Project name: query_structure

Chain sequence(s)	A: QVQLVESGGGLVQAGGSLRLSSAASGFPVEVWRMEWYRQAPGKEREGVAAIESYGHGTRYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYSNVKDDGQLAYHYDYWGQGTQVTVSAG
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                                          (00:01:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -3.7781
• Maximal score value: 1.2757
• Average score: -0.841
• Total score value: -102.5996

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	-1.3552
2	V	A	-0.5872
3	Q	A	-0.5468
4	L	A	0.0000
5	V	A	1.2757
6	E	A	0.0000
7	S	A	-0.5527
8	G	A	-1.0332
9	G	A	-0.8107
10	G	A	-0.0516
11	L	A	1.0427
12	V	A	0.0481
13	Q	A	-1.2714
14	A	A	-1.4650
15	G	A	-1.3168
16	G	A	-0.8804
17	S	A	-1.0464
18	L	A	-0.8953
19	R	A	-2.0992
20	L	A	0.0000
21	S	A	-0.3647
22	S	A	0.0000
23	A	A	-0.0406
24	A	A	0.0000
25	S	A	-0.5034
26	G	A	-0.8751
27	F	A	-0.4323
28	P	A	-0.8374
29	V	A	0.0000
30	E	A	-0.8825
31	V	A	-0.3410
32	W	A	0.0000
33	R	A	-1.2181
34	M	A	0.0000
35	E	A	0.0000
36	W	A	0.0000
37	Y	A	-0.7328
38	R	A	-1.4525
39	Q	A	-2.2602
40	A	A	-2.0987
41	P	A	-1.4650
42	G	A	-2.0047
43	K	A	-3.4358
44	E	A	-3.7781
45	R	A	-3.2315
46	E	A	-2.1182
47	G	A	-1.3872
48	V	A	0.0000
49	A	A	0.0000
50	A	A	0.0000
51	I	A	0.0000
52	E	A	-1.5137
53	S	A	0.0000
54	Y	A	0.1512
55	G	A	-0.8005
56	H	A	-1.0924
57	G	A	-1.2172
58	T	A	-1.4186
59	R	A	-2.2897
60	Y	A	-1.7280
61	A	A	-1.8278
62	D	A	-2.6530
63	S	A	-1.7974
64	V	A	0.0000
65	K	A	-2.8277
66	G	A	-1.7780
67	R	A	-1.4958
68	F	A	0.0000
69	T	A	-1.0717
70	I	A	0.0000
71	S	A	-0.5601
72	R	A	-1.1391
73	D	A	-1.8581
74	N	A	-1.9533
75	A	A	-1.6041
76	K	A	-2.3215
77	N	A	-1.8510
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	0.0000
81	L	A	0.0000
82	Q	A	-1.2334
83	M	A	0.0000
84	N	A	-1.4760
85	S	A	-1.2593
86	L	A	0.0000
87	K	A	-2.2474
88	P	A	-1.8073
89	E	A	-2.2683
90	D	A	0.0000
91	T	A	-0.9299
92	A	A	0.0000
93	V	A	-0.7278
94	Y	A	0.0000
95	Y	A	-0.2864
96	S	A	0.0000
97	N	A	0.0000
98	V	A	0.0000
99	K	A	-1.3547
100	D	A	-1.5393
101	D	A	-1.7359
102	G	A	-1.4016
103	Q	A	-1.3465
104	L	A	-0.2386
105	A	A	0.2764
106	Y	A	0.5938
107	H	A	-0.7314
108	Y	A	-0.3482
109	D	A	-1.4821
110	Y	A	-0.5009
111	W	A	0.0508
112	G	A	0.0770
113	Q	A	-0.7157
114	G	A	-0.4923
115	T	A	0.0000
116	Q	A	-1.0905
117	V	A	0.0000
118	T	A	-0.2521
119	V	A	0.0000
120	S	A	-0.7685
121	A	A	-0.9587
122	G	A	-0.7521