Project name: GapC61_rank1_A3D_static_d10

Chain sequence(s)	A: MVVKVGINGFGRIGRLAFRRIQNVEGVEVTRINDLTDPNMLAHLLKYDTTQGRFDGTVEVK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -2.5905
• Maximal score value: 2.1663
• Average score: -0.8796
• Total score value: -53.6534

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	M	A	2.1528
2	V	A	2.1663
3	V	A	1.6306
4	K	A	-0.7581
5	V	A	-0.5055
6	G	A	-1.4526
7	I	A	-1.0587
8	N	A	-1.8108
9	G	A	-0.9338
10	F	A	0.0000
11	G	A	-0.5159
12	R	A	-0.8356
13	I	A	1.1842
14	G	A	0.0000
15	R	A	-0.0486
16	L	A	0.0833
17	A	A	-0.0414
18	F	A	-0.4442
19	R	A	-1.3658
20	R	A	-2.0735
21	I	A	-1.4910
22	Q	A	-2.4604
23	N	A	-2.3199
24	V	A	-1.4543
25	E	A	-1.5820
26	G	A	-0.0767
27	V	A	0.0455
28	E	A	-1.4377
29	V	A	-0.9152
30	T	A	-1.2124
31	R	A	-2.2465
32	I	A	-1.0406
33	N	A	-1.7669
34	D	A	-0.8450
35	L	A	0.4596
36	T	A	-0.4139
37	D	A	-1.4659
38	P	A	-1.4739
39	N	A	-1.7914
40	M	A	-0.4772
41	L	A	-0.2341
42	A	A	-0.7676
43	H	A	-0.6732
44	L	A	-0.2091
45	L	A	0.0000
46	K	A	-1.1919
47	Y	A	-0.2306
48	D	A	-0.9604
49	T	A	-0.6182
50	T	A	-0.9026
51	Q	A	-1.6262
52	G	A	-1.7840
53	R	A	-2.4026
54	F	A	-1.9570
55	D	A	-2.5905
56	G	A	-1.8540
57	T	A	-0.9872
58	V	A	-1.0777
59	E	A	-2.0621
60	V	A	-1.0613
61	K	A	-1.8700