Project name: SH3_A139P

Status: done

submitted: 2019-03-14 19:25:26, status changed: 2019-03-14 23:05:50
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA139P
Energy difference between WT (input) and mutated protein (by FoldX) 1.54564 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
-3.1028
Maximal score value
1.7744
Average score
-0.9572
Total score value
-54.5623

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 0.5087
86 L A 0.7791
87 F A 0.9193
88 V A 0.4353
89 A A 0.0000
90 L A 0.0070
91 Y A -0.5724
92 D A -2.5644
93 Y A -1.9304
94 E A -2.6558
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.7220
105 K A -2.3775
106 G A -1.4334
107 E A -1.2934
108 K A -0.6347
109 F A 0.0000
110 Q A -0.5116
111 I A -0.0568
112 L A 0.1429
113 N A -0.8879
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0557
121 E A -1.1530
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0570
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4992
132 Y A -0.8673
133 I A 0.0000
134 P A 0.0000
135 S A -0.9312
136 N A -1.1404
137 Y A -0.0951
138 V A 0.0000
139 P A 0.3968 mutated: AA139P
140 P A 0.7393
141 V A 1.7744

 

Laboratory of Theory of Biopolymers 2015