Project name: SH3_R107H

Status: done

submitted: 2019-03-14 15:23:18, status changed: 2019-03-14 16:57:06
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA107H
Energy difference between WT (input) and mutated protein (by FoldX) 1.46203 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
-3.3817
Maximal score value
1.2324
Average score
-0.8349
Total score value
-50.0936

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 -0.4582
82 S A -0.6924
83 H A -0.7996
84 M A 0.2496
85 T A -0.0196
86 F A 0.1107
87 V A -0.3858
88 A A 0.0000
89 L A -0.3483
90 Y A -0.7533
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 -1.9030
102 F A 0.0000
103 K A -3.3817
104 K A -2.7501
105 G A -1.7430
106 E A 0.0000
107 H A -1.0163 mutated: RA107H
108 L A 0.0000
109 Q A -0.0598
110 I A 0.5126
111 V A 1.2324
112 N A -0.4275
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 0.3954
121 A A 0.0000
122 H A -0.2149
123 S A 0.0000
124 L A 0.2324
125 T A -0.3633
126 T A -0.6697
127 G A -0.7388
128 Q A -1.3726
129 T A -0.4781
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 -0.2243
137 V A 0.0000
138 A A -0.0665
139 P A -0.0798
140 S A -0.0541

 

Laboratory of Theory of Biopolymers 2015