Project name: SH3_Y137E

Status: done

submitted: 2019-03-14 19:24:21, status changed: 2019-03-14 22:59:41
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA137E
Energy difference between WT (input) and mutated protein (by FoldX) 1.92134 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
-1.0166
Total score value
-57.9466

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 0.8400
88 V A 0.3200
89 A A 0.0000
90 L A -0.3762
91 Y A -0.7488
92 D A -2.6558
93 Y A -2.0308
94 E A -2.6320
95 A A -2.6217
96 R A -2.9821
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 -2.1972
103 F A 0.0000
104 H A -2.7214
105 K A -2.4977
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 -0.0569
112 L A 0.1429
113 N A -0.8879
114 S A -1.1795
115 S A -1.5962
116 E A -2.5599
117 G A -2.1366
118 D A -2.4507
119 W A -1.1897
120 W A -1.0619
121 E A -1.1562
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4992
132 Y A -0.8731
133 I A 0.0000
134 P A -0.7956
135 S A -1.1659
136 N A -1.5079
137 E A -0.8489 mutated: YA137E
138 V A 0.0000
139 A A 0.2623
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015