Project name: query_structure

Chain sequence(s)	A: VQLVVESGGGLLVVQQPGGSLTLSCTASGFTLDHYDIGWFRQAPGKKEREEGVSSCINNSDDDTYYADSVKKGGRFTTIFMNNAKDTVYLQMMNSLKKPEEDTAIYYCAEARGCKRGRYYEYDFWGQQGTQVTVSSS; B: DRRKAAVSHWQ
Selected Chain(s)	A,B
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 all 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.                                          (00:01:37)

• Minimal score value: -3.6149
• Maximal score value: 1.1629
• Average score: -0.935
• Total score value: -122.4894

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
2	V	A	0.2370
3	Q	A	-0.5856
4	L	A	0.0000
5	V	A	0.3120
6	E	A	0.0000
7	S	A	-0.5120
8	G	A	-0.6308
9	G	A	-0.4419
10	G	A	0.1549
11	L	A	0.9984
12	V	A	0.0340
13	Q	A	-1.2304
14	P	A	-1.4092
15	G	A	-1.2945
16	G	A	-0.8630
17	S	A	-0.6669
18	L	A	-0.0644
19	T	A	-0.2724
20	L	A	0.0000
21	S	A	0.0247
22	C	A	0.0000
23	T	A	0.0008
24	A	A	0.0000
25	S	A	0.0500
26	G	A	0.0882
27	F	A	1.1629
28	T	A	-0.1654
29	L	A	0.0000
30	D	A	-1.7724
31	H	A	-1.7424
32	Y	A	-1.0237
33	D	A	-1.8379
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	0.0000
39	Q	A	-1.4245
40	A	A	-1.6716
41	P	A	-1.4651
42	G	A	-1.7821
43	K	A	-2.8844
44	E	A	-2.5966
45	R	A	0.0000
46	E	A	-1.4508
47	G	A	0.0000
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	N	A	0.0000
53	N	A	-2.3199
54	S	A	-2.4157
55	D	A	-3.4067
56	D	A	-3.4874
57	D	A	-2.9481
58	T	A	-1.3186
59	Y	A	-1.4017
60	Y	A	-1.4856
61	A	A	0.0000
62	D	A	-2.8570
63	S	A	-1.8322
64	V	A	0.0000
65	K	A	-2.7665
66	G	A	-1.8112
67	R	A	-1.4423
68	F	A	0.0000
69	T	A	-0.4439
70	I	A	0.0000
71	F	A	0.2778
72	M	A	-0.6925
73	N	A	-1.5319
74	N	A	-2.0116
75	A	A	-1.4050
76	K	A	-1.8986
77	D	A	-1.0186
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.1484
81	L	A	0.0000
82	Q	A	-0.3460
83	M	A	0.0000
84	N	A	-1.2741
85	S	A	-1.1380
86	L	A	0.0000
87	K	A	-1.8435
88	P	A	-1.7097
89	E	A	-2.2169
90	D	A	0.0000
91	T	A	-0.7969
92	A	A	0.0000
93	I	A	-0.3176
94	Y	A	0.0000
95	Y	A	-0.0795
96	C	A	0.0000
97	A	A	0.0000
98	E	A	-0.8647
99	A	A	0.0000
100	R	A	-2.4402
101	G	A	-2.4362
102	C	A	0.0000
103	K	A	-3.3214
104	R	A	-3.0497
105	G	A	-2.1638
106	R	A	-2.8061
107	Y	A	-1.9793
108	E	A	-2.9943
109	Y	A	0.0000
110	D	A	-2.1722
111	F	A	0.0000
112	W	A	-0.7755
113	G	A	-0.6501
114	Q	A	-1.3058
115	G	A	-0.6395
116	T	A	-0.7983
117	Q	A	-1.0939
118	V	A	0.0000
119	T	A	-0.2056
120	V	A	0.0000
121	S	A	-0.6992
122	S	A	-0.6130
2	D	B	-3.2595
3	R	B	-3.6149
4	K	B	-3.0267
5	A	B	-2.3772
6	A	B	0.0000
7	V	B	-1.8260
8	S	B	0.0000
9	H	B	-2.4738
10	W	B	0.0000
11	Q	B	-2.3864