Project name: SH3_N112G

Status: done

submitted: 2019-03-14 15:26:13, status changed: 2019-03-14 17:14:57
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues NA112G
Energy difference between WT (input) and mutated protein (by FoldX) 2.82885 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
-3.4838
Maximal score value
1.4878
Average score
-0.852
Total score value
-51.1203

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
81 G A -0.4506
82 S A -0.6820
83 H A -0.7908
84 M A 0.2676
85 T A 0.0000
86 F A -0.1034
87 V A -0.6218
88 A A 0.0000
89 L A -0.3125
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1359
97 E A -2.3342
98 T A -1.1911
99 D A -1.2433
100 L A 0.0000
101 S A -1.8806
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0707
108 L A 0.0000
109 Q A -0.1888
110 I A 0.5886
111 V A 1.4878
112 G A 0.0321 mutated: NA112G
113 N A -1.5842
114 T A -1.6050
115 E A -2.8591
116 G A -2.5675
117 D A -2.6668
118 W A -1.2297
119 W A -0.4890
120 L A 0.6873
121 A A 0.0000
122 H A -0.3026
123 S A 0.0000
124 L A -0.2789
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4503
130 G A 0.0000
131 Y A 0.4666
132 I A 0.0000
133 P A 0.0000
134 S A -1.2571
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1501
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015