Project name: query_structure

Chain sequence(s)	A: QVQLQESGGGLVQPGGSLRLSCVASGSFLDYYGIGWFRQAPGKEREGVAYRRDSDDSTYYADSVAGRFTIYRDSATNTVYLQMDNLRPEDTAVYSCAATLRVGNSWRDESLYDYWGQGTQVTVSS
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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:32)

• Minimal score value: -3.8264
• Maximal score value: 1.0098
• Average score: -0.8439
• Total score value: -105.4851

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	-1.2541
2	V	A	-0.7286
3	Q	A	-1.3494
4	L	A	0.0000
5	Q	A	-0.9403
6	E	A	0.0000
7	S	A	-0.9443
8	G	A	-0.9941
9	G	A	-0.7622
10	G	A	-0.0418
11	L	A	1.0098
12	V	A	-0.1080
13	Q	A	-1.5513
14	P	A	-2.0057
15	G	A	-2.0083
16	G	A	-1.3577
17	S	A	-1.5894
18	L	A	-1.0310
19	R	A	-2.0289
20	L	A	0.0000
21	S	A	-0.4567
22	C	A	0.0000
23	V	A	0.3065
24	A	A	0.0000
25	S	A	-0.6597
26	G	A	-0.5157
27	S	A	-0.1527
28	F	A	0.0000
29	L	A	0.1745
30	D	A	-1.3332
31	Y	A	0.0000
32	Y	A	-0.9263
33	G	A	0.0000
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	-0.4149
38	R	A	-1.4812
39	Q	A	-2.4332
40	A	A	-2.1656
41	P	A	-1.5051
42	G	A	-2.0633
43	K	A	-3.5213
44	E	A	-3.8264
45	R	A	-3.1891
46	E	A	-2.1111
47	G	A	-0.7136
48	V	A	0.0000
49	A	A	0.0000
50	Y	A	0.1016
51	R	A	-1.2786
52	R	A	-2.3076
53	D	A	-2.9729
54	S	A	-2.7074
55	D	A	-3.3734
56	D	A	-3.3844
57	S	A	-1.9586
58	T	A	-0.5926
59	Y	A	0.4267
60	Y	A	0.1552
61	A	A	0.0000
62	D	A	-1.7027
63	S	A	-1.2981
64	V	A	0.0000
65	A	A	-0.7086
66	G	A	-1.0252
67	R	A	-1.2490
68	F	A	0.0000
69	T	A	-0.2340
70	I	A	0.0000
71	Y	A	0.0886
72	R	A	-0.6651
73	D	A	-0.7630
74	S	A	-0.4341
75	A	A	-0.4248
76	T	A	-0.3111
77	N	A	-0.2139
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.1825
81	L	A	0.0000
82	Q	A	-0.9202
83	M	A	0.0000
84	D	A	-2.0730
85	N	A	-2.5137
86	L	A	0.0000
87	R	A	-3.2053
88	P	A	-2.2207
89	E	A	-2.5412
90	D	A	0.0000
91	T	A	-1.0500
92	A	A	0.0000
93	V	A	-0.4886
94	Y	A	0.0000
95	S	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	A	A	0.0000
99	T	A	0.0000
100	L	A	-0.2650
101	R	A	-1.4234
102	V	A	0.3957
103	G	A	-0.5575
104	N	A	-1.2623
105	S	A	-0.5513
106	W	A	-0.1731
107	R	A	-1.0945
108	D	A	-2.4261
109	E	A	-2.4223
110	S	A	-1.4364
111	L	A	-0.3681
112	Y	A	-0.2683
113	D	A	-0.1903
114	Y	A	0.0674
115	W	A	-0.1096
116	G	A	-0.6635
117	Q	A	-1.4030
118	G	A	-0.9858
119	T	A	-1.0030
120	Q	A	-0.9979
121	V	A	0.0000
122	T	A	-0.3380
123	V	A	0.0000
124	S	A	-0.8006
125	S	A	-0.5066