Project name: SH3_Y136D

Status: done

submitted: 2019-03-14 17:17:41, status changed: 2019-03-14 18:56:51
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136D
Energy difference between WT (input) and mutated protein (by FoldX) 3.20638 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
-3.4149
Maximal score value
1.2498
Average score
-0.9239
Total score value
-55.4312

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 -0.1644
87 V A -0.6780
88 A A 0.0000
89 L A -0.3839
90 Y A -0.6612
91 D A -2.8048
92 Y A -2.0830
93 E A -2.8520
94 S A 0.0000
95 R A -2.7775
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3206
100 L A 0.0000
101 S A -1.8841
102 F A 0.0000
103 K A -3.4149
104 K A -2.8390
105 G A -1.9238
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4381
111 V A 1.2498
112 N A -0.4200
113 N A -1.8130
114 T A -1.7328
115 E A -2.9353
116 G A -2.6112
117 D A -2.6913
118 W A -1.4099
119 W A -0.7040
120 L A 0.4012
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 0.2132
132 I A 0.0000
133 P A -0.7310
134 S A -1.4727
135 N A -1.4973
136 D A -0.6953 mutated: YA136D
137 V A 0.0000
138 A A -0.1339
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015