Project name: Sirius_7

Chain sequence(s)	A: VKIVSRKSLGVQNVYDIGVEKDHNFLLANGLIASNEGTFTSDVSSYLEGQAAKEFIAWLVRGRG
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.966
• Maximal score value: 2.7015
• Average score: -0.1621
• Total score value: -10.3769

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	V	A	1.6053
2	K	A	0.5385
3	I	A	1.9288
4	V	A	1.9647
5	S	A	-0.2646
6	R	A	-1.9759
7	K	A	-2.4147
8	S	A	-0.6397
9	L	A	0.7409
10	G	A	0.4297
11	V	A	1.2108
12	Q	A	-0.1716
13	N	A	-0.3587
14	V	A	1.3892
15	Y	A	1.0926
16	D	A	-0.3532
17	I	A	0.3144
18	G	A	-1.2776
19	V	A	-2.1485
20	E	A	-3.0434
21	K	A	-3.7726
22	D	A	-3.9660
23	H	A	-3.8407
24	N	A	-1.9915
25	F	A	0.5481
26	L	A	2.5404
27	L	A	1.6930
28	A	A	0.4378
29	N	A	-0.3366
30	G	A	0.7409
31	L	A	2.4838
32	I	A	2.7015
33	A	A	1.1114
34	S	A	-0.8874
35	N	A	-2.2670
36	E	A	-2.5252
37	G	A	-1.5581
38	T	A	-0.6321
39	F	A	0.7800
40	T	A	-0.2079
41	S	A	-0.3381
42	D	A	-0.6678
43	V	A	0.7870
44	S	A	0.1224
45	S	A	-0.1901
46	Y	A	0.8963
47	L	A	0.6973
48	E	A	-1.4893
49	G	A	-0.7724
50	Q	A	-0.9549
51	A	A	-0.6692
52	A	A	-0.4272
53	K	A	-1.3887
54	E	A	-0.8663
55	F	A	1.9472
56	I	A	2.4512
57	A	A	1.2422
58	W	A	1.2364
59	L	A	1.7678
60	V	A	1.7778
61	R	A	-0.5723
62	G	A	-1.0648
63	R	A	-2.1231
64	G	A	-1.3971