Project name: query_structure

Chain sequence(s)	A: ATGVRAVPGNENSLEIEELARFAVDEHNKKENALLEFVRVVKAKEQIDLTQSFDMTMYYLTLEAKDGGKKKLYEAKVWVKPIDSNFTGTNFKELQEFKPVGDA
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                                          (00:02:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:03)

• Minimal score value: -4.1927
• Maximal score value: 1.0394
• Average score: -1.1778
• Total score value: -121.3136

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	0.3296
2	T	A	0.2115
3	G	A	-0.1611
4	V	A	0.0361
5	R	A	-1.5891
6	A	A	-1.2968
7	V	A	0.0000
8	P	A	-1.3325
9	G	A	-1.3341
10	N	A	-1.7355
11	E	A	-2.1345
12	N	A	-2.0881
13	S	A	-1.1825
14	L	A	-0.3270
15	E	A	-2.0671
16	I	A	0.0000
17	E	A	-2.5758
18	E	A	-2.2542
19	L	A	0.0000
20	A	A	0.0000
21	R	A	-3.1224
22	F	A	-1.8545
23	A	A	0.0000
24	V	A	0.0000
25	D	A	-3.2986
26	E	A	-2.9669
27	H	A	-3.0342
28	N	A	-3.0313
29	K	A	-3.9468
30	K	A	-4.1927
31	E	A	-3.8688
32	N	A	-3.1473
33	A	A	-1.8888
34	L	A	-0.3644
35	L	A	0.0000
36	E	A	-2.8880
37	F	A	-1.9743
38	V	A	-1.3435
39	R	A	-2.1824
40	V	A	0.0000
41	V	A	-0.9202
42	K	A	-2.2125
43	A	A	0.0000
44	K	A	-1.4892
45	E	A	-0.8044
46	Q	A	-0.1236
47	I	A	0.0292
48	D	A	0.1569
49	L	A	0.7905
50	T	A	-0.0117
51	Q	A	-0.7495
52	S	A	-0.2135
53	F	A	0.1940
54	D	A	-1.0681
55	M	A	-0.1136
56	T	A	0.0000
57	M	A	-0.4354
58	Y	A	-0.0098
59	Y	A	-0.6618
60	L	A	0.0000
61	T	A	-1.1492
62	L	A	0.0000
63	E	A	-1.8759
64	A	A	0.0000
65	K	A	-3.1606
66	D	A	-2.9738
67	G	A	-2.1479
68	G	A	-2.8001
69	K	A	-3.7919
70	K	A	-3.4206
71	K	A	-2.4215
72	L	A	-1.0278
73	Y	A	0.0000
74	E	A	-1.4707
75	A	A	0.0000
76	K	A	-1.5311
77	V	A	0.0000
78	W	A	-0.7928
79	V	A	-0.5043
80	K	A	-0.8756
81	P	A	-0.4538
82	I	A	0.4046
83	D	A	-1.1650
84	S	A	-0.7269
85	N	A	-0.7816
86	F	A	1.0394
87	T	A	0.3133
88	G	A	-0.1592
89	T	A	-0.2850
90	N	A	-0.8939
91	F	A	-0.4818
92	K	A	-1.4974
93	E	A	-1.9758
94	L	A	-1.7359
95	Q	A	-2.0242
96	E	A	-2.0681
97	F	A	-1.4567
98	K	A	-1.5999
99	P	A	-1.0877
100	V	A	-0.5108
101	G	A	-1.2902
102	D	A	-1.8459
103	A	A	-0.8386