Project name: SH3_G127W

Status: done

submitted: 2019-03-14 15:36:29, status changed: 2019-03-14 18:15:32
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127W
Energy difference between WT (input) and mutated protein (by FoldX) 3.26485 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
-3.4819
Maximal score value
1.262
Average score
-0.8343
Total score value
-50.0606

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 -0.4522
82 S A -0.6843
83 H A -0.7924
84 M A 0.2647
85 T A 0.0000
86 F A -0.1071
87 V A -0.6237
88 A A 0.0000
89 L A -0.3125
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 -1.2411
99 D A -1.3226
100 L A 0.0000
101 S A -1.9017
102 F A 0.0000
103 K A -3.4819
104 K A -2.8616
105 G A -1.9616
106 E A 0.0000
107 R A -2.2108
108 L A 0.0000
109 Q A -0.3405
110 I A 0.4480
111 V A 1.2620
112 N A -0.4143
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6910
120 L A 0.4173
121 A A 0.0000
122 H A -0.0751
123 S A 0.0000
124 L A -0.2011
125 T A -0.5533
126 T A -0.2086
127 W A 0.6631 mutated: GA127W
128 Q A -0.6845
129 T A -0.1508
130 G A 0.0000
131 Y A 0.2292
132 I A 0.0000
133 P A 0.0000
134 S A -1.2857
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1516
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015