Project name: SH3_G117P

Status: done

submitted: 2019-03-14 19:13:09, status changed: 2019-03-14 21:36:22
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA117P
Energy difference between WT (input) and mutated protein (by FoldX) 5.29685 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
-3.097
Maximal score value
1.7964
Average score
-0.9529
Total score value
-54.3167

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
85 T A 0.5173
86 L A 0.7932
87 F A 0.9232
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6196
96 R A -2.9852
97 T A -2.6608
98 E A -3.0970
99 D A -3.0304
100 D A 0.0000
101 L A 0.0000
102 S A -2.1997
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5014
111 I A -0.0329
112 L A 0.1799
113 N A -0.8184
114 S A -1.1406
115 S A -1.5641
116 E A -2.5247
117 P A -2.0782 mutated: GA117P
118 D A -2.4350
119 W A -1.1321
120 W A -1.0377
121 E A -1.1182
122 A A 0.0000
123 R A -1.7083
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6827
131 G A -1.4833
132 Y A -0.8325
133 I A 0.0000
134 P A 0.0000
135 S A -0.9321
136 N A -1.1632
137 Y A -0.1337
138 V A 0.0000
139 A A 0.4150
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015