Project name: SH3_S134V

Status: done

submitted: 2019-03-14 15:39:33, status changed: 2019-03-14 18:34:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA134V
Energy difference between WT (input) and mutated protein (by FoldX) -0.291171 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
-3.4809
Maximal score value
1.2746
Average score
-0.8747
Total score value
-52.481

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 -0.4456
82 S A -0.6777
83 H A -0.7912
84 M A 0.2721
85 T A 0.0000
86 F A -0.1009
87 V A -0.6234
88 A A 0.0000
89 L A -0.3075
90 Y A -0.7252
91 D A -2.8471
92 Y A -2.1027
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1549
97 E A -2.3535
98 T A -1.2430
99 D A -1.3294
100 L A 0.0000
101 S A -1.9045
102 F A 0.0000
103 K A -3.4809
104 K A -2.8567
105 G A -1.9606
106 E A 0.0000
107 R A -2.0685
108 L A 0.0000
109 Q A -0.2262
110 I A 0.5108
111 V A 1.2746
112 N A -0.3974
113 N A -1.7655
114 T A -1.7327
115 E A -2.9047
116 G A -2.5499
117 D A -2.5971
118 W A -1.2605
119 W A -0.6325
120 L A 0.4440
121 A A 0.0000
122 H A -0.3748
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4914
130 G A 0.0000
131 Y A 0.2500
132 I A 0.0000
133 P A 0.0000
134 V A -0.9873 mutated: SA134V
135 N A -1.1023
136 Y A -0.1031
137 V A 0.0000
138 A A 0.0241
139 P A -0.1483
140 S A -0.1777

 

Laboratory of Theory of Biopolymers 2015