Project name: SH3_S94L

Status: done

submitted: 2019-03-14 15:15:41, status changed: 2019-03-14 16:08:31
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA94L
Energy difference between WT (input) and mutated protein (by FoldX) 4.59468 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
-3.4824
Maximal score value
1.2501
Average score
-0.905
Total score value
-54.2996

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
81 G A -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1038
87 V A -0.6243
88 A A 0.0000
89 L A -0.3213
90 Y A -0.7568
91 D A -2.8556
92 Y A -2.0143
93 E A -2.7116
94 L A -1.8359 mutated: SA94L
95 R A -2.6177
96 T A -2.0262
97 E A -2.2704
98 T A -1.1423
99 D A -1.1179
100 L A 0.0000
101 S A -1.7462
102 F A 0.0000
103 K A -3.4824
104 K A -2.8696
105 G A -1.9662
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4374
111 V A 1.2501
112 N A -0.4188
113 N A -1.8128
114 T A -1.7319
115 E A -2.9347
116 G A -2.6070
117 D A -2.6815
118 W A -1.3227
119 W A -0.6822
120 L A 0.4236
121 A A 0.0000
122 H A -0.3837
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8749
127 G A -0.8169
128 Q A -1.3964
129 T A -0.4716
130 G A 0.0000
131 Y A 0.3079
132 I A 0.0000
133 P A 0.0000
134 S A -1.2831
135 N A -1.2485
136 Y A -0.2042
137 V A 0.0000
138 A A -0.0204
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015