Project name: SH3_G128P

Status: done

submitted: 2019-03-14 19:19:40, status changed: 2019-03-14 22:22:03
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128P
Energy difference between WT (input) and mutated protein (by FoldX) 5.88649 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
-0.9554
Total score value
-54.457

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 0.5173
86 L A 0.7912
87 F A 0.9192
88 V A 0.4267
89 A A 0.0000
90 L A -0.1510
91 Y A -0.5746
92 D A -2.5597
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 -2.7278
105 K A -2.4055
106 G A -1.4575
107 E A -1.3126
108 K A -0.6482
109 F A 0.0000
110 Q A -0.5013
111 I A -0.0481
112 L A 0.1501
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 -1.0518
121 E A -1.1456
122 A A 0.0000
123 R A -1.6703
124 S A 0.0000
125 L A 0.0473
126 T A -0.4618
127 T A -0.7723
128 P A -1.2940 mutated: GA128P
129 E A -2.2012
130 T A -1.6646
131 G A -1.4858
132 Y A -0.8624
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
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