Project name: SH3_Y93D

Status: done

submitted: 2019-03-14 18:58:42, status changed: 2019-03-14 19:39:40
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93D
Energy difference between WT (input) and mutated protein (by FoldX) 6.55693 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
-3.1592
Maximal score value
1.7964
Average score
-1.0455
Total score value
-59.594

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
85 T A 0.5173
86 L A 0.7932
87 F A 0.9247
88 V A 0.4323
89 A A 0.0000
90 L A -0.2078
91 Y A -0.6972
92 D A -2.7981
93 D A -2.4394 mutated: YA93D
94 E A -2.9114
95 A A -2.8119
96 R A -3.0856
97 T A -2.7133
98 E A -3.1592
99 D A -3.1379
100 D A -2.3126
101 L A 0.0000
102 S A -2.4088
103 F A 0.0000
104 H A -2.8522
105 K A -2.4898
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0572
112 L A 0.1426
113 N A -0.8933
114 S A -1.1870
115 S A -1.6004
116 E A -2.5661
117 G A -2.1430
118 D A -2.4618
119 W A -1.1656
120 W A -1.0970
121 E A -1.1903
122 A A 0.0000
123 R A -1.7160
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7210
131 G A -1.5716
132 Y A -0.9633
133 I A 0.0000
134 P A 0.0000
135 S A -0.9291
136 N A -1.1505
137 Y A -0.2005
138 V A 0.0000
139 A A 0.4182
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015