Project name: REST_test

Chain sequence(s)	A: MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.4343
• Maximal score value: 1.5331
• Average score: -0.6084
• Total score value: -46.2363

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	0.0872
2	Q	A	-0.8092
3	I	A	0.0000
4	F	A	0.4679
5	V	A	0.0000
6	K	A	-1.1789
7	T	A	0.0709
8	L	A	1.5331
9	T	A	0.1249
10	G	A	-0.7178
11	K	A	-1.3607
12	T	A	-0.4089
13	I	A	0.0000
14	T	A	0.0244
15	L	A	0.0000
16	E	A	-1.8939
17	V	A	0.0000
18	E	A	-1.8348
19	P	A	-0.4710
20	S	A	-0.2962
21	D	A	-0.4112
22	T	A	-0.0867
23	I	A	0.0000
24	E	A	-2.1523
25	N	A	-0.9160
26	V	A	0.0000
27	K	A	-0.1973
28	A	A	-0.1935
29	K	A	-0.8809
30	I	A	0.0000
31	Q	A	-1.0009
32	D	A	-2.2689
33	K	A	-2.1899
34	E	A	-1.9078
35	G	A	-0.7978
36	I	A	0.0572
37	P	A	-0.0571
38	P	A	-0.4107
39	D	A	-1.8394
40	Q	A	-0.7363
41	Q	A	0.0000
42	R	A	-0.6404
43	L	A	0.0000
44	I	A	0.1109
45	F	A	0.3562
46	A	A	0.0258
47	G	A	-0.6588
48	K	A	-1.4065
49	Q	A	-1.3648
50	L	A	0.0000
51	E	A	-2.1452
52	D	A	-2.4343
53	G	A	-1.0197
54	R	A	-1.3420
55	T	A	-0.2457
56	L	A	0.0000
57	S	A	-0.5090
58	D	A	-1.2022
59	Y	A	-0.3015
60	N	A	-1.2607
61	I	A	0.0000
62	Q	A	-1.4813
63	K	A	-2.1063
64	E	A	-2.1138
65	S	A	-0.3715
66	T	A	0.0285
67	L	A	0.0000
68	H	A	-0.8454
69	L	A	0.0000
70	V	A	0.4860
71	L	A	0.5148
72	R	A	-1.4383
73	L	A	0.8708
74	R	A	-1.6433
75	G	A	-0.8935
76	G	A	-0.5526