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

Status: done

submitted: 2019-03-28 06:37:50, status changed: 2019-03-28 06:45:01
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWVRQAPGKGLEWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GH44E, LH45R, VH37Y
Energy difference between WT (input) and mutated protein (by FoldX) 6.70989 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
-3.9662
Maximal score value
1.5319
Average score
-0.5063
Total score value
-61.7728

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 -1.8766
2 V H -0.7662
3 Q H -0.5749
4 L H 0.0000
5 L H 0.7522
6 E H 0.0000
7 S H -0.4008
8 G H -0.6417
9 G H 0.0651
10 G H 0.8652
11 L H 1.3774
12 V H -0.0469
13 Q H -1.3281
14 P H -1.4146
15 G H -1.4218
16 G H -1.1476
17 S H -1.1682
18 L H -1.0147
19 R H -2.1273
20 L H 0.0000
21 S H -0.5171
22 C H 0.0000
23 A H -0.1767
24 A H 0.0000
25 S H -0.4373
26 G H -0.8768
27 F H -0.1771
28 M H -0.2433
29 L H 0.0000
30 S H -0.2528
31 A H 0.1055
32 E H 0.0358
33 D H 0.2290
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 Y H 0.0694 mutated: VH37Y
38 R H 0.0000
39 Q H -1.9111
40 A H -1.8288
41 P H -1.1443
42 G H -1.8516
43 K H -3.4844
44 E H -3.9662 mutated: GH44E
45 R H -3.2332 mutated: LH45R
46 E H -1.8243
47 W H 0.3347
48 V H 0.0000
49 S H 0.0000
50 A H 0.5977
51 I H 0.0000
52 L H 0.5628
52A D H 0.3648
53 F H 1.4829
54 G H 0.3392
55 G H -0.0243
56 S H 0.2127
57 T H 0.3924
58 Y H 0.6879
59 Y H -0.2159
60 A H 0.0000
61 D H -2.3737
62 S H -1.5960
63 V H 0.0000
64 K H -2.4982
65 G H -1.7864
66 R H -1.6245
67 F H 0.0000
68 T H -0.7599
69 I H 0.0000
70 S H -0.5745
71 R H -1.3080
72 D H -2.0670
73 N H -2.3446
74 S H -1.9073
75 K H -2.4894
76 N H -1.7399
77 T H 0.0000
78 L H 0.0000
79 Y H -0.6508
80 L H 0.0000
81 Q H -1.3389
82 M H 0.0000
82A N H -1.5240
82B S H -1.3161
82C L H 0.0000
83 R H -2.5509
84 A H -1.8061
85 E H -2.3261
86 D H 0.0000
87 T H -0.4801
88 A H 0.0000
89 V H 0.4901
90 Y H 0.0000
91 Y H 0.2889
92 C H 0.0000
93 A H 0.0000
94 R H -0.1524
95 V H 0.4791
96 V H 0.6804
97 Y H 0.4058
98 H H -0.6990
99 A H -0.6830
100 G H -0.9308
100A G H -0.5656
100B G H 0.1440
100C V H 1.2440
100D T H 0.6825
100E F H 0.2649
101 D H -0.8553
102 Y H -0.2798
103 W H 0.0146
104 G H 0.0000
105 Q H -0.8624
106 G H 0.0087
107 T H 0.4704
108 L H 1.5319
109 V H 0.0000
110 T H 0.2969
111 V H 0.0000
112 S H -0.5348
113 S H -0.5296

 

Laboratory of Theory of Biopolymers 2015