Project name: 3G11 [mutate: LH5V, LH11V] [mutate: VH5L, VH11L, LH108Q, LH45R, WH47Y, VH37F] [mutate: YH47F]

Status: done

submitted: 2019-03-28 09:28:27, status changed: 2019-03-28 09:34:10
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWFRQAPGKGREYVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTQVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YH47F
Energy difference between WT (input) and mutated protein (by FoldX) -0.786876 kcal/mol

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
-2.8501
Maximal score value
1.4894
Average score
-0.5682
Total score value
-69.3176

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 -1.9237
2 V H -0.8733
3 Q H -0.5975
4 L H 0.0000
5 L H 0.9972
6 E H 0.0801
7 S H -0.7254
8 G H -1.0250
9 G H -0.8215
10 G H 0.1481
11 L H 1.0147
12 V H -0.0221
13 Q H -1.3130
14 P H -1.4005
15 G H -1.4144
16 G H -1.1081
17 S H -1.0831
18 L H -0.9578
19 R H -2.0915
20 L H 0.0000
21 S H -0.5216
22 C H 0.0000
23 A H -0.1251
24 A H 0.0000
25 S H -0.4310
26 G H -0.9221
27 F H -0.2006
28 M H -0.2409
29 L H 0.0000
30 S H -0.2438
31 A H 0.1224
32 E H 0.0675
33 D H 0.2533
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 F H -0.1058
38 R H 0.0000
39 Q H -1.9595
40 A H -1.9280
41 P H -1.2571
42 G H -1.5776
43 K H -2.8501
44 G H -2.6380
45 R H -2.7091
46 E H -1.7244
47 F H -0.0102 mutated: YH47F
48 V H 0.0000
49 S H 0.0000
50 A H 0.5306
51 I H 0.0000
52 L H 0.5526
52A D H 0.3737
53 F H 1.4894
54 G H 0.3457
55 G H -0.0233
56 S H 0.1973
57 T H 0.3663
58 Y H 0.6382
59 Y H -0.2563
60 A H -1.0044
61 D H -2.3668
62 S H -1.6181
63 V H 0.0000
64 K H -2.4923
65 G H -1.7712
66 R H -1.5837
67 F H 0.0000
68 T H -0.7439
69 I H 0.0000
70 S H -0.5717
71 R H -1.3148
72 D H -2.0789
73 N H -2.3484
74 S H -1.9101
75 K H -2.4929
76 N H -1.7448
77 T H 0.0000
78 L H 0.0000
79 Y H -0.6763
80 L H 0.0000
81 Q H -1.2713
82 M H 0.0000
82A N H -1.4522
82B S H -1.2540
82C L H 0.0000
83 R H -2.5105
84 A H -1.7965
85 E H -2.3141
86 D H 0.0000
87 T H -0.9721
88 A H 0.0000
89 V H -0.7579
90 Y H 0.0000
91 Y H -0.0710
92 C H 0.0000
93 A H 0.0000
94 R H -0.1273
95 V H 0.5131
96 V H 0.7065
97 Y H 0.4125
98 H H -0.7074
99 A H -0.6862
100 G H -0.9346
100A G H -0.5798
100B G H 0.1396
100C V H 1.2246
100D T H 0.7112
100E F H 0.3572
101 D H -0.8690
102 Y H -0.3461
103 W H 0.0356
104 G H 0.0000
105 Q H -0.8148
106 G H 0.0000
107 T H -0.7880
108 Q H -1.0999
109 V H 0.0000
110 T H -0.3613
111 V H 0.0000
112 S H -0.5436
113 S H -0.5377

 

Laboratory of Theory of Biopolymers 2015