Project name: SH3_I110S

Status: done

submitted: 2019-03-14 15:25:06, status changed: 2019-03-14 17:07:00
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA110S
Energy difference between WT (input) and mutated protein (by FoldX) 4.26113 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
-3.4838
Maximal score value
1.0386
Average score
-0.9266
Total score value
-55.5944

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 -0.5036
82 S A -0.7300
83 H A -0.7912
84 M A 0.2046
85 T A 0.0000
86 F A -0.1853
87 V A -0.6202
88 A A 0.0000
89 L A -0.3120
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3233
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9616
106 E A 0.0000
107 R A -2.1137
108 L A 0.0000
109 Q A -0.4589
110 S A 0.0063 mutated: IA110S
111 V A 1.0386
112 N A -0.5456
113 N A -1.9129
114 T A -1.7344
115 E A -2.9377
116 G A -2.6095
117 D A -2.6853
118 W A -1.3447
119 W A -0.8006
120 L A 0.2859
121 A A 0.0000
122 H A -0.4918
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 -0.5397
130 G A 0.0000
131 Y A 0.1680
132 I A 0.0000
133 P A 0.0000
134 S A -1.3330
135 N A -1.2488
136 Y A -0.2034
137 V A 0.0000
138 A A -0.0197
139 P A -0.1929
140 S A -0.1743

 

Laboratory of Theory of Biopolymers 2015