Project name: SH3_I110H

Status: done

submitted: 2019-03-14 15:24:46, status changed: 2019-03-14 17:06:22
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110H
Energy difference between WT (input) and mutated protein (by FoldX) 3.79012 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
0.9319
Average score
-0.9721
Total score value
-58.3251

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 -0.6153
82 S A -0.8669
83 H A -0.9719
84 M A -0.2486
85 T A 0.0000
86 F A 0.0000
87 V A -0.7219
88 A A 0.0000
89 L A -0.3370
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1057
93 E A -2.8817
94 S A 0.0000
95 R A -2.7840
96 T A -2.1637
97 E A -2.3623
98 T A -1.2597
99 D A -1.3601
100 L A 0.0000
101 S A -1.9153
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9867
106 E A 0.0000
107 R A -2.1991
108 L A 0.0000
109 Q A -0.7024
110 H A -0.3379 mutated: IA110H
111 V A 0.9319
112 N A -0.5863
113 N A -1.9621
114 T A -1.7248
115 E A -2.9379
116 G A -2.6166
117 D A -2.7124
118 W A -1.3932
119 W A -0.8813
120 L A 0.2169
121 A A 0.0000
122 H A -0.5570
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 -1.4120
129 T A -0.5771
130 G A 0.0000
131 Y A 0.0620
132 I A 0.0000
133 P A 0.0000
134 S A -1.3802
135 N A -1.2542
136 Y A -0.2295
137 V A 0.0000
138 A A -0.0883
139 P A -0.3861
140 S A -0.3270

 

Laboratory of Theory of Biopolymers 2015