Project name: SH3_G127R

Status: done

submitted: 2019-03-14 15:36:20, status changed: 2019-03-14 18:14:44
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127R
Energy difference between WT (input) and mutated protein (by FoldX) 2.37644 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
-3.4829
Maximal score value
1.2722
Average score
-0.9738
Total score value
-58.4257

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 -0.4514
82 S A -0.6831
83 H A -0.7916
84 M A 0.2661
85 T A 0.0000
86 F A -0.1053
87 V A -0.6228
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 -1.9022
102 F A 0.0000
103 K A -3.4829
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.1359
108 L A 0.0000
109 Q A -0.2728
110 I A 0.4602
111 V A 1.2722
112 N A -0.4093
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 -0.6868
120 L A 0.4269
121 A A 0.0000
122 H A -0.6761
123 S A 0.0000
124 L A -0.9828
125 T A -1.2768
126 T A -1.6222
127 R A -2.2868 mutated: GA127R
128 Q A -2.1173
129 T A -0.8103
130 G A 0.0000
131 Y A 0.2347
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 -0.1509
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015