Project name: SH3_E121P

Status: done

submitted: 2019-03-14 19:16:07, status changed: 2019-03-14 21:59:10
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA121P
Energy difference between WT (input) and mutated protein (by FoldX) 1.17638 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
-3.0914
Maximal score value
1.7964
Average score
-0.9007
Total score value
-51.3417

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 0.5183
86 L A 0.7945
87 F A 0.9250
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 -2.6452
95 A A -2.6137
96 R A -2.9852
97 T A -2.6608
98 E A -3.0914
99 D A -2.9619
100 D A 0.0000
101 L A 0.0000
102 S A -2.1948
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 -0.6420
109 F A 0.0000
110 Q A -0.3909
111 I A 0.1851
112 L A 0.5184
113 N A -0.6430
114 S A -1.0345
115 S A -1.5314
116 E A -2.5085
117 G A -2.0946
118 D A -2.3898
119 W A -0.9775
120 W A -0.7564
121 P A -0.5700 mutated: EA121P
122 A A 0.0000
123 R A -1.5587
124 S A 0.0000
125 L A 0.0581
126 T A -0.4730
127 T A -0.8219
128 G A -1.3595
129 E A -2.2446
130 T A -1.5426
131 G A -1.2694
132 Y A -0.5546
133 I A 0.0000
134 P A 0.0000
135 S A -0.8498
136 N A -1.1519
137 Y A -0.1254
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