Project name: SH3_W119R

Status: done

submitted: 2019-03-14 19:14:42, status changed: 2019-03-14 21:46:15
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119R
Energy difference between WT (input) and mutated protein (by FoldX) 1.15055 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
-3.5951
Maximal score value
1.7964
Average score
-1.1636
Total score value
-66.3274

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 0.9232
88 V A 0.4303
89 A A 0.0000
90 L A -0.1542
91 Y A -0.5799
92 D A -2.5690
93 Y A -1.9537
94 E A -2.6539
95 A A -2.6385
96 R A -2.9873
97 T A -2.6610
98 E A -3.1071
99 D A -3.0526
100 D A 0.0000
101 L A 0.0000
102 S A -2.2165
103 F A 0.0000
104 H A -2.7333
105 K A -2.4098
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0605
112 L A 0.1393
113 N A -1.2239
114 S A -1.6765
115 S A -1.8976
116 E A -3.0108
117 G A -2.8207
118 D A -3.5951
119 R A -3.4526 mutated: WA119R
120 W A -2.2369
121 E A -1.7179
122 A A 0.0000
123 R A -1.7201
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.6997
131 G A -1.7926
132 Y A -1.6103
133 I A 0.0000
134 P A -1.5357
135 S A -1.6959
136 N A -1.5118
137 Y A -0.3873
138 V A 0.0000
139 A A 0.4154
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015