Project name: query_structure

Chain sequence(s)	C: LHGTEVVVAGWVASLGDYGRVKIVKVSDRGGAAVPVYLEAGKTPDHLFKVFAELSREDVVVIKGIVEASKGVGRGVEIFPSEIWILNKA
Selected Chain(s)	C
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 C 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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -2.9023
• Maximal score value: 1.7111
• Average score: -0.7259
• Total score value: -64.6065

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
16	L	C	0.9964
17	H	C	-0.6205
18	G	C	-0.8289
19	T	C	-0.9860
20	E	C	-1.5155
21	V	C	0.4564
22	V	C	1.5645
23	V	C	1.0986
24	A	C	0.7154
25	G	C	-0.7818
26	W	C	-1.3416
27	V	C	0.0000
28	A	C	-1.3250
29	S	C	-0.7773
30	L	C	-0.3645
31	G	C	-0.3771
32	D	C	-1.3888
33	Y	C	-0.3124
34	G	C	-1.3169
35	R	C	-2.4434
36	V	C	-1.3838
37	K	C	-0.7987
38	I	C	-0.0418
39	V	C	0.0000
40	K	C	-0.7184
41	V	C	0.0000
42	S	C	0.0000
43	D	C	-2.7697
44	R	C	-2.9023
45	G	C	-1.7035
46	G	C	-1.4117
47	A	C	-0.8466
48	A	C	-0.4977
49	V	C	0.0759
50	P	C	0.0605
51	V	C	0.0000
52	Y	C	-0.1976
53	L	C	0.0000
54	E	C	-2.1051
55	A	C	-2.0692
56	G	C	-2.0685
57	K	C	-2.6208
58	T	C	0.0000
59	P	C	-1.9118
60	D	C	-2.8708
61	H	C	-2.3090
62	L	C	0.0000
63	F	C	-1.4731
64	K	C	-2.3479
65	V	C	-1.2428
66	F	C	-0.9140
67	A	C	-1.2971
68	E	C	-1.9318
69	L	C	0.0000
70	S	C	-1.7775
71	R	C	-2.7720
72	E	C	-2.7654
73	D	C	-1.5321
74	V	C	-0.0748
75	V	C	0.0000
76	V	C	1.3615
77	I	C	0.0000
78	K	C	-0.1286
79	G	C	0.0000
80	I	C	-0.5537
81	V	C	0.0041
82	E	C	-0.9116
83	A	C	-0.9013
84	S	C	-1.1512
85	K	C	-1.9011
86	G	C	-0.8325
87	V	C	0.5408
88	G	C	-0.9057
89	R	C	-1.8556
90	G	C	-0.9205
91	V	C	0.2541
92	E	C	0.1063
93	I	C	0.0000
94	F	C	-0.5102
95	P	C	0.0000
96	S	C	-1.3224
97	E	C	-0.6574
98	I	C	0.0000
99	W	C	1.3869
100	I	C	1.5643
101	L	C	1.7111
102	N	C	-0.3204
103	K	C	-1.3724
104	A	C	-0.5235