Project name: SH3_Y132I

Status: done

submitted: 2019-03-14 19:22:21, status changed: 2019-03-14 22:43:42
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA132I
Energy difference between WT (input) and mutated protein (by FoldX) 1.04138 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
-3.0874
Maximal score value
1.7964
Average score
-0.973
Total score value
-55.4622

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 0.5183
86 L A 0.7945
87 F A 0.9249
88 V A 0.4313
89 A A 0.0000
90 L A -0.1512
91 Y A -0.5750
92 D A -2.5603
93 Y A -1.9324
94 E A -2.6456
95 A A -2.6096
96 R A -2.9853
97 T A -2.6608
98 E A -3.0874
99 D A -3.0533
100 D A 0.0000
101 L A 0.0000
102 S A -2.1899
103 F A 0.0000
104 H A -2.7284
105 K A -2.4061
106 G A -1.4581
107 E A -1.3078
108 K A -0.6420
109 F A 0.0000
110 Q A -0.5506
111 I A -0.1227
112 L A 0.0616
113 N A -0.9485
114 S A -1.2118
115 S A -1.6149
116 E A -2.5841
117 G A -2.1405
118 D A -2.4256
119 W A -1.0621
120 W A -1.1416
121 E A -1.4384
122 A A 0.0000
123 R A -1.7732
124 S A 0.0000
125 L A 0.0591
126 T A -0.4730
127 T A -0.8207
128 G A -1.3573
129 E A -2.2403
130 T A -1.7492
131 G A -1.5502
132 I A -0.8667 mutated: YA132I
133 I A 0.0000
134 P A 0.0000
135 S A -0.9219
136 N A -1.1378
137 Y A -0.1155
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