Project name: SH3_V111T

Status: done

submitted: 2019-03-14 15:25:53, status changed: 2019-03-14 17:12:38
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA111T
Energy difference between WT (input) and mutated protein (by FoldX) 1.38223 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
0.2812
Average score
-1.0033
Total score value
-60.1994

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 -0.6683
82 S A -0.6714
83 H A -0.7832
84 M A 0.2812
85 T A 0.0000
86 F A -0.0860
87 V A -0.6128
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 -2.1552
97 E A -2.3537
98 T A -1.2445
99 D A -1.3278
100 L A 0.0000
101 S A -1.9051
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 -2.0507
108 L A 0.0000
109 Q A -0.6758
110 I A -0.4192
111 T A -0.5645 mutated: VA111T
112 N A -1.2871
113 N A -2.2275
114 T A -1.9394
115 E A -2.9320
116 G A -2.6059
117 D A -2.6855
118 W A -1.3423
119 W A -1.0571
120 L A -0.1950
121 A A 0.0000
122 H A -0.7879
123 S A 0.0000
124 L A -0.2472
125 T A -0.7721
126 T A -0.8741
127 G A -0.8140
128 Q A -1.4114
129 T A -0.7189
130 G A 0.0000
131 Y A -0.0052
132 I A 0.0000
133 P A 0.0000
134 S A -1.2872
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1429
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015