Project name: SH3_L112Y

Status: done

submitted: 2019-03-14 19:09:53, status changed: 2019-03-14 21:11:03
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA112Y
Energy difference between WT (input) and mutated protein (by FoldX) 1.18744 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
-3.1025
Maximal score value
1.7811
Average score
-0.9625
Total score value
-54.8614

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 0.5038
86 L A 0.7428
87 F A 0.8909
88 V A 0.4041
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5597
93 Y A -1.9312
94 E A -2.6448
95 A A -2.6253
96 R A -2.9850
97 T A -2.6607
98 E A -3.1025
99 D A -3.0443
100 D A 0.0000
101 L A 0.0000
102 S A -2.2035
103 F A 0.0000
104 H A -2.7280
105 K A -2.4059
106 G A -1.4581
107 E A -1.3504
108 K A -0.7011
109 F A 0.0000
110 Q A -0.4832
111 I A -0.0053
112 Y A 0.2148 mutated: LA112Y
113 N A -0.8635
114 S A -1.1714
115 S A -1.5923
116 E A -2.5623
117 G A -2.1357
118 D A -2.4461
119 W A -1.1059
120 W A -1.0405
121 E A -1.1302
122 A A 0.0000
123 R A -1.6680
124 S A 0.0000
125 L A -0.1085
126 T A -0.5506
127 T A -0.8410
128 G A -1.3371
129 E A -2.2177
130 T A -1.6591
131 G A -1.4749
132 Y A -0.8577
133 I A 0.0000
134 P A 0.0000
135 S A -0.9219
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4085
140 P A 0.7666
141 V A 1.7811

 

Laboratory of Theory of Biopolymers 2015