Project name: SH3_D99V

Status: done

submitted: 2019-03-14 19:03:34, status changed: 2019-03-14 20:14:48
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Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA99V
Energy difference between WT (input) and mutated protein (by FoldX) -0.192453 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
-2.7282
Maximal score value
1.7964
Average score
-0.7665
Total score value
-43.6891

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 0.9238
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6443
95 A A -2.0233
96 R A -2.3819
97 T A -1.4908
98 E A -1.3549
99 V A 0.5248 mutated: DA99V
100 D A 0.0000
101 L A 0.0000
102 S A -1.8253
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5094
111 I A -0.0561
112 L A 0.1432
113 N A -0.8890
114 S A -1.1797
115 S A -1.5973
116 E A -2.5609
117 G A -2.1350
118 D A -2.4444
119 W A -1.1017
120 W A -1.0533
121 E A -0.7337
122 A A 0.0000
123 R A -1.7137
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.2207
131 G A -0.4167
132 Y A 0.1082
133 I A 0.0000
134 P A 0.0000
135 S A -0.9196
136 N A -1.1508
137 Y A -0.1246
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