Project name: SH3_V87D

Status: done

submitted: 2019-03-14 15:10:41, status changed: 2019-03-14 15:40:51
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA87D
Energy difference between WT (input) and mutated protein (by FoldX) 2.29261 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
-3.6031
Maximal score value
1.2498
Average score
-0.9715
Total score value
-58.2923

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 0.2661
85 T A 0.0000
86 F A -0.6900
87 D A -1.8074 mutated: VA87D
88 A A 0.0000
89 L A -0.5654
90 Y A -0.8541
91 D A -2.8405
92 Y A -2.0987
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 -3.6031
104 K A -3.0683
105 G A -2.3142
106 E A 0.0000
107 R A -2.5060
108 L A 0.0000
109 Q A -0.4080
110 I A 0.4366
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 -1.2853
135 N A -1.2391
136 Y A -0.3611
137 V A 0.0000
138 A A -0.3805
139 P A -0.4703
140 S A -0.5308

 

Laboratory of Theory of Biopolymers 2015