Project name: SH3_L124K

Status: done

submitted: 2019-03-14 15:33:51, status changed: 2019-03-14 18:00:03
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA124K
Energy difference between WT (input) and mutated protein (by FoldX) 1.10729 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
1.2846
Average score
-1.0258
Total score value
-61.5477

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 -0.4345
82 S A -0.6605
83 H A -0.7754
84 M A 0.2952
85 T A 0.0000
86 F A -0.0681
87 V A -0.6036
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 -1.2408
99 D A -1.3222
100 L A 0.0000
101 S A -1.9031
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 -2.8433
108 L A 0.0000
109 Q A -0.6665
110 I A 0.5022
111 V A 1.2846
112 N A -0.4046
113 N A -1.8138
114 T A -1.7326
115 E A -2.9361
116 G A -2.6085
117 D A -2.6844
118 W A -1.3421
119 W A -0.6993
120 L A 0.4221
121 A A 0.0000
122 H A -1.0273
123 S A 0.0000
124 K A -2.8544 mutated: LA124K
125 T A -2.0537
126 T A -1.6616
127 G A -1.6806
128 Q A -1.8847
129 T A -0.8107
130 G A 0.0000
131 Y A 0.2179
132 I A 0.0000
133 P A 0.0000
134 S A -1.2855
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0212
139 P A -0.1355
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015