Project name: SH3_Y93K

Status: done

submitted: 2019-03-14 18:58:54, status changed: 2019-03-14 19:40:20
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93K
Energy difference between WT (input) and mutated protein (by FoldX) 3.27372 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
-3.0939
Maximal score value
1.7964
Average score
-0.9939
Total score value
-56.6539

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 0.9247
88 V A 0.4332
89 A A 0.0000
90 L A -0.1971
91 Y A -0.6772
92 D A -2.7618
93 K A -2.3454 mutated: YA93K
94 E A -2.8470
95 A A -2.7258
96 R A -3.0240
97 T A -2.6422
98 E A -3.0939
99 D A -3.0377
100 D A 0.0000
101 L A 0.0000
102 S A -2.3400
103 F A 0.0000
104 H A -2.8339
105 K A -2.4765
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5085
111 I A -0.0563
112 L A 0.1439
113 N A -0.9045
114 S A -1.2066
115 S A -1.6162
116 E A -2.5903
117 G A -2.1870
118 D A -2.5078
119 W A -1.2135
120 W A -1.1102
121 E A -1.1788
122 A A 0.0000
123 R A -1.7151
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 -1.6930
131 G A -1.5116
132 Y A -0.8997
133 I A 0.0000
134 P A 0.0000
135 S A -0.9568
136 N A -1.1604
137 Y A -0.1916
138 V A 0.0000
139 A A 0.4185
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015