Project name: SH3_V88L

Status: done

submitted: 2019-03-14 18:56:06, status changed: 2019-03-14 19:21:21
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA88L
Energy difference between WT (input) and mutated protein (by FoldX) -0.0366364 kcal/mol

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
1.8059
Average score
-0.9584
Total score value
-54.6278

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 0.5193
86 L A 0.8051
87 F A 0.9373
88 L A 0.4542 mutated: VA88L
89 A A 0.0000
90 L A -0.2062
91 Y A -0.6016
92 D A -2.5729
93 Y A -1.9393
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 -2.7333
105 K A -2.4207
106 G A -1.4624
107 E A -1.2949
108 K A -0.6148
109 F A 0.0000
110 Q A -0.4954
111 I A -0.0565
112 L A 0.1430
113 N A -0.8879
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 -1.0557
121 E A -1.1529
122 A A 0.0000
123 R A -1.7040
124 S A 0.0000
125 L A 0.1063
126 T A -0.4506
127 T A -0.8078
128 G A -1.3446
129 E A -2.2334
130 T A -1.6879
131 G A -1.4991
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1595
137 Y A -0.1397
138 V A 0.0000
139 A A 0.4120
140 P A 0.7840
141 V A 1.8059

 

Laboratory of Theory of Biopolymers 2015