Project name: SH3_L86W

Status: done

submitted: 2019-03-14 18:54:58, status changed: 2019-03-14 19:10:25
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA86W
Energy difference between WT (input) and mutated protein (by FoldX) 1.10314 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
-3.1028
Maximal score value
1.8915
Average score
-0.9979
Total score value
-56.8775

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 0.6072
86 W A 0.8672 mutated: LA86W
87 F A 0.9476
88 V A 0.4091
89 A A 0.0000
90 L A -0.1102
91 Y A -0.5354
92 D A -2.5201
93 Y A -1.9321
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.6689
105 K A -2.2935
106 G A -1.2213
107 E A -1.3157
108 K A -0.8424
109 F A 0.0000
110 Q A -0.8553
111 I A -0.0739
112 L A 0.3048
113 N A -0.7561
114 S A -1.1045
115 S A -1.5578
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0691
121 E A -1.1848
122 A A 0.0000
123 R A -2.3529
124 S A 0.0000
125 L A -0.6038
126 T A -0.7729
127 T A -1.0517
128 G A -1.6996
129 E A -2.4878
130 T A -1.9662
131 G A -1.5808
132 Y A -0.9030
133 I A 0.0000
134 P A 0.0000
135 S A -0.9195
136 N A -1.1511
137 Y A -0.1379
138 V A 0.0000
139 A A 0.4592
140 P A 0.8145
141 V A 1.8915

 

Laboratory of Theory of Biopolymers 2015