Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGMLPTCEISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVHGPQCPRLTWSLGLPEATVNVKIFQ
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                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.2188
• Maximal score value: 1.9629
• Average score: -0.7303
• Total score value: -75.9551

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	L	A	-0.2628
2	Q	A	-1.4632
3	V	A	-1.3823
4	D	A	-1.4457
5	I	A	0.0000
6	V	A	0.6209
7	P	A	-0.1103
8	S	A	-0.8159
9	Q	A	-1.9696
10	G	A	0.0000
11	E	A	-2.8058
12	I	A	0.0000
13	S	A	-1.1419
14	V	A	-0.4418
15	G	A	-1.3270
16	E	A	-2.1868
17	S	A	-0.9606
18	K	A	-0.2715
19	F	A	1.9629
20	F	A	0.0000
21	L	A	0.7084
22	C	A	0.0000
23	Q	A	-1.5496
24	V	A	0.0000
25	A	A	-0.6228
26	G	A	-0.4006
27	M	A	-0.5907
28	L	A	-0.3547
29	P	A	-0.8134
30	T	A	-0.9925
31	C	A	0.0000
32	E	A	-1.8377
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.3416
37	S	A	-1.3611
38	P	A	-1.3077
39	N	A	-2.0949
40	G	A	-2.2280
41	E	A	-3.2188
42	K	A	-2.7585
43	L	A	-1.6535
44	T	A	-1.2031
45	P	A	-0.9425
46	N	A	-2.3777
47	Q	A	-2.5504
48	Q	A	-2.4339
49	R	A	-1.8759
50	I	A	0.0000
51	S	A	-0.3651
52	V	A	0.0000
53	V	A	0.8598
54	W	A	-0.5801
55	N	A	-1.9472
56	D	A	-3.0151
57	D	A	-3.1207
58	S	A	-2.0284
59	S	A	0.0000
60	S	A	0.0000
61	T	A	0.6533
62	L	A	0.0000
63	T	A	0.8833
64	I	A	0.0000
65	Y	A	-0.6732
66	N	A	-1.9899
67	A	A	0.0000
68	N	A	-1.2862
69	I	A	-0.1911
70	D	A	-1.4937
71	D	A	0.0000
72	A	A	-0.9205
73	G	A	-0.4784
74	I	A	0.2222
75	Y	A	0.0000
76	K	A	-1.0744
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	H	A	-1.3092
81	G	A	-1.2484
82	P	A	-1.2907
83	Q	A	-1.7736
84	C	A	0.0000
85	P	A	-1.0512
86	R	A	-1.3608
87	L	A	0.3534
88	T	A	0.6292
89	W	A	1.2068
90	S	A	0.9055
91	L	A	1.3252
92	G	A	0.1539
93	L	A	-0.2049
94	P	A	0.0000
95	E	A	-1.5785
96	A	A	-1.1069
97	T	A	-0.6651
98	V	A	0.0000
99	N	A	-1.5658
100	V	A	0.0000
101	K	A	-2.0955
102	I	A	0.0000
103	F	A	-0.4226
104	Q	A	-0.5079