Project name: 1pga

Chain sequence(s)	A: MTYKLILNGKTLKGETTTEAVDAATAEKVFKQYANDNGVDGEWTYDDATKTFTVTE
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:07)

• Minimal score value: -3.5756
• Maximal score value: 1.1817
• Average score: -1.3318
• Total score value: -74.5797

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	0.6646
2	T	A	-0.3837
3	Y	A	0.0000
4	K	A	-1.1545
5	L	A	0.0000
6	I	A	-0.6916
7	L	A	0.0000
8	N	A	-2.6819
9	G	A	0.0000
10	K	A	-2.8176
11	T	A	-1.6202
12	L	A	-1.8442
13	K	A	-2.6115
14	G	A	-1.9344
15	E	A	-2.2390
16	T	A	-1.0041
17	T	A	-1.0651
18	T	A	-0.7764
19	E	A	-1.2320
20	A	A	-0.0945
21	V	A	1.1817
22	D	A	-0.2790
23	A	A	-0.8958
24	A	A	-0.4554
25	T	A	-0.5635
26	A	A	0.0000
27	E	A	-1.4303
28	K	A	-1.8729
29	V	A	-0.5474
30	F	A	0.0000
31	K	A	-2.5506
32	Q	A	-2.6081
33	Y	A	-1.5965
34	A	A	0.0000
35	N	A	-3.4371
36	D	A	-3.4928
37	N	A	-2.8075
38	G	A	-2.5447
39	V	A	0.0000
40	D	A	-3.5756
41	G	A	-3.1105
42	E	A	-2.6189
43	W	A	-1.1074
44	T	A	-0.7052
45	Y	A	-1.0893
46	D	A	-2.4812
47	D	A	-2.6777
48	A	A	-1.4608
49	T	A	-1.3673
50	K	A	-1.7276
51	T	A	-1.2591
52	F	A	0.0000
53	T	A	-0.6445
54	V	A	0.0000
55	T	A	-2.4159
56	E	A	-2.9527