Project name: SH3_G128C

Status: done

submitted: 2019-03-14 19:19:18, status changed: 2019-03-14 22:21:37
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA128C
Energy difference between WT (input) and mutated protein (by FoldX) 3.26487 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
-0.9064
Total score value
-51.6631

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 0.4757
86 L A 0.7192
87 F A 0.8599
88 V A 0.3893
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
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 -3.0430
100 D A 0.0000
101 L A 0.0000
102 S A -2.2056
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3341
108 K A -0.7039
109 F A 0.0000
110 Q A -0.5648
111 I A -0.0903
112 L A 0.1697
113 N A -0.8893
114 S A -1.1680
115 S A -1.5914
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0489
121 E A -1.1310
122 A A 0.0000
123 R A -1.3186
124 S A 0.0000
125 L A 0.2410
126 T A -0.2299
127 T A -0.3073
128 C A -0.3241 mutated: GA128C
129 E A -1.6973
130 T A -1.3843
131 G A -1.3491
132 Y A -0.8387
133 I A 0.0000
134 P A 0.0000
135 S A -0.9195
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4158
140 P A 0.7542
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015