Project name: query_structure

Chain sequence(s)	A: ATGVRAVPGNENSLEIEELARFAVDEHNKKENALLEFVRVVKAKEQIDLTQPHDSTMYYLTLEAKDGGKKKLYEAKVWVKYEEDEYWRMNFKELQEFKPVGDA
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                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:07)

• Minimal score value: -4.2282
• Maximal score value: 0.5654
• Average score: -1.3208
• Total score value: -136.0463

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	0.2125
2	T	A	0.0772
3	G	A	-0.2626
4	V	A	-0.4657
5	R	A	-1.6964
6	A	A	-1.2575
7	V	A	-1.1646
8	P	A	-1.2750
9	G	A	-1.4190
10	N	A	-1.8608
11	E	A	-2.4226
12	N	A	-2.1937
13	S	A	-1.1025
14	L	A	-0.0932
15	E	A	-1.5750
16	I	A	0.0000
17	E	A	-1.9833
18	E	A	-1.4737
19	L	A	0.0000
20	A	A	0.0000
21	R	A	-2.3505
22	F	A	-1.4818
23	A	A	0.0000
24	V	A	0.0000
25	D	A	-3.1617
26	E	A	-3.0455
27	H	A	0.0000
28	N	A	-3.0807
29	K	A	-3.9849
30	K	A	-4.2282
31	E	A	-3.8599
32	N	A	-3.1732
33	A	A	-1.9335
34	L	A	-0.3733
35	L	A	0.0000
36	E	A	-2.9002
37	F	A	-1.8557
38	V	A	-1.3571
39	R	A	-2.3470
40	V	A	0.0000
41	V	A	-1.0255
42	K	A	-2.2963
43	A	A	-1.7787
44	K	A	-1.6104
45	E	A	-0.8654
46	Q	A	-0.3177
47	I	A	-0.2343
48	D	A	-0.2822
49	L	A	0.5654
50	T	A	-0.2987
51	Q	A	-1.3565
52	P	A	-1.4613
53	H	A	-2.3128
54	D	A	-1.7981
55	S	A	0.0000
56	T	A	0.0000
57	M	A	-0.3753
58	Y	A	0.0000
59	Y	A	-0.7560
60	L	A	0.0000
61	T	A	-1.1301
62	L	A	0.0000
63	E	A	-1.9187
64	A	A	0.0000
65	K	A	-3.3700
66	D	A	-2.8200
67	G	A	-2.1362
68	G	A	-2.7818
69	K	A	-3.7827
70	K	A	-3.5916
71	K	A	-2.6932
72	L	A	-1.2225
73	Y	A	0.0000
74	E	A	-1.1045
75	A	A	0.0000
76	K	A	-1.1899
77	V	A	0.0000
78	W	A	-0.4322
79	V	A	0.0000
80	K	A	-1.1468
81	Y	A	-1.8799
82	E	A	-3.2119
83	E	A	-4.0031
84	D	A	-3.5144
85	E	A	-2.7982
86	Y	A	-0.2473
87	W	A	-0.1096
88	R	A	-1.7162
89	M	A	0.1193
90	N	A	-0.6488
91	F	A	-0.2774
92	K	A	-1.0146
93	E	A	-1.5862
94	L	A	0.0000
95	Q	A	-1.3750
96	E	A	-1.5392
97	F	A	-1.1546
98	K	A	-1.3042
99	P	A	-0.9331
100	V	A	-0.3391
101	G	A	-1.2212
102	D	A	-1.8430
103	A	A	-0.8355