Project name: SH3_G131Q

Status: done

submitted: 2019-03-14 19:21:52, status changed: 2019-03-14 22:39:34
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131Q
Energy difference between WT (input) and mutated protein (by FoldX) 7.02506 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
-3.1384
Maximal score value
1.7964
Average score
-0.9605
Total score value
-54.7469

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 0.5137
86 L A 0.7906
87 F A 0.9204
88 V A 0.4309
89 A A 0.0000
90 L A -0.1503
91 Y A -0.5741
92 D A -2.5584
93 Y A -1.9302
94 E A -2.6436
95 A A -2.6479
96 R A -2.9846
97 T A -2.6604
98 E A -3.1384
99 D A -3.1058
100 D A 0.0000
101 L A 0.0000
102 S A -2.2067
103 F A 0.0000
104 H A -2.7256
105 K A -2.4041
106 G A -1.4553
107 E A -1.3021
108 K A -0.6382
109 F A 0.0000
110 Q A -0.5117
111 I A -0.0756
112 L A 0.1277
113 N A -0.8910
114 S A -1.1807
115 S A -1.5969
116 E A -2.5617
117 G A -2.1354
118 D A -2.4460
119 W A -1.1309
120 W A -1.0939
121 E A -1.2246
122 A A 0.0000
123 R A -1.6610
124 S A 0.0000
125 L A 0.1020
126 T A -0.4322
127 T A -0.7436
128 G A -1.2598
129 E A -2.0662
130 T A -1.6669
131 Q A -1.6500 mutated: GA131Q
132 Y A -0.9675
133 I A 0.0000
134 P A 0.0000
135 S A -0.9223
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7739
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015