Project name: SH3_D92R

Status: done

submitted: 2019-03-14 18:58:23, status changed: 2019-03-14 19:35:46
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92R
Energy difference between WT (input) and mutated protein (by FoldX) 1.36052 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
-3.1029
Maximal score value
1.7964
Average score
-0.9642
Total score value
-54.9617

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 0.9242
88 V A 0.4320
89 A A 0.0000
90 L A -0.1633
91 Y A -0.6039
92 R A -2.6196 mutated: DA92R
93 Y A -1.9691
94 E A -2.6629
95 A A -2.6343
96 R A -2.9865
97 T A -2.6609
98 E A -3.1029
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2194
103 F A 0.0000
104 H A -2.7549
105 K A -2.4284
106 G A -1.4653
107 E A -1.3130
108 K A -0.6415
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8879
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0557
121 E A -1.1530
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0596
126 T A -0.4724
127 T A -0.8204
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4992
132 Y A -0.8674
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1344
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015