Project name: SH3_E94M

Status: done

submitted: 2019-03-14 18:59:40, status changed: 2019-03-14 19:47:15
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA94M
Energy difference between WT (input) and mutated protein (by FoldX) -0.58326 kcal/mol

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
1.7964
Average score
-0.797
Total score value
-45.43

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 -0.1513
91 Y A -0.2863
92 D A -1.9091
93 Y A -0.5289
94 M A 0.2278 mutated: EA94M
95 A A -1.2082
96 R A -2.2944
97 T A -2.3193
98 E A -3.1025
99 D A -3.0431
100 D A 0.0000
101 L A 0.0000
102 S A -1.0213
103 F A 0.0000
104 H A -2.3038
105 K A -2.4059
106 G A -1.4570
107 E A -1.3055
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 -2.2391
130 T A -1.6918
131 G A -1.4984
132 Y A -0.8667
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1251
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