Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSCAASGFPVWKEWMHWYRQAPGKEREWVAAIDSTGHKTAYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNVKDYGYVWAAYDYWGQGTQVTVS
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                                          (00:01:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:36)

• Minimal score value: -3.9106
• Maximal score value: 2.8673
• Average score: -0.6779
• Total score value: -81.3526

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	-1.4270
2	V	A	-0.6965
3	Q	A	-0.8913
4	L	A	0.0000
5	V	A	1.2093
6	E	A	0.0000
7	S	A	-0.5478
8	G	A	-1.0398
9	G	A	-0.8465
10	G	A	-0.0455
11	L	A	1.0091
12	V	A	-0.0083
13	Q	A	-1.2277
14	A	A	-1.3967
15	G	A	-1.3171
16	G	A	-0.8623
17	S	A	-1.2052
18	L	A	-0.9196
19	R	A	-2.1363
20	L	A	0.0000
21	S	A	-0.3330
22	C	A	0.0000
23	A	A	-0.0542
24	A	A	0.0000
25	S	A	-0.6633
26	G	A	-0.7859
27	F	A	0.0908
28	P	A	-0.0752
29	V	A	0.0000
30	W	A	-0.4981
31	K	A	-1.3187
32	E	A	-0.6535
33	W	A	-0.1209
34	M	A	0.0000
35	H	A	0.0000
36	W	A	0.0000
37	Y	A	-0.8928
38	R	A	-1.7659
39	Q	A	-2.5025
40	A	A	-2.2603
41	P	A	-1.4628
42	G	A	-1.9700
43	K	A	-3.5579
44	E	A	-3.9106
45	R	A	-3.4471
46	E	A	-3.0602
47	W	A	-1.2615
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	D	A	0.0000
53	S	A	-0.9429
54	T	A	-1.1154
55	G	A	-1.2993
56	H	A	-1.9860
57	K	A	-2.2198
58	T	A	-1.0528
59	A	A	-0.6980
60	Y	A	-0.8574
61	A	A	-1.5140
62	D	A	-2.4556
63	S	A	-1.8139
64	V	A	0.0000
65	K	A	-2.6455
66	G	A	-1.8073
67	R	A	-1.5209
68	F	A	0.0000
69	T	A	-0.8722
70	I	A	0.0000
71	S	A	-0.7850
72	R	A	-1.0608
73	D	A	-1.5566
74	N	A	-1.6161
75	A	A	-1.2571
76	K	A	-2.1464
77	N	A	-1.2654
78	T	A	-0.7894
79	V	A	0.0000
80	Y	A	-0.6558
81	L	A	0.0000
82	Q	A	-1.2452
83	M	A	0.0000
84	N	A	-1.4235
85	S	A	-1.2055
86	L	A	0.0000
87	K	A	-2.2957
88	P	A	-1.9077
89	E	A	-2.3452
90	D	A	0.0000
91	T	A	-0.9923
92	A	A	0.0000
93	V	A	-0.7615
94	Y	A	0.0000
95	Y	A	-0.3657
96	C	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-0.2914
100	D	A	-0.0678
101	Y	A	1.1736
102	G	A	1.1784
103	Y	A	2.3485
104	V	A	2.8673
105	W	A	2.3188
106	A	A	1.3622
107	A	A	0.9586
108	Y	A	0.6929
109	D	A	-0.6522
110	Y	A	-0.2636
111	W	A	0.0865
112	G	A	0.0041
113	Q	A	-0.9206
114	G	A	-0.5228
115	T	A	0.0000
116	Q	A	-1.2298
117	V	A	0.0000
118	T	A	-0.3182
119	V	A	0.0000
120	S	A	-0.7484