Project name: acre3

Chain sequence(s)	A: MKITNDTTTYYEVAELMGSEADELDGRIMMMGLLSRECVVDTDDLSEDQWLALIDESQKVRREQFESDEA
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]                                                (00:00:00)
[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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.4609
• Maximal score value: 0.8582
• Average score: -1.4745
• Total score value: -100.2671

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	-0.8788
2	K	A	-1.4374
3	I	A	-0.4179
4	T	A	-1.1883
5	N	A	-2.1158
6	D	A	-2.3903
7	T	A	-1.4491
8	T	A	-0.9945
9	T	A	-1.1139
10	Y	A	-0.2251
11	E	A	-0.8259
12	V	A	0.0000
13	A	A	0.0000
14	E	A	-1.4781
15	L	A	0.0433
16	M	A	-0.2137
17	G	A	-1.0973
18	S	A	-1.5297
19	E	A	-2.3567
20	A	A	-1.6683
21	D	A	-2.2030
22	E	A	-2.1480
23	L	A	-1.4244
24	D	A	0.0000
25	G	A	0.0000
26	R	A	-2.2514
27	I	A	0.0000
28	M	A	0.0000
29	M	A	-1.0733
30	G	A	-1.4117
31	L	A	0.0000
32	L	A	0.0000
33	S	A	-0.9261
34	R	A	-2.3513
35	E	A	-1.5689
36	C	A	-0.0092
37	V	A	-0.1416
38	V	A	0.8582
39	D	A	-0.8984
40	T	A	-1.3758
41	D	A	-2.8419
42	D	A	-2.8031
43	L	A	-2.2240
44	S	A	-2.4112
45	E	A	-3.0629
46	D	A	-2.6996
47	Q	A	-2.4034
48	W	A	-1.5126
49	L	A	-0.4564
50	A	A	-1.1059
51	L	A	0.0000
52	I	A	-0.7136
53	D	A	-2.0496
54	E	A	-1.8812
55	S	A	0.0000
56	Q	A	-2.6287
57	K	A	-3.4323
58	V	A	-2.2503
59	R	A	-2.4488
60	R	A	-3.4209
61	E	A	-3.4609
62	Q	A	-2.6558
63	F	A	-1.5208
64	E	A	-3.3171
65	S	A	-2.9353
66	D	A	-3.1654
67	E	A	-2.9822
68	A	A	-1.6208