Project name: SH3_T129D

Status: done

submitted: 2019-03-14 15:37:28, status changed: 2019-03-14 18:20:08
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues TA129D
Energy difference between WT (input) and mutated protein (by FoldX) 1.74289 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
1.0708
Average score
-0.9876
Total score value
-59.2579

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 -0.4506
82 S A -0.6820
83 H A -0.7908
84 M A 0.2676
85 T A 0.0000
86 F A -0.1034
87 V A -0.6218
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 -2.1549
97 E A -2.3535
98 T A -1.5061
99 D A -1.6201
100 L A 0.0000
101 S A -2.1525
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0700
108 L A 0.0000
109 Q A -0.4294
110 I A 0.2861
111 V A 1.0708
112 N A -0.3781
113 N A -1.7923
114 T A -1.7200
115 E A -2.9260
116 G A -2.6068
117 D A -2.6853
118 W A -1.3288
119 W A -0.6630
120 L A 0.1355
121 A A 0.0000
122 H A -1.0525
123 S A 0.0000
124 L A -0.4651
125 T A -0.7534
126 T A -1.0686
127 G A -1.1109
128 Q A -2.2016
129 D A -2.1715 mutated: TA129D
130 G A 0.0000
131 Y A -0.0996
132 I A 0.0000
133 P A 0.0000
134 S A -1.2795
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1501
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015