Project name: query_structure

Chain sequence(s)	A: ATGVRAVPGNENSLEIEELARFAVDEHNKKENALLEFVRVVKAKEQIDLTGQWLFTMYYLTLEAKDGGKKKLYEAKVWVKPLWQYDAQYNFKELQEFKPVGDA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:50)

• Minimal score value: -4.0522
• Maximal score value: 1.5457
• Average score: -1.0102
• Total score value: -104.0519

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	A	A	0.3645
2	T	A	0.2571
3	G	A	-0.0239
4	V	A	0.2467
5	R	A	-1.4085
6	A	A	-1.1637
7	V	A	-1.1813
8	P	A	-1.3397
9	G	A	-1.4389
10	N	A	-2.0597
11	E	A	-2.4974
12	N	A	-2.5533
13	S	A	-1.5961
14	L	A	-0.8244
15	E	A	-2.6044
16	I	A	0.0000
17	E	A	-3.2105
18	E	A	-3.0241
19	L	A	0.0000
20	A	A	0.0000
21	R	A	-2.3048
22	F	A	-1.2588
23	A	A	0.0000
24	V	A	0.0000
25	D	A	-1.7621
26	E	A	-2.3062
27	H	A	-2.5164
28	N	A	-2.5256
29	K	A	-3.6404
30	K	A	-4.0522
31	E	A	-3.7408
32	N	A	-3.0337
33	A	A	-1.6820
34	L	A	-0.0201
35	L	A	0.0000
36	E	A	-1.9865
37	F	A	-1.3751
38	V	A	-1.2793
39	R	A	-2.3154
40	V	A	-1.8503
41	V	A	-0.7486
42	K	A	-2.1450
43	A	A	-1.9535
44	K	A	-1.5299
45	E	A	-0.7253
46	Q	A	0.0137
47	I	A	0.4198
48	D	A	0.8984
49	L	A	1.4469
50	T	A	0.4767
51	G	A	-0.3143
52	Q	A	-0.6245
53	W	A	0.5636
54	L	A	1.1436
55	F	A	0.8235
56	T	A	0.0000
57	M	A	-0.0933
58	Y	A	0.0000
59	Y	A	-0.7467
60	L	A	0.0000
61	T	A	-0.9849
62	L	A	0.0000
63	E	A	-1.6581
64	A	A	0.0000
65	K	A	-3.0445
66	D	A	-2.6767
67	G	A	-2.0049
68	G	A	-2.6783
69	K	A	-3.6913
70	K	A	-3.4825
71	K	A	-2.2344
72	L	A	-0.9835
73	Y	A	0.0000
74	E	A	-1.0183
75	A	A	0.0000
76	K	A	-1.2862
77	V	A	0.0000
78	W	A	-0.5995
79	V	A	-0.3373
80	K	A	0.1549
81	P	A	0.7860
82	L	A	1.5457
83	W	A	1.3346
84	Q	A	0.1064
85	Y	A	0.3843
86	D	A	-1.1211
87	A	A	-0.6533
88	Q	A	-0.8737
89	Y	A	0.0893
90	N	A	-0.7013
91	F	A	-0.2257
92	K	A	-1.0814
93	E	A	-1.5396
94	L	A	0.0000
95	Q	A	-1.4913
96	E	A	-1.6641
97	F	A	-1.2303
98	K	A	-1.4396
99	P	A	-0.8850
100	V	A	-0.2733
101	G	A	-1.1738
102	D	A	-1.7858
103	A	A	-0.8312