Project name: SH3_D92I

Status: done

submitted: 2019-03-14 18:58:09, status changed: 2019-03-14 19:34:14
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92I
Energy difference between WT (input) and mutated protein (by FoldX) 1.32477 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
-3.1026
Maximal score value
1.7964
Average score
-0.6956
Total score value
-39.6494

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 0.9239
88 V A 0.4314
89 A A 0.0000
90 L A 0.6241
91 Y A 1.2735
92 I A 1.2353 mutated: DA92I
93 Y A -0.0830
94 E A -1.7895
95 A A -2.2398
96 R A -2.9864
97 T A -2.6606
98 E A -3.1026
99 D A -3.0432
100 D A 0.0000
101 L A 0.0000
102 S A -1.5215
103 F A 0.0000
104 H A -1.0122
105 K A -0.9245
106 G A -0.8768
107 E A -0.7885
108 K A -0.6418
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 -2.2400
130 T A -1.6926
131 G A -1.4990
132 Y A -0.8672
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1508
137 Y A 0.4473
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