Project name: 3G11 [mutate: WH47Y]

Status: done

submitted: 2019-02-19 09:46:12, status changed: 2019-02-19 09:52:46
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Chain sequence(s) H: EVQLLESGGGLVQPGGSLRLSCAASGFMLSAEDVGWVRQAPGKGLEWVSAILDFGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVVYHAGGGVTFDYWGQGTLVTVSS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WH47Y
Energy difference between WT (input) and mutated protein (by FoldX) 1.03612 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
-2.5509
Maximal score value
1.5196
Average score
-0.3875
Total score value
-47.2728

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 -0.7549
3 Q H -0.5583
4 L H 0.0000
5 L H 0.7651
6 E H 0.0000
7 S H -0.4026
8 G H -0.6437
9 G H 0.0603
10 G H 0.8612
11 L H 1.3754
12 V H -0.0470
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 -0.2529
31 A H 0.1053
32 E H 0.0357
33 D H 0.2294
34 V H 0.0000
35 G H 0.0000
36 W H 0.0000
37 V H 0.0000
38 R H 0.0000
39 Q H -0.3495
40 A H -1.0055
41 P H -0.9495
42 G H -1.5675
43 K H -2.1482
44 G H -1.0709
45 L H 0.6204
46 E H 0.0591
47 Y H 1.2713 mutated: WH47Y
48 V H 0.0000
49 S H 0.0000
50 A H 0.6711
51 I H 0.0000
52 L H 0.5786
52A D H 0.3647
53 F H 1.4828
54 G H 0.3390
55 G H -0.0244
56 S H 0.2368
57 T H 0.4639
58 Y H 0.8413
59 Y H -0.0277
60 A H -0.8087
61 D H -2.3340
62 S H -1.5497
63 V H 0.0000
64 K H -2.4545
65 G H -1.7729
66 R H -1.6157
67 F H 0.0000
68 T H -0.7353
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 -2.3262
86 D H 0.0000
87 T H -0.4800
88 A H 0.0000
89 V H 0.8102
90 Y H 0.0000
91 Y H 0.6151
92 C H 0.0000
93 A H 0.0000
94 R H -0.1239
95 V H 0.4964
96 V H 0.6830
97 Y H 0.4069
98 H H -0.6990
99 A H -0.6830
100 G H -0.9308
100A G H -0.5657
100B G H 0.1451
100C V H 1.2458
100D T H 0.6864
100E F H 0.2924
101 D H -0.8283
102 Y H -0.2265
103 W H 0.0948
104 G H 0.0000
105 Q H -0.8376
106 G H -0.0031
107 T H 0.4634
108 L H 1.5196
109 V H 0.0000
110 T H 0.2933
111 V H 0.0000
112 S H -0.5348
113 S H -0.5296

 

Laboratory of Theory of Biopolymers 2015