Project name: SH3_Y137I

Status: done

submitted: 2019-03-14 19:24:32, status changed: 2019-03-14 22:59:42
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA137I
Energy difference between WT (input) and mutated protein (by FoldX) 2.9531 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
-0.9713
Total score value
-55.3622

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 0.9202
88 V A 0.4266
89 A A 0.0000
90 L A -0.1559
91 Y A -0.5724
92 D A -2.5452
93 Y A -1.9007
94 E A -2.6259
95 A A -2.6186
96 R A -2.9807
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 -2.1931
103 F A 0.0000
104 H A -2.7183
105 K A -2.4032
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 -0.0569
112 L A 0.1429
113 N A -0.8890
114 S A -1.1810
115 S A -1.5972
116 E A -2.5613
117 G A -2.1389
118 D A -2.4546
119 W A -1.1239
120 W A -1.0659
121 E A -1.1581
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 -1.5001
132 Y A -0.8755
133 I A 0.0000
134 P A -0.5858
135 S A -0.9456
136 N A -1.1746
137 I A -0.1568 mutated: YA137I
138 V A 0.0000
139 A A 0.4093
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015