Project name: query_structure

Chain sequence(s)	A: VQLVESGGDLVQFGGSLRLSCAASAFTFSTYYMTWVRQPPGKGLEWVSGINSDGSTYYRDSVKGRFTISRDNAKNMLYLEMISLKPEDTAVYYCAGGAGNAWLFGDWGQGTMVTVSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -2.7313
• Maximal score value: 1.9337
• Average score: -0.3869
• Total score value: -45.2691

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	V	A	1.2917
2	Q	A	-0.1553
3	L	A	0.0000
4	V	A	0.4706
5	E	A	0.0000
6	S	A	-0.6783
7	G	A	-1.1214
8	G	A	-0.9385
9	D	A	-1.2050
10	L	A	0.7074
11	V	A	0.0661
12	Q	A	-0.2281
13	F	A	0.7988
14	G	A	-0.0031
15	G	A	0.1404
16	S	A	-0.5243
17	L	A	-1.2395
18	R	A	-2.4628
19	L	A	0.0000
20	S	A	-0.5513
21	C	A	0.0000
22	A	A	-0.2747
23	A	A	0.0000
24	S	A	-0.0020
25	A	A	0.4866
26	F	A	0.4838
27	T	A	0.0871
28	F	A	0.0000
29	S	A	-0.9286
30	T	A	-0.5072
31	Y	A	-0.3288
32	Y	A	-0.3834
33	M	A	0.0000
34	T	A	0.0000
35	W	A	0.0000
36	V	A	0.0000
37	R	A	0.0000
38	Q	A	-0.3423
39	P	A	0.0000
40	P	A	-1.1882
41	G	A	-1.4237
42	K	A	-2.0269
43	G	A	-0.8155
44	L	A	0.7146
45	E	A	0.1100
46	W	A	0.3062
47	V	A	0.0000
48	S	A	0.0000
49	G	A	0.0000
50	I	A	0.0000
51	N	A	-1.1337
52	S	A	-1.5151
53	D	A	-2.0949
54	G	A	-1.3304
55	S	A	-0.7039
56	T	A	0.0130
57	Y	A	0.2791
58	Y	A	-0.7754
59	R	A	-1.8294
60	D	A	-2.7313
61	S	A	-1.8762
62	V	A	0.0000
63	K	A	-2.7034
64	G	A	-1.6409
65	R	A	-1.0630
66	F	A	0.0000
67	T	A	-0.8682
68	I	A	0.0000
69	S	A	-0.5866
70	R	A	-0.9837
71	D	A	-1.4611
72	N	A	-1.7465
73	A	A	-1.4081
74	K	A	-2.2060
75	N	A	-1.5317
76	M	A	-0.8668
77	L	A	0.0000
78	Y	A	-0.7205
79	L	A	0.0000
80	E	A	-1.7841
81	M	A	0.0000
82	I	A	0.0355
83	S	A	-0.0155
84	L	A	0.0000
85	K	A	-1.0851
86	P	A	-1.1782
87	E	A	-1.9828
88	D	A	0.0000
89	T	A	-0.6978
90	A	A	0.0000
91	V	A	0.4299
92	Y	A	0.0000
93	Y	A	0.3911
94	C	A	0.0000
95	A	A	0.0000
96	G	A	0.0000
97	G	A	0.0000
98	A	A	-0.0348
99	G	A	-0.6786
100	N	A	-0.9108
101	A	A	0.4135
102	W	A	1.6424
103	L	A	1.9337
104	F	A	1.2546
105	G	A	0.6539
106	D	A	0.4342
107	W	A	0.4202
108	G	A	-0.0887
109	Q	A	-0.9566
110	G	A	0.0000
111	T	A	-0.1682
112	M	A	0.3194
113	V	A	0.0000
114	T	A	-0.0279
115	V	A	0.0000
116	S	A	-0.1030
117	S	A	-0.3351