Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQPGGSLTLSCTASGFTLDHYDIGWFRQAPGKEREGVSCINNSDDDTYYADSVKGRFTIFMNNAKDTVYLQMNSLKPEDTAIYYCAEARGCKRGSYEYDFWGQGTQVTVSSKKK
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.8426
• Maximal score value: 1.1841
• Average score: -1.0158
• Total score value: -126.9736

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	-1.1555
2	V	A	-0.0880
3	Q	A	-0.5928
4	L	A	0.0000
5	V	A	0.3287
6	E	A	0.0000
7	S	A	-0.5263
8	G	A	-0.4971
9	G	A	-0.4586
10	G	A	0.1312
11	L	A	1.1841
12	V	A	0.3474
13	Q	A	-1.6017
14	P	A	-2.0649
15	G	A	-1.3429
16	G	A	-0.6547
17	S	A	-0.6953
18	L	A	-0.0065
19	T	A	-0.3302
20	L	A	0.0000
21	S	A	0.0701
22	C	A	0.0000
23	T	A	-0.4258
24	A	A	0.0000
25	S	A	-0.4611
26	G	A	-0.6079
27	F	A	-0.2926
28	T	A	-0.9458
29	L	A	0.0000
30	D	A	-1.9682
31	H	A	-2.0447
32	Y	A	-1.1081
33	D	A	0.0000
34	I	A	0.0000
35	G	A	0.0000
36	W	A	0.0000
37	F	A	0.0000
38	R	A	-1.5485
39	Q	A	-2.2782
40	A	A	-2.0690
41	P	A	-1.4389
42	G	A	-2.0001
43	K	A	-3.4685
44	E	A	-3.8426
45	R	A	-3.3528
46	E	A	-2.3639
47	G	A	-1.0625
48	V	A	0.0000
49	S	A	0.0000
50	C	A	0.0000
51	I	A	0.0000
52	N	A	-2.6355
53	N	A	-2.4291
54	S	A	-2.4719
55	D	A	-3.6190
56	D	A	-3.5946
57	D	A	-3.4004
58	T	A	-1.5669
59	Y	A	-1.1831
60	Y	A	-0.8064
61	A	A	0.0000
62	D	A	-2.4358
63	S	A	-1.7854
64	V	A	0.0000
65	K	A	-2.5745
66	G	A	-1.7341
67	R	A	-1.3008
68	F	A	0.0000
69	T	A	-0.3677
70	I	A	0.0000
71	F	A	0.3762
72	M	A	-0.5056
73	N	A	-1.3833
74	N	A	-2.1357
75	A	A	-1.5504
76	K	A	-2.3506
77	D	A	-1.8922
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.2393
81	L	A	0.0000
82	Q	A	-0.3846
83	M	A	0.0000
84	N	A	-1.0385
85	S	A	-1.0813
86	L	A	0.0000
87	K	A	-1.9480
88	P	A	-1.8648
89	E	A	-2.2378
90	D	A	0.0000
91	T	A	-0.8552
92	A	A	0.0000
93	I	A	-0.5552
94	Y	A	0.0000
95	Y	A	0.0000
96	C	A	0.0000
97	A	A	0.0000
98	E	A	0.0000
99	A	A	0.0000
100	R	A	-2.5846
101	G	A	-2.1403
102	C	A	-1.6788
103	K	A	-2.7328
104	R	A	-2.6605
105	G	A	-1.8047
106	S	A	-1.3611
107	Y	A	-0.8876
108	E	A	-1.9579
109	Y	A	-1.1700
110	D	A	-1.6603
111	F	A	0.0587
112	W	A	0.2881
113	G	A	-0.1390
114	Q	A	-0.9228
115	G	A	-0.6865
116	T	A	0.0000
117	Q	A	-1.0187
118	V	A	0.0000
119	T	A	-0.1409
120	V	A	0.0000
121	S	A	-1.3603
122	S	A	-2.1464
123	K	A	-3.2546
124	K	A	-3.5879
125	K	A	-3.1196