Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVEYNTMYWYRQAPGKEREWVATIESWGWFTWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCEVGVGHNYAGRGTQVTVS
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                                          (00:02:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:41)

• Minimal score value: -3.6937
• Maximal score value: 2.6536
• Average score: -0.5486
• Total score value: -62.5456

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	-1.3758
2	V	A	-0.7818
3	Q	A	-0.7241
4	L	A	0.0000
5	V	A	0.7716
6	E	A	0.0000
7	S	A	-0.7103
8	G	A	-1.0676
9	G	A	-0.8387
10	G	A	-0.1178
11	L	A	0.9240
12	V	A	0.0000
13	Q	A	-1.2645
14	A	A	-1.3994
15	G	A	-1.3191
16	G	A	-0.9027
17	S	A	-1.2361
18	L	A	-1.0713
19	R	A	-2.1729
20	L	A	0.0000
21	S	A	-0.4611
22	C	A	0.0000
23	A	A	-0.1088
24	A	A	0.0000
25	S	A	-0.6328
26	G	A	-1.0609
27	F	A	0.0000
28	P	A	-0.5394
29	V	A	0.0000
30	E	A	-0.0466
31	Y	A	1.0578
32	N	A	0.5651
33	T	A	0.5720
34	M	A	0.0000
35	Y	A	0.2937
36	W	A	0.0000
37	Y	A	-0.0875
38	R	A	0.0000
39	Q	A	-1.9859
40	A	A	-1.9428
41	P	A	-1.3847
42	G	A	-1.8994
43	K	A	-3.1749
44	E	A	-3.6937
45	R	A	-3.2183
46	E	A	-1.6964
47	W	A	-0.4241
48	V	A	0.0000
49	A	A	0.0000
50	T	A	0.0000
51	I	A	0.0000
52	E	A	0.9559
53	S	A	1.0011
54	W	A	1.3366
55	G	A	1.1005
56	W	A	2.2042
57	F	A	2.6536
58	T	A	1.5106
59	W	A	0.8484
60	Y	A	-0.4891
61	A	A	0.0000
62	D	A	-2.3134
63	S	A	-1.7129
64	V	A	0.0000
65	K	A	-2.5203
66	G	A	-1.8071
67	R	A	-1.5173
68	F	A	0.0000
69	T	A	-0.7954
70	I	A	0.0000
71	S	A	-0.5307
72	R	A	-1.0691
73	D	A	-1.7837
74	N	A	-1.6985
75	A	A	-1.5294
76	K	A	-2.3035
77	N	A	-1.7866
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.2776
83	M	A	0.0000
84	N	A	-1.4568
85	S	A	-1.1994
86	L	A	0.0000
87	K	A	-2.1945
88	P	A	-1.8665
89	E	A	-2.2902
90	D	A	0.0000
91	T	A	-0.9116
92	A	A	0.0000
93	V	A	-0.6088
94	Y	A	0.0000
95	Y	A	-0.4132
96	C	A	0.0000
97	E	A	-0.5142
98	V	A	0.0000
99	G	A	0.1512
100	V	A	1.1046
101	G	A	-0.1508
102	H	A	-0.8312
103	N	A	-1.1017
104	Y	A	-0.5879
105	A	A	-0.5070
106	G	A	-0.5668
107	R	A	-1.6564
108	G	A	0.0000
109	T	A	0.0000
110	Q	A	-1.1844
111	V	A	0.0000
112	T	A	-0.3207
113	V	A	0.0000
114	S	A	-0.7604