Project name: SH3_W119I

Status: done

submitted: 2019-03-14 19:14:25, status changed: 2019-03-14 21:44:29
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119I
Energy difference between WT (input) and mutated protein (by FoldX) 1.26455 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
-3.1047
Maximal score value
1.7964
Average score
-0.9415
Total score value
-53.6673

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 0.9233
88 V A 0.4316
89 A A 0.0000
90 L A -0.1470
91 Y A -0.5669
92 D A -2.5455
93 Y A -1.9059
94 E A -2.6312
95 A A -2.6234
96 R A -2.9819
97 T A -2.6608
98 E A -3.1047
99 D A -3.0484
100 D A 0.0000
101 L A 0.0000
102 S A -2.1989
103 F A 0.0000
104 H A -2.7210
105 K A -2.4006
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5060
111 I A -0.0529
112 L A 0.1545
113 N A -0.8356
114 S A -1.1060
115 S A -1.5542
116 E A -2.4996
117 G A -2.0515
118 D A -2.2827
119 I A -0.7519 mutated: WA119I
120 W A -0.8833
121 E A -1.0790
122 A A 0.0000
123 R A -1.7154
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3571
129 E A -2.2400
130 T A -1.6954
131 G A -1.4618
132 Y A -0.7767
133 I A 0.0000
134 P A -0.4329
135 S A -0.8219
136 N A -1.1039
137 Y A -0.0876
138 V A 0.0000
139 A A 0.4153
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015