Project name: SH3_A138V

Status: done

submitted: 2019-03-14 17:15:09, status changed: 2019-03-14 18:42:34
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA138V
Energy difference between WT (input) and mutated protein (by FoldX) -0.703985 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
-3.4977
Maximal score value
1.2498
Average score
-0.8523
Total score value
-51.1357

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 -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2824
85 T A 0.0000
86 F A 0.1811
87 V A -0.4093
88 A A 0.0000
89 L A -0.1844
90 Y A -0.7643
91 D A -2.8608
92 Y A -2.1100
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3229
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4977
104 K A -2.8891
105 G A -1.9937
106 E A 0.0000
107 R A -2.0887
108 L A 0.0000
109 Q A -0.2505
110 I A 0.4450
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6978
120 L A 0.4047
121 A A 0.0000
122 H A -0.3840
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 -0.4950
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.1492
135 N A -1.0909
136 Y A -0.0460
137 V A 0.0000
138 V A 0.8657 mutated: AA138V
139 P A 0.3379
140 S A 0.0590

 

Laboratory of Theory of Biopolymers 2015