Project name: SH3_L125E

Status: done

submitted: 2019-03-14 19:17:12, status changed: 2019-03-14 22:06:48
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA125E
Energy difference between WT (input) and mutated protein (by FoldX) 1.51949 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
1.7668
Average score
-1.1668
Total score value
-66.5062

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 0.4661
86 L A 0.3114
87 F A 0.5479
88 V A 0.0624
89 A A 0.0000
90 L A -0.1565
91 Y A -0.5750
92 D A -2.5599
93 Y A -1.9315
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 -2.7341
105 K A -2.4128
106 G A -1.4707
107 E A -1.9409
108 K A -1.6741
109 F A 0.0000
110 Q A -1.2566
111 I A -0.1244
112 L A 0.1173
113 N A -0.8975
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 -1.1028
120 W A -1.0668
121 E A -1.1693
122 A A 0.0000
123 R A -2.5217
124 S A 0.0000
125 E A -2.9232 mutated: LA125E
126 T A -1.9459
127 T A -1.6788
128 G A -2.2666
129 E A -2.7185
130 T A -2.0370
131 G A -1.5047
132 Y A -0.8707
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1246
138 V A 0.0000
139 A A 0.3995
140 P A 0.7411
141 V A 1.7668

 

Laboratory of Theory of Biopolymers 2015