Project name: query_structure

Chain sequence(s)	A: QLQLVESGGGLVQAGGSLRLSCAASGSTLSIHSFGWYRQAPGKQREAVATITNGGAPTYTDSVKGRFNIFRDYRENTAYLQMNTLKPEDTAVYYCRVLFGVDGRAWGQGTQVTISS
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                                          (00:01:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.1701
• Maximal score value: 1.7639
• Average score: -0.7452
• Total score value: -86.4463

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	Q	A	-1.5211
2	L	A	-1.2400
3	Q	A	-1.3801
4	L	A	0.0000
5	V	A	0.5657
6	E	A	-0.1989
7	S	A	-0.6076
8	G	A	-0.9893
9	G	A	-0.7704
10	G	A	-0.0122
11	L	A	1.1088
12	V	A	0.1230
13	Q	A	-1.1591
14	A	A	-1.3562
15	G	A	-1.2451
16	G	A	-0.9880
17	S	A	-1.1176
18	L	A	-0.9425
19	R	A	-2.0555
20	L	A	0.0000
21	S	A	-0.2286
22	C	A	0.0000
23	A	A	-0.3275
24	A	A	-0.5478
25	S	A	-1.0147
26	G	A	-1.1180
27	S	A	-0.6531
28	T	A	-0.1743
29	L	A	0.8874
30	S	A	0.2785
31	I	A	0.0000
32	H	A	-0.3050
33	S	A	-0.7167
34	F	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	Y	A	-0.9155
38	R	A	-1.5556
39	Q	A	-2.1819
40	A	A	-2.0131
41	P	A	-1.3054
42	G	A	-1.8085
43	K	A	-3.1701
44	Q	A	-3.1241
45	R	A	-2.7650
46	E	A	-2.8117
47	A	A	-1.2386
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.1263
51	I	A	-0.0029
52	T	A	-0.6847
53	N	A	-1.5882
54	G	A	-1.2183
55	G	A	-0.8160
56	A	A	-0.1275
57	P	A	-0.0203
58	T	A	-0.4959
59	Y	A	-1.0122
60	T	A	-1.6159
61	D	A	-2.4918
62	S	A	-1.8108
63	V	A	0.0000
64	K	A	-2.7152
65	G	A	-1.8305
66	R	A	-1.4898
67	F	A	0.0000
68	N	A	-0.7635
69	I	A	0.0000
70	F	A	1.7639
71	R	A	0.2173
72	D	A	-0.4859
73	Y	A	-0.4054
74	R	A	-2.2811
75	E	A	-2.5687
76	N	A	-1.4049
77	T	A	0.0000
78	A	A	0.0000
79	Y	A	0.1523
80	L	A	0.0000
81	Q	A	-0.9159
82	M	A	0.0000
83	N	A	-1.2780
84	T	A	-1.0277
85	L	A	0.0000
86	K	A	-2.1012
87	P	A	-1.7411
88	E	A	-2.2309
89	D	A	0.0000
90	T	A	-0.8511
91	A	A	0.0000
92	V	A	-0.4467
93	Y	A	0.0000
94	Y	A	-0.5812
95	C	A	0.0000
96	R	A	-0.8020
97	V	A	0.0000
98	L	A	-0.1778
99	F	A	0.0321
100	G	A	0.3613
101	V	A	0.8252
102	D	A	-1.2446
103	G	A	-1.0356
104	R	A	-1.7957
105	A	A	-1.0210
106	W	A	-0.3429
107	G	A	-0.4447
108	Q	A	-1.1684
109	G	A	-0.7266
110	T	A	-0.8143
111	Q	A	-1.1407
112	V	A	0.0000
113	T	A	-0.1754
114	I	A	0.0000
115	S	A	-0.6547
116	S	A	-0.7816