Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCSASGFPVWESYMAWYRQAPGKEREWVAAIDSHGEKTYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDNGNVWWAWYDYWGQGTQVTVS
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:24)

• Minimal score value: -3.5434
• Maximal score value: 1.3179
• Average score: -0.8462
• Total score value: -102.39

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	-1.5274
2	V	A	-0.8198
3	Q	A	-1.0154
4	L	A	0.0000
5	V	A	0.9520
6	E	A	0.0000
7	S	A	-0.6167
8	G	A	-1.0335
9	G	A	-0.8321
10	G	A	-0.0689
11	L	A	0.9267
12	V	A	0.0000
13	Q	A	-1.3553
14	A	A	-1.5302
15	G	A	-1.4108
16	G	A	-0.9416
17	S	A	-1.2450
18	L	A	-0.9410
19	R	A	-2.1397
20	L	A	0.0000
21	S	A	-0.5270
22	C	A	0.0000
23	S	A	-0.3427
24	A	A	0.0000
25	S	A	-0.7883
26	G	A	-1.0680
27	F	A	0.0000
28	P	A	-0.4359
29	V	A	0.0000
30	W	A	-0.1383
31	E	A	-0.2839
32	S	A	0.0000
33	Y	A	-1.0528
34	M	A	0.0000
35	A	A	0.0000
36	W	A	0.0000
37	Y	A	-0.3250
38	R	A	0.0000
39	Q	A	-2.0477
40	A	A	-2.0138
41	P	A	-1.4269
42	G	A	-1.9748
43	K	A	-3.3610
44	E	A	-3.5434
45	R	A	-2.7091
46	E	A	-1.7539
47	W	A	-0.4472
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	D	A	-1.5366
53	S	A	-1.2833
54	H	A	-1.9532
55	G	A	-2.2921
56	E	A	-3.0836
57	K	A	-2.7562
58	T	A	-1.0365
59	Y	A	-0.1882
60	Y	A	-0.5861
61	A	A	-1.2328
62	D	A	-2.3838
63	S	A	-1.7959
64	V	A	0.0000
65	K	A	-2.5700
66	G	A	-1.7961
67	R	A	-1.5305
68	F	A	0.0000
69	T	A	-0.8012
70	I	A	0.0000
71	S	A	-1.2785
72	R	A	-1.9618
73	D	A	-2.2029
74	N	A	-2.3793
75	A	A	-1.6860
76	K	A	-2.5966
77	N	A	-1.8395
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.9198
81	L	A	0.0000
82	Q	A	-1.2651
83	M	A	0.0000
84	N	A	-1.4167
85	S	A	-1.2672
86	L	A	0.0000
87	K	A	-2.6062
88	P	A	-2.0500
89	E	A	-2.4392
90	D	A	0.0000
91	T	A	-1.0122
92	A	A	0.0000
93	V	A	-0.5585
94	Y	A	0.0000
95	Y	A	-0.1428
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.6555
100	D	A	-2.2284
101	N	A	-1.9158
102	G	A	-1.4347
103	N	A	-1.4732
104	V	A	-0.1598
105	W	A	1.3179
106	W	A	0.7058
107	A	A	0.0000
108	W	A	1.0006
109	Y	A	0.9448
110	D	A	-1.2159
111	Y	A	-0.5008
112	W	A	-0.0933
113	G	A	-0.1068
114	Q	A	-0.9339
115	G	A	0.0000
116	T	A	0.0000
117	Q	A	-1.1452
118	V	A	0.0000
119	T	A	-0.3797
120	V	A	0.0000
121	S	A	-0.8293