.1067
30	E	A	-1.8176
31	L	A	0.0000
32	K	A	-1.8377
33	P	A	-1.3992
34	E	A	-1.9957
35	M	A	-0.8433
36	I	A	0.1998
37	G	A	0.1357
38	H	A	-0.3647
39	Y	A	0.2046
40	L	A	0.0000
41	G	A	-0.5610
42	E	A	-1.2800
43	F	A	-0.1547
44	S	A	0.0000
45	I	A	1.6556
46	T	A	0.6560
47	Y	A	1.1729
48	K	A	-0.5774
49	P	A	-0.2207
50	V	A	0.2364
51	K	A	-1.8984
52	H	A	-2.0543
53	G	A	-2.1058
54	R	A	-2.8435
55	P	A	-2.5138
56	A	A	-2.5272
57	R	A	-3.6610
58	D	A	-3.6938
59	R	A	-3.4863
60	C	A	-1.5375
61	H	A	-1.0935
62	P	A	0.0962
63	L	A	2.0991
64	L	A	2.2742
65	P	A	1.4138
66	I	A	1.9207
67	H	A	-0.2399
68	P	A	-0.4023
69	P	A	-0.4461
70	Q	A	-0.6624
71	V	A	1.1113
72	A	A	0.5753