Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGSKSGIRISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVYRTGGYRHRYLRLGEATVNVKIFQ
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                                          (00:01:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:16)

• Minimal score value: -3.6364
• Maximal score value: 1.9721
• Average score: -0.8565
• Total score value: -88.2151

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	0.4573
2	Q	A	-1.0509
3	V	A	-1.2315
4	D	A	-1.3089
5	I	A	0.0000
6	V	A	1.1822
7	P	A	0.4431
8	S	A	-0.5555
9	Q	A	-1.7089
10	G	A	0.0000
11	E	A	-2.4607
12	I	A	0.0000
13	S	A	-0.8879
14	V	A	-0.0952
15	G	A	-1.2702
16	E	A	-2.2427
17	S	A	-1.0699
18	K	A	-0.4477
19	F	A	1.9721
20	F	A	0.0000
21	L	A	0.9723
22	C	A	0.0000
23	Q	A	-1.2441
24	V	A	0.0000
25	A	A	-0.7398
26	G	A	-0.8159
27	S	A	-1.3535
28	K	A	-2.7666
29	S	A	-1.9961
30	G	A	-1.7397
31	I	A	-1.6630
32	R	A	-1.5587
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.3318
37	S	A	-1.3474
38	P	A	-1.2773
39	N	A	-2.0722
40	G	A	-2.1943
41	E	A	-3.0944
42	K	A	-2.5170
43	L	A	0.0000
44	T	A	-1.0441
45	P	A	-0.9450
46	N	A	-1.9769
47	Q	A	-2.0509
48	Q	A	-2.1152
49	R	A	-1.5112
50	I	A	0.0000
51	S	A	-0.2311
52	V	A	0.0000
53	V	A	0.6987
54	W	A	-0.5946
55	N	A	-1.9100
56	D	A	-3.2336
57	D	A	-3.6364
58	S	A	0.0000
59	S	A	-1.7328
60	S	A	0.0000
61	T	A	0.7334
62	L	A	0.0000
63	T	A	0.8617
64	I	A	0.0000
65	Y	A	-0.6517
66	N	A	-1.9638
67	A	A	0.0000
68	N	A	-0.8812
69	I	A	0.1460
70	D	A	-1.3678
71	D	A	0.0000
72	A	A	-0.6004
73	G	A	-0.3314
74	I	A	0.2325
75	Y	A	0.0000
76	K	A	-1.0728
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	Y	A	-1.1729
81	R	A	-1.6295
82	T	A	-1.4734
83	G	A	-1.2516
84	G	A	-1.0127
85	Y	A	-0.3774
86	R	A	-2.3430
87	H	A	-2.3542
88	R	A	-2.5095
89	Y	A	-0.9347
90	L	A	-0.2058
91	R	A	-1.6053
92	L	A	-0.3541
93	G	A	-1.1618
94	E	A	-2.2793
95	A	A	-1.4169
96	T	A	-0.6628
97	V	A	0.0000
98	N	A	-1.1682
99	V	A	0.0000
100	K	A	-1.4970
101	I	A	-0.6437
102	F	A	0.2383
103	Q	A	-0.2062