Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSYSDYRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRIGGYRHRYLVLGEATVNVKIFQ
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.2838
• Maximal score value: 2.0267
• Average score: -0.663
• Total score value: -68.2844

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	0.0372
2	Q	A	-1.4668
3	V	A	0.0000
4	D	A	-1.3504
5	I	A	0.0000
6	V	A	1.0574
7	P	A	0.1878
8	S	A	-0.6114
9	Q	A	-1.7515
10	G	A	0.0000
11	E	A	-2.5879
12	I	A	0.0000
13	S	A	-1.0291
14	V	A	-0.2009
15	G	A	-1.2695
16	E	A	-2.1466
17	S	A	-0.9113
18	K	A	-0.2656
19	F	A	2.0267
20	F	A	0.0000
21	L	A	0.9391
22	C	A	0.0000
23	Q	A	-1.3249
24	V	A	0.0000
25	A	A	-0.5869
26	G	A	-0.3539
27	S	A	-0.0325
28	Y	A	0.2112
29	S	A	-1.1152
30	D	A	-1.9501
31	Y	A	-0.7940
32	R	A	-1.1877
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.4677
37	S	A	-1.4341
38	P	A	-1.3466
39	N	A	-2.1104
40	G	A	-2.2831
41	E	A	-3.2838
42	K	A	-2.8852
43	L	A	0.0000
44	T	A	-1.1153
45	P	A	-1.0119
46	N	A	-1.9549
47	Q	A	-2.0279
48	Q	A	-2.0820
49	R	A	-1.4689
50	I	A	0.0000
51	S	A	-0.2625
52	V	A	0.0000
53	V	A	0.7194
54	W	A	-0.5917
55	N	A	-1.8552
56	D	A	-3.0194
57	D	A	-3.2407
58	S	A	-1.9450
59	S	A	-1.6039
60	S	A	0.0000
61	T	A	0.7341
62	L	A	0.0000
63	T	A	0.9226
64	I	A	0.0000
65	Y	A	-0.5342
66	N	A	-1.8835
67	A	A	0.0000
68	N	A	-1.0956
69	I	A	-0.0471
70	D	A	-1.5576
71	D	A	0.0000
72	A	A	-0.7391
73	G	A	-0.3461
74	I	A	0.2930
75	Y	A	0.0000
76	K	A	-1.2628
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	Y	A	0.4795
81	R	A	0.1409
82	I	A	0.1050
83	G	A	-0.4197
84	G	A	-0.7431
85	Y	A	-0.2469
86	R	A	-2.1607
87	H	A	-1.9323
88	R	A	-1.7147
89	Y	A	0.5914
90	L	A	1.5740
91	V	A	1.8160
92	L	A	1.0280
93	G	A	-0.4505
94	E	A	-1.8834
95	A	A	-1.5124
96	T	A	-0.7395
97	V	A	0.0000
98	N	A	-1.2548
99	V	A	0.0000
100	K	A	-1.8547
101	I	A	0.0000
102	F	A	-0.3450
103	Q	A	-0.4976