Project name: SH3_G127N

Status: done

submitted: 2019-03-14 15:36:13, status changed: 2019-03-14 18:13:08
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA127N
Energy difference between WT (input) and mutated protein (by FoldX) 2.8054 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
-3.483
Maximal score value
1.2609
Average score
-0.9387
Total score value
-56.3219

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 -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1044
87 V A -0.6223
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 -1.2414
99 D A -1.3229
100 L A 0.0000
101 S A -1.9026
102 F A 0.0000
103 K A -3.4830
104 K A -2.8616
105 G A -1.9621
106 E A 0.0000
107 R A -2.0885
108 L A 0.0000
109 Q A -0.2497
110 I A 0.4490
111 V A 1.2609
112 N A -0.4148
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 -0.6928
120 L A 0.4148
121 A A 0.0000
122 H A -0.5492
123 S A 0.0000
124 L A -0.6280
125 T A -1.0408
126 T A -1.2981
127 N A -1.6690 mutated: GA127N
128 Q A -1.8213
129 T A -0.6789
130 G A 0.0000
131 Y A 0.2264
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 -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015