Project name: SH3_R96H

Status: done

submitted: 2019-03-14 19:00:53, status changed: 2019-03-14 19:55:59
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA96H
Energy difference between WT (input) and mutated protein (by FoldX) 1.50137 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
-3.0
Maximal score value
1.7964
Average score
-0.9501
Total score value
-54.1585

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 0.9234
88 V A 0.4306
89 A A 0.0000
90 L A -0.1463
91 Y A -0.5642
92 D A -2.5394
93 Y A -1.8148
94 E A -2.4479
95 A A -2.2593
96 H A -2.1681 mutated: RA96H
97 T A -2.2887
98 E A -2.9805
99 D A -3.0000
100 D A -2.0419
101 L A 0.0000
102 S A -2.1077
103 F A 0.0000
104 H A -2.7183
105 K A -2.3993
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8642
114 S A -1.1440
115 S A -1.5746
116 E A -2.5276
117 G A -2.0850
118 D A -2.3629
119 W A -0.9672
120 W A -0.9980
121 E A -1.1452
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7241
131 G A -1.5552
132 Y A -0.9103
133 I A 0.0000
134 P A 0.0000
135 S A -0.8666
136 N A -1.1254
137 Y A -0.0993
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