Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVTQANMYWYRQAPGKEREWVAAIDSDGMYTHYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDFGWFFWDYDYWGQGTQVTVS
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.                                          (00:01:39)

• Minimal score value: -3.4413
• Maximal score value: 3.3789
• Average score: -0.6781
• Total score value: -81.3682

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	-1.4890
2	V	A	-0.8878
3	Q	A	-0.8885
4	L	A	0.0000
5	V	A	1.1927
6	E	A	0.0000
7	S	A	-0.5805
8	G	A	-1.0731
9	G	A	-0.8401
10	G	A	-0.0773
11	L	A	1.0124
12	V	A	0.0229
13	Q	A	-1.2022
14	A	A	-1.4130
15	G	A	-1.3638
16	G	A	-0.9405
17	S	A	-1.3731
18	L	A	-1.0701
19	R	A	-2.3425
20	L	A	0.0000
21	S	A	-0.4699
22	C	A	0.0000
23	A	A	-0.0709
24	A	A	0.0000
25	S	A	-0.7275
26	G	A	-1.0978
27	F	A	0.0000
28	P	A	-0.7999
29	V	A	0.0000
30	T	A	-1.2785
31	Q	A	-0.7523
32	A	A	0.0000
33	N	A	-1.3353
34	M	A	0.0000
35	Y	A	-0.0368
36	W	A	0.0000
37	Y	A	-0.3142
38	R	A	-1.1849
39	Q	A	-2.0339
40	A	A	-2.0326
41	P	A	-1.4355
42	G	A	-1.9448
43	K	A	-3.3137
44	E	A	-3.4413
45	R	A	-2.5318
46	E	A	-1.6564
47	W	A	-0.5495
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	D	A	-0.8308
53	S	A	-1.2369
54	D	A	-1.7217
55	G	A	-0.7103
56	M	A	0.9286
57	Y	A	1.0928
58	T	A	0.3014
59	H	A	-0.9401
60	Y	A	-1.2631
61	A	A	0.0000
62	D	A	-2.5024
63	S	A	-1.7361
64	V	A	0.0000
65	K	A	-2.7338
66	G	A	-1.8401
67	R	A	-1.6570
68	F	A	0.0000
69	T	A	-1.1773
70	I	A	0.0000
71	S	A	-0.5704
72	R	A	-1.5150
73	D	A	-1.9835
74	N	A	-2.5127
75	A	A	-1.7238
76	K	A	-2.4530
77	N	A	-1.8503
78	T	A	-1.1214
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.6583
83	M	A	0.0000
84	N	A	-1.8985
85	S	A	-1.3363
86	L	A	0.0000
87	K	A	-2.2342
88	P	A	-1.8881
89	E	A	-2.3113
90	D	A	0.0000
91	T	A	-0.9798
92	A	A	0.0000
93	V	A	-0.6653
94	Y	A	0.0000
95	Y	A	-0.1092
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-2.2380
100	D	A	-1.8662
101	F	A	0.2446
102	G	A	0.9499
103	W	A	2.5028
104	F	A	3.3789
105	F	A	3.2998
106	W	A	1.8201
107	D	A	-0.8782
108	Y	A	-0.0916
109	D	A	-1.6107
110	Y	A	-0.6077
111	W	A	0.0317
112	G	A	0.0368
113	Q	A	-0.9202
114	G	A	0.0000
115	T	A	0.0000
116	Q	A	-1.2155
117	V	A	0.0000
118	T	A	-0.3103
119	V	A	0.0000
120	S	A	-0.7355