Project name: SH3_L112W

Status: done

submitted: 2019-03-14 19:09:51, status changed: 2019-03-14 21:09:00
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA112W
Energy difference between WT (input) and mutated protein (by FoldX) 2.14824 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
-3.1024
Maximal score value
1.7957
Average score
-0.9214
Total score value
-52.5207

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 0.5057
86 L A 0.7813
87 F A 0.8859
88 V A 0.3984
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6255
96 R A -2.9852
97 T A -2.6608
98 E A -3.1024
99 D A -3.0313
100 D A 0.0000
101 L A 0.0000
102 S A -2.2046
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3562
108 K A -0.6735
109 F A 0.0000
110 Q A -0.3803
111 I A 0.2074
112 W A 0.6005 mutated: LA112W
113 N A -0.7839
114 S A -1.1261
115 S A -1.5748
116 E A -2.5788
117 G A -2.1426
118 D A -2.4475
119 W A -1.0982
120 W A -0.9317
121 E A -0.8998
122 A A 0.0000
123 R A -1.2955
124 S A 0.0000
125 L A -0.0769
126 T A -0.5243
127 T A -0.8058
128 G A -1.2727
129 E A -2.1325
130 T A -1.4623
131 G A -1.3258
132 Y A -0.7442
133 I A 0.0000
134 P A 0.0000
135 S A -0.9086
136 N A -1.1500
137 Y A -0.1241
138 V A 0.0000
139 A A 0.4155
140 P A 0.7695
141 V A 1.7957

 

Laboratory of Theory of Biopolymers 2015