Project name: 65r2

Chain sequence(s)	A: MIAGVDQALAATGQASQRAAGASGGVTVGVGVGTEQRNLSVVAPSQFTFSSRSPDFVDETAGQSWCAILGLNQFHFAVTNDGVI
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.1041
• Maximal score value: 2.7367
• Average score: -0.629
• Total score value: -52.8349

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	1.5818
2	I	A	2.0588
3	A	A	0.3917
4	G	A	-0.3115
5	V	A	-0.1174
6	D	A	-1.6634
7	Q	A	-1.7248
8	A	A	-1.3226
9	L	A	-1.0000
10	A	A	-1.0061
11	A	A	-0.6480
12	T	A	-0.5608
13	G	A	-0.7981
14	Q	A	-1.5113
15	A	A	-1.2262
16	S	A	-1.5210
17	Q	A	-1.8793
18	R	A	-1.4854
19	A	A	-1.0166
20	A	A	-0.6471
21	G	A	-0.6807
22	A	A	-0.5525
23	S	A	-0.5199
24	G	A	-0.2434
25	G	A	0.3058
26	V	A	0.2511
27	T	A	-0.4880
28	V	A	-0.5380
29	G	A	-1.8102
30	V	A	-1.2483
31	G	A	-1.7412
32	V	A	-1.7206
33	G	A	-1.6587
34	T	A	-1.4163
35	E	A	-2.8442
36	Q	A	-3.1041
37	R	A	-2.7770
38	N	A	-1.9588
39	L	A	-0.3855
40	S	A	0.1352
41	V	A	0.8563
42	V	A	1.6378
43	A	A	0.4613
44	P	A	0.0241
45	S	A	-0.5166
46	Q	A	-0.8696
47	F	A	-0.0319
48	T	A	0.3601
49	F	A	0.6015
50	S	A	-0.4208
51	S	A	-1.2259
52	R	A	-2.0471
53	S	A	-1.1601
54	P	A	-0.9371
55	D	A	-1.2745
56	F	A	0.1901
57	V	A	0.2008
58	D	A	-1.8778
59	E	A	-2.2064
60	T	A	-1.5696
61	A	A	-1.7348
62	G	A	-1.9971
63	Q	A	-1.4362
64	S	A	-0.7735
65	W	A	0.1068
66	C	A	0.1664
67	A	A	0.0000
68	I	A	0.1540
69	L	A	-0.0841
70	G	A	-0.2805
71	L	A	0.7324
72	N	A	-0.7191
73	Q	A	-0.8553
74	F	A	0.2611
75	H	A	-0.0867
76	F	A	0.6406
77	A	A	0.4645
78	V	A	0.0000
79	T	A	-0.6393
80	N	A	-2.1799
81	D	A	-1.7354
82	G	A	-0.4067
83	V	A	2.0392
84	I	A	2.7367