Project name: SH3_W119A

Status: done

submitted: 2019-03-14 15:31:18, status changed: 2019-03-14 17:45:38
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119A
Energy difference between WT (input) and mutated protein (by FoldX) 2.97289 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
1.2459
Average score
-0.8823
Total score value
-52.9394

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 -0.4478
82 S A -0.6797
83 H A -0.7912
84 M A 0.2920
85 T A 0.0000
86 F A 0.0489
87 V A -0.5146
88 A A 0.0000
89 L A -0.2394
90 Y A -0.7045
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 -2.1625
97 E A -2.3611
98 T A -1.2576
99 D A -1.3747
100 L A 0.0000
101 S A -1.9140
102 F A 0.0000
103 K A -3.4838
104 K A -2.8367
105 G A -1.9280
106 E A 0.0000
107 R A -2.0198
108 L A 0.0000
109 Q A -0.2030
110 I A 0.4642
111 V A 1.2459
112 N A -0.4342
113 N A -1.8728
114 T A -1.7566
115 E A -2.9836
116 G A -2.6607
117 D A -2.7640
118 W A -1.4852
119 A A 0.0000 mutated: WA119A
120 L A 0.3207
121 A A 0.0000
122 H A -0.3971
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 -0.5018
130 G A 0.0000
131 Y A 0.0882
132 I A 0.0000
133 P A 0.0000
134 S A -1.3477
135 N A -1.2385
136 Y A -0.1229
137 V A -0.0380
138 A A 0.0933
139 P A -0.0638
140 S A -0.1171

 

Laboratory of Theory of Biopolymers 2015