Project name: 3G11 [mutate: GH44E, LH45R, VH37Y] [mutate: LH108Q, LH11V]

Status: done

submitted: 2019-03-28 08:09:09, status changed: 2019-03-28 08:14:17
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWYRQAPGKEREWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LH108Q, LH11V
Energy difference between WT (input) and mutated protein (by FoldX) 1.06196 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.9692
Maximal score value
1.4834
Average score
-0.5976
Total score value
-72.9114

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
residue index residue name chain Aggrescan3D score
mutation
1 E H -1.9926
2 V H -1.0145
3 Q H -0.8844
4 L H 0.0000
5 L H 0.8015
6 E H 0.0000
7 S H -0.6851
8 G H -0.9594
9 G H -0.7524
10 G H 0.2656
11 V H 1.2378 mutated: LH11V
12 V H 0.0843
13 Q H -1.2721
14 P H -1.3802
15 G H -1.4014
16 G H -1.1051
17 S H -1.0994
18 L H -0.9542
19 R H -2.1207
20 L H 0.0000
21 S H -0.4996
22 C H 0.0000
23 A H -0.1827
24 A H 0.0000
25 S H -0.5682
26 G H -0.9946
27 F H -0.2509
28 M H -0.2505
29 L H 0.0000
30 S H -0.2531
31 A H 0.1050
32 E H 0.0373
33 D H 0.2332
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 Y H 0.0481
38 R H 0.0000
39 Q H -2.2746
40 A H -2.1791
41 P H -1.4408
42 G H -1.8529
43 K H -3.4868
44 E H -3.9692
45 R H -3.2505
46 E H -1.8352
47 W H 0.3203
48 V H 0.0000
49 S H 0.0000
50 A H 0.5961
51 I H 0.0000
52 L H 0.5598
52A D H 0.3652
53 F H 1.4834
54 G H 0.3396
55 G H -0.0245
56 S H 0.2131
57 T H 0.3929
58 Y H 0.6902
59 Y H -0.2198
60 A H 0.0000
61 D H -2.3747
62 S H -1.5985
63 V H 0.0000
64 K H -2.5006
65 G H -1.7874
66 R H -1.6205
67 F H 0.0000
68 T H -0.7663
69 I H 0.0000
70 S H -0.5770
71 R H -1.3058
72 D H -2.0658
73 N H -2.3445
74 S H -1.9072
75 K H -2.4891
76 N H -1.7432
77 T H 0.0000
78 L H 0.0000
79 Y H -0.6549
80 L H 0.0000
81 Q H -1.3457
82 M H 0.0000
82A N H -1.4842
82B S H -1.2878
82C L H 0.0000
83 R H -2.5308
84 A H -1.8054
85 E H -2.3192
86 D H 0.0000
87 T H -0.9464
88 A H 0.0000
89 V H -0.7640
90 Y H 0.0000
91 Y H -0.0601
92 C H 0.0000
93 A H 0.0000
94 R H -0.1833
95 V H 0.4691
96 V H 0.6812
97 Y H 0.4165
98 H H -0.6947
99 A H -0.6842
100 G H -0.9329
100A G H -0.5644
100B G H 0.1556
100C V H 1.2670
100D T H 0.6825
100E F H 0.2410
101 D H -0.9165
102 Y H -0.4443
103 W H -0.0730
104 G H 0.0000
105 Q H -0.8871
106 G H -0.5943
107 T H -0.7965
108 Q H -1.0773 mutated: LH108Q
109 V H 0.0000
110 T H -0.2831
111 V H 0.0000
112 S H -0.5174
113 S H -0.5151

 

Laboratory of Theory of Biopolymers 2015