Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVQSRSMYWYRQAPGKEREWVAAIFSIGTTTEYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGMWWWAYDYWGQGTQVTVS
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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -3.6199
• Maximal score value: 2.8581
• Average score: -0.5326
• Total score value: -63.9095

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	-1.4337
2	V	A	-0.7540
3	Q	A	-0.7294
4	L	A	0.0000
5	V	A	1.2926
6	E	A	0.0000
7	S	A	-0.5596
8	G	A	-1.2065
9	G	A	-0.8485
10	G	A	-0.0777
11	L	A	1.0516
12	V	A	0.0051
13	Q	A	-1.2410
14	A	A	-1.4548
15	G	A	-1.3725
16	G	A	-0.9117
17	S	A	-1.2351
18	L	A	-0.9241
19	R	A	-2.1424
20	L	A	0.0000
21	S	A	-0.3613
22	C	A	0.0000
23	A	A	0.0132
24	A	A	0.0000
25	S	A	-0.5940
26	G	A	-1.0120
27	F	A	0.0000
28	P	A	-1.2273
29	V	A	0.0000
30	Q	A	-1.0847
31	S	A	-0.4755
32	R	A	-0.1938
33	S	A	0.1637
34	M	A	0.0000
35	Y	A	0.0000
36	W	A	0.0000
37	Y	A	-0.4580
38	R	A	-1.3153
39	Q	A	-2.1713
40	A	A	-2.0820
41	P	A	-1.4686
42	G	A	-1.9808
43	K	A	-3.3913
44	E	A	-3.6199
45	R	A	-2.8926
46	E	A	-1.8322
47	W	A	-0.6537
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	F	A	0.5532
53	S	A	0.6700
54	I	A	1.4051
55	G	A	0.3314
56	T	A	0.5564
57	T	A	0.0724
58	T	A	-0.5586
59	E	A	-1.5050
60	Y	A	-1.4759
61	A	A	0.0000
62	D	A	-2.5640
63	S	A	-1.7271
64	V	A	0.0000
65	K	A	-2.7972
66	G	A	-1.8065
67	R	A	-1.5373
68	F	A	0.0000
69	T	A	-1.0215
70	I	A	0.0000
71	S	A	-0.5546
72	R	A	-1.1646
73	D	A	-2.0937
74	N	A	-2.4050
75	A	A	-1.8447
76	K	A	-2.4551
77	N	A	-2.0193
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6714
81	L	A	0.0000
82	Q	A	-1.2404
83	M	A	0.0000
84	N	A	-1.5051
85	S	A	-1.2835
86	L	A	0.0000
87	K	A	-2.4202
88	P	A	-1.9513
89	E	A	-2.3704
90	D	A	0.0000
91	T	A	-1.0053
92	A	A	0.0000
93	V	A	-0.7333
94	Y	A	0.0000
95	Y	A	-0.1981
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.1985
100	D	A	0.3997
101	Y	A	1.8729
102	G	A	1.7350
103	M	A	2.2055
104	W	A	2.7250
105	W	A	2.8581
106	W	A	2.4666
107	A	A	1.5236
108	Y	A	0.8652
109	D	A	-0.4035
110	Y	A	-0.0337
111	W	A	0.2328
112	G	A	0.0851
113	Q	A	-0.9223
114	G	A	-0.5020
115	T	A	0.0000
116	Q	A	-1.2318
117	V	A	0.0000
118	T	A	-0.3273
119	V	A	0.0000
120	S	A	-0.7602