Project name: SH3_G131E

Status: done

submitted: 2019-03-14 19:21:30, status changed: 2019-03-14 22:36:09
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA131E
Energy difference between WT (input) and mutated protein (by FoldX) 8.61507 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
-3.2245
Maximal score value
1.7964
Average score
-0.9943
Total score value
-56.676

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 -2.5588
93 Y A -1.9310
94 E A -2.6445
95 A A -2.6922
96 R A -2.9849
97 T A -2.6606
98 E A -3.2072
99 D A -3.2245
100 D A 0.0000
101 L A 0.0000
102 S A -2.2770
103 F A 0.0000
104 H A -2.7261
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 -0.5110
111 I A -0.1139
112 L A 0.0842
113 N A -0.8875
114 S A -1.1778
115 S A -1.5969
116 E A -2.5617
117 G A -2.1354
118 D A -2.4427
119 W A -1.1724
120 W A -1.1547
121 E A -1.3499
122 A A 0.0000
123 R A -1.7831
124 S A 0.0000
125 L A 0.0859
126 T A -0.4491
127 T A -0.7767
128 G A -1.3521
129 E A -2.2637
130 T A -1.9115
131 E A -2.0768 mutated: GA131E
132 Y A -1.1469
133 I A 0.0000
134 P A 0.0000
135 S A -0.9184
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