Project name: SH3_L112H

Status: done

submitted: 2019-03-14 19:09:22, status changed: 2019-03-14 21:07:49
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA112H
Energy difference between WT (input) and mutated protein (by FoldX) 1.28938 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
-3.1022
Maximal score value
1.7957
Average score
-1.0955
Total score value
-62.4432

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 0.4448
86 L A 0.6557
87 F A 0.8240
88 V A 0.3680
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5597
93 Y A -1.9312
94 E A -2.6448
95 A A -2.6250
96 R A -2.9850
97 T A -2.6607
98 E A -3.1022
99 D A -3.0215
100 D A 0.0000
101 L A 0.0000
102 S A -2.2024
103 F A 0.0000
104 H A -2.7280
105 K A -2.4059
106 G A -1.4581
107 E A -1.3340
108 K A -0.7471
109 F A 0.0000
110 Q A -1.2995
111 I A -1.0102
112 H A -1.6354 mutated: LA112H
113 N A -1.7729
114 S A -1.5567
115 S A -1.8039
116 E A -2.5513
117 G A -2.1248
118 D A -2.4308
119 W A -1.0689
120 W A -1.3623
121 E A -1.6007
122 A A 0.0000
123 R A -2.1295
124 S A 0.0000
125 L A -0.1713
126 T A -0.5648
127 T A -0.9173
128 G A -1.5637
129 E A -2.2962
130 T A -1.9252
131 G A -1.6245
132 Y A -0.9731
133 I A 0.0000
134 P A 0.0000
135 S A -0.8946
136 N A -1.1500
137 Y A -0.1241
138 V A 0.0000
139 A A 0.4155
140 P A 0.7363
141 V A 1.7957

 

Laboratory of Theory of Biopolymers 2015