Project name: SH3_Y136C

Status: done

submitted: 2019-03-14 17:17:39, status changed: 2019-03-14 18:57:09
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA136C
Energy difference between WT (input) and mutated protein (by FoldX) 2.23684 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
-3.4189
Maximal score value
1.2498
Average score
-0.9055
Total score value
-54.3315

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 -0.1303
87 V A -0.6340
88 A A 0.0000
89 L A -0.2897
90 Y A -0.5939
91 D A -2.7645
92 Y A -2.0351
93 E A -2.8504
94 S A 0.0000
95 R A -2.7772
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3193
100 L A 0.0000
101 S A -1.8831
102 F A 0.0000
103 K A -3.4189
104 K A -2.8031
105 G A -1.9270
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4372
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6120
117 D A -2.6920
118 W A -1.3777
119 W A -0.7045
120 L A 0.4011
121 A A 0.0000
122 H A -0.3840
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4950
130 G A 0.0000
131 Y A 0.2137
132 I A 0.0000
133 P A -0.6314
134 S A -1.3768
135 N A -1.3510
136 C A -0.3889 mutated: YA136C
137 V A 0.0000
138 A A -0.0706
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015