Project name: SH3_Y137H

Status: done

submitted: 2019-03-14 19:24:30, status changed: 2019-03-14 22:59:38
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA137H
Energy difference between WT (input) and mutated protein (by FoldX) 1.74845 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
1.7964
Average score
-0.9927
Total score value
-56.582

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 0.8596
88 V A 0.3459
89 A A 0.0000
90 L A -0.3253
91 Y A -0.7112
92 D A -2.6389
93 Y A -2.0162
94 E A -2.6404
95 A A -2.6234
96 R A -2.9841
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 -2.2028
103 F A 0.0000
104 H A -2.7257
105 K A -2.4783
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8883
114 S A -1.1799
115 S A -1.5966
116 E A -2.5603
117 G A -2.1347
118 D A -2.4455
119 W A -1.1642
120 W A -1.0568
121 E A -1.1535
122 A A 0.0000
123 R A -1.7155
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 -1.6927
131 G A -1.4995
132 Y A -0.8681
133 I A 0.0000
134 P A 0.0000
135 S A -1.1000
136 N A -1.4190
137 H A -0.6769 mutated: YA137H
138 V A 0.0000
139 A A 0.2980
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015