Project name: SH3_A95Q

Status: done

submitted: 2019-03-14 19:00:25, status changed: 2019-03-14 19:51:10
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA95Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.4701 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
-3.1671
Maximal score value
1.7964
Average score
-0.979
Total score value
-55.8048

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 0.7932
87 F A 0.9238
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5902
93 Y A -2.0107
94 E A -2.8088
95 Q A -2.9732 mutated: AA95Q
96 R A -3.1584
97 T A -2.7611
98 E A -3.1671
99 D A -3.1001
100 D A 0.0000
101 L A 0.0000
102 S A -2.3092
103 F A 0.0000
104 H A -2.7207
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
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 -1.0557
121 E A -1.1530
122 A A 0.0000
123 R A -1.7065
124 S A 0.0000
125 L A 0.0637
126 T A -0.4685
127 T A -0.8115
128 G A -1.3435
129 E A -2.2075
130 T A -1.6750
131 G A -1.5282
132 Y A -0.9099
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