Project name: SH3_Y92P

Status: done

submitted: 2019-03-14 15:14:14, status changed: 2019-03-14 15:59:16
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA92P
Energy difference between WT (input) and mutated protein (by FoldX) 13.1941 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
-3.5456
Maximal score value
1.2501
Average score
-0.9588
Total score value
-57.526

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 0.2668
85 T A 0.0000
86 F A -0.0967
87 V A -0.6076
88 A A 0.0000
89 L A -0.3041
90 Y A -0.7508
91 D A -2.9603
92 P A -2.3908 mutated: YA92P
93 E A -3.0519
94 S A -2.3080
95 R A -2.8528
96 T A -2.2073
97 E A -2.3989
98 T A -1.3158
99 D A -1.5016
100 L A 0.0000
101 S A -2.0376
102 F A 0.0000
103 K A -3.5456
104 K A -2.8824
105 G A -1.9557
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4375
111 V A 1.2501
112 N A -0.4080
113 N A -1.7964
114 T A -1.7206
115 E A -2.9122
116 G A -2.5877
117 D A -2.6497
118 W A -1.2757
119 W A -0.6779
120 L A 0.3986
121 A A 0.0000
122 H A -0.3838
123 S A 0.0000
124 L A -0.2798
125 T A -0.7804
126 T A -0.8794
127 G A -0.8175
128 Q A -1.4276
129 T A -0.5208
130 G A 0.0000
131 Y A 0.1744
132 I A 0.0000
133 P A -0.5666
134 S A -1.2489
135 N A -1.2074
136 Y A -0.1667
137 V A 0.0000
138 A A -0.0067
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015