Project name: SH3_I110Y

Status: done

submitted: 2019-03-14 15:25:15, status changed: 2019-03-14 17:07:27
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110Y
Energy difference between WT (input) and mutated protein (by FoldX) 3.19599 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
1.3246
Average score
-0.9142
Total score value
-54.8503

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 -0.5335
82 S A -0.8026
83 H A -1.0188
84 M A -0.2215
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 -2.1055
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 -1.3234
100 L A 0.0000
101 S A -1.9034
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 -2.1143
108 L A 0.0000
109 Q A -0.3200
110 Y A 0.4799 mutated: IA110Y
111 V A 1.3246
112 N A -0.3729
113 N A -1.7744
114 T A -1.7296
115 E A -2.9345
116 G A -2.6073
117 D A -2.6842
118 W A -1.3427
119 W A -0.6646
120 L A 0.4455
121 A A 0.0000
122 H A -0.3469
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 -0.4794
130 G A 0.0000
131 Y A 0.2368
132 I A 0.0000
133 P A 0.0000
134 S A -1.2689
135 N A -1.2485
136 Y A -0.2255
137 V A 0.0000
138 A A -0.0881
139 P A -0.3191
140 S A -0.3471

 

Laboratory of Theory of Biopolymers 2015