Project name: SH3_G131R

Status: done

submitted: 2019-03-14 19:21:54, status changed: 2019-03-14 22:39:44
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131R
Energy difference between WT (input) and mutated protein (by FoldX) 4.27575 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
-3.2048
Maximal score value
1.7964
Average score
-0.9797
Total score value
-55.8457

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 0.9238
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5613
93 Y A -1.9341
94 E A -2.6485
95 A A -2.6900
96 R A -2.9865
97 T A -2.6618
98 E A -3.1968
99 D A -3.2048
100 D A 0.0000
101 L A 0.0000
102 S A -2.2515
103 F A 0.0000
104 H A -2.7298
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5063
111 I A -0.1085
112 L A 0.0848
113 N A -0.8879
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1672
120 W A -1.1463
121 E A -1.3264
122 A A 0.0000
123 R A -1.7289
124 S A 0.0000
125 L A 0.1116
126 T A -0.4228
127 T A -0.7168
128 G A -1.2550
129 E A -2.0416
130 T A -1.7811
131 R A -1.9597 mutated: GA131R
132 Y A -1.1325
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015