Project name: SH3_Y93E

Status: done

submitted: 2019-03-14 18:58:44, status changed: 2019-03-14 19:39:41
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93E
Energy difference between WT (input) and mutated protein (by FoldX) 5.57051 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
-3.1573
Maximal score value
1.7964
Average score
-1.0462
Total score value
-59.6361

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 0.9265
88 V A 0.4347
89 A A 0.0000
90 L A -0.2030
91 Y A -0.6935
92 D A -2.7961
93 E A -2.4369 mutated: YA93E
94 E A -2.9114
95 A A -2.8108
96 R A -3.0848
97 T A -2.7120
98 E A -3.1573
99 D A -3.1343
100 D A -2.3095
101 L A 0.0000
102 S A -2.4076
103 F A 0.0000
104 H A -2.8523
105 K A -2.4879
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5090
111 I A -0.0567
112 L A 0.1431
113 N A -0.8971
114 S A -1.1934
115 S A -1.6053
116 E A -2.5736
117 G A -2.1557
118 D A -2.4768
119 W A -1.1902
120 W A -1.1089
121 E A -1.1944
122 A A 0.0000
123 R A -1.7154
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7195
131 G A -1.5711
132 Y A -0.9654
133 I A 0.0000
134 P A 0.0000
135 S A -0.9330
136 N A -1.1471
137 Y A -0.1880
138 V A 0.0000
139 A A 0.4214
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015