Project name: SH3_I111V

Status: done

submitted: 2019-03-14 19:09:05, status changed: 2019-03-14 21:03:37
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA111V
Energy difference between WT (input) and mutated protein (by FoldX) 1.33048 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
1.7964
Average score
-0.9582
Total score value
-54.6184

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 0.5214
86 L A 0.7985
87 F A 0.9284
88 V A 0.4313
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 -2.6259
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 -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6401
109 F A 0.0000
110 Q A -0.4953
111 V A -0.0310 mutated: IA111V
112 L A 0.1605
113 N A -0.8817
114 S A -1.1818
115 S A -1.5999
116 E A -2.5627
117 G A -2.1363
118 D A -2.4464
119 W A -1.1044
120 W A -1.0516
121 E A -1.1458
122 A A 0.0000
123 R A -1.7080
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6889
131 G A -1.4957
132 Y A -0.8646
133 I A 0.0000
134 P A 0.0000
135 S A -0.9193
136 N A -1.1503
137 Y A -0.1243
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