Project name: query_structure

Chain sequence(s)	A: LQVDIVPSQGEISVGESKFFLCQVAGMLPTCEISWFSPNGEKLTPNQQRISVVWNDDSSSTLTIYNANIDDAGIYKCVVHGPCQPRLTWSLGLPEATVNVKIFQ
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: -3.1757
• Maximal score value: 1.9841
• Average score: -0.5674
• Total score value: -59.0082

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	0.3056
2	Q	A	-1.3485
3	V	A	-1.3749
4	D	A	-1.4647
5	I	A	0.0000
6	V	A	0.6893
7	P	A	-0.0254
8	S	A	-0.7122
9	Q	A	-1.7013
10	G	A	0.0000
11	E	A	-2.4125
12	I	A	0.0000
13	S	A	-1.0048
14	V	A	-0.6670
15	G	A	-1.4215
16	E	A	-2.2944
17	S	A	-1.0689
18	K	A	-0.3301
19	F	A	1.9558
20	F	A	0.0000
21	L	A	0.7717
22	C	A	0.0000
23	Q	A	-1.4929
24	V	A	0.0000
25	A	A	-0.3111
26	G	A	0.1835
27	M	A	0.8396
28	L	A	0.3592
29	P	A	-0.7164
30	T	A	-0.6032
31	C	A	0.0000
32	E	A	-1.7912
33	I	A	0.0000
34	S	A	0.0000
35	W	A	0.0000
36	F	A	-1.2774
37	S	A	-1.3431
38	P	A	-1.2034
39	N	A	-2.0646
40	G	A	-2.1921
41	E	A	-3.1757
42	K	A	-2.6734
43	L	A	0.0000
44	T	A	-1.1680
45	P	A	-0.8721
46	N	A	-2.1201
47	Q	A	-2.2954
48	Q	A	-2.3136
49	R	A	-1.8503
50	I	A	0.0000
51	S	A	-0.3192
52	V	A	0.0000
53	V	A	0.7545
54	W	A	-0.4859
55	N	A	-1.8560
56	D	A	-3.0177
57	D	A	-2.8587
58	S	A	-1.7307
59	S	A	-1.6312
60	S	A	0.0000
61	T	A	0.6950
62	L	A	0.0000
63	T	A	0.8722
64	I	A	0.0000
65	Y	A	-0.7563
66	N	A	-2.1151
67	A	A	0.0000
68	N	A	-1.1795
69	I	A	0.1370
70	D	A	-1.3082
71	D	A	0.0000
72	A	A	-0.5867
73	G	A	-0.1260
74	I	A	0.5460
75	Y	A	0.0000
76	K	A	-1.0211
77	C	A	0.0000
78	V	A	0.0000
79	V	A	0.0000
80	H	A	-0.7543
81	G	A	-0.6275
82	P	A	-0.7700
83	C	A	-0.2855
84	Q	A	0.0000
85	P	A	-0.2487
86	R	A	-0.9314
87	L	A	1.1614
88	T	A	1.2285
89	W	A	1.4113
90	S	A	1.1366
91	L	A	1.9841
92	G	A	0.7935
93	L	A	0.3407
94	P	A	-0.5393
95	E	A	-1.8988
96	A	A	-1.3418
97	T	A	-0.5892
98	V	A	0.0000
99	N	A	-0.9615
100	V	A	0.0000
101	K	A	-1.1866
102	I	A	-0.6427
103	F	A	0.1979
104	Q	A	-0.3118