Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVYATWMRWYRQAPGKEREWVAAIESMGQETWYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGDWFNYYDYWGQGTQVTVS
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:53)

• Minimal score value: -3.6987
• Maximal score value: 2.0132
• Average score: -0.6861
• Total score value: -82.3351

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	-1.4986
2	V	A	-0.9965
3	Q	A	-0.9884
4	L	A	0.0000
5	V	A	0.7781
6	E	A	0.0000
7	S	A	-0.6564
8	G	A	-1.0306
9	G	A	-0.8211
10	G	A	-0.0315
11	L	A	1.0118
12	V	A	-0.0073
13	Q	A	-1.2334
14	A	A	-1.4043
15	G	A	-1.3117
16	G	A	-0.8473
17	S	A	-1.1708
18	L	A	-0.8996
19	R	A	-2.1334
20	L	A	0.0000
21	S	A	-0.4384
22	C	A	0.0000
23	A	A	-0.1966
24	A	A	0.0000
25	S	A	-0.6962
26	G	A	-1.0301
27	F	A	-0.3808
28	P	A	-0.3878
29	V	A	0.0000
30	Y	A	0.6156
31	A	A	0.5137
32	T	A	0.0000
33	W	A	0.1184
34	M	A	0.0000
35	R	A	-0.1012
36	W	A	0.0000
37	Y	A	-0.7841
38	R	A	-1.5598
39	Q	A	-2.2563
40	A	A	-2.1311
41	P	A	-1.4030
42	G	A	-1.9253
43	K	A	-3.4538
44	E	A	-3.6987
45	R	A	-3.0201
46	E	A	-2.8111
47	W	A	-1.1894
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	-0.6264
53	S	A	0.1442
54	M	A	0.3515
55	G	A	-0.8676
56	Q	A	-1.7088
57	E	A	-1.7802
58	T	A	-0.8312
59	W	A	-0.3390
60	Y	A	-0.7234
61	A	A	-1.4318
62	D	A	-2.4196
63	S	A	-1.8099
64	V	A	0.0000
65	K	A	-2.5932
66	G	A	-1.7863
67	R	A	-1.4817
68	F	A	0.0000
69	T	A	-0.8179
70	I	A	0.0000
71	S	A	-0.8591
72	R	A	-0.9915
73	D	A	-1.7529
74	N	A	-1.9358
75	A	A	-1.6255
76	K	A	-2.4662
77	N	A	-1.6648
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.6798
81	L	A	0.0000
82	Q	A	-1.2545
83	M	A	0.0000
84	N	A	-1.3553
85	S	A	-1.1792
86	L	A	0.0000
87	K	A	-2.3155
88	P	A	-1.9165
89	E	A	-2.3536
90	D	A	0.0000
91	T	A	-0.9736
92	A	A	0.0000
93	V	A	-0.6145
94	Y	A	0.0000
95	Y	A	-0.3636
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.1654
100	D	A	-0.1578
101	Y	A	0.7762
102	G	A	-0.0967
103	D	A	-0.9309
104	W	A	1.1391
105	F	A	2.0132
106	N	A	0.3480
107	Y	A	1.2693
108	Y	A	0.9342
109	D	A	-0.8361
110	Y	A	-0.2589
111	W	A	0.0133
112	G	A	-0.0880
113	Q	A	-1.0110
114	G	A	-0.5470
115	T	A	0.0000
116	Q	A	-1.1892
117	V	A	0.0000
118	T	A	-0.3110
119	V	A	0.0000
120	S	A	-0.7561