Project name: SH3_E93P

Status: done

submitted: 2019-03-14 15:14:59, status changed: 2019-03-14 16:05:23
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA93P
Energy difference between WT (input) and mutated protein (by FoldX) 1.34229 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
-3.2703
Maximal score value
1.2498
Average score
-0.8544
Total score value
-51.2668

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
81 G A -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2668
85 T A 0.0000
86 F A -0.1044
87 V A -0.6223
88 A A 0.0000
89 L A -0.3172
90 Y A -0.7469
91 D A -2.5349
92 Y A -1.4092
93 P A -1.3744 mutated: EA93P
94 S A -1.4605
95 R A -2.4428
96 T A -1.9774
97 E A -2.3566
98 T A -1.2520
99 D A -1.1224
100 L A 0.0000
101 S A -1.3642
102 F A 0.0000
103 K A -3.2703
104 K A -2.8683
105 G A -1.9621
106 E A 0.0000
107 R A -2.0714
108 L A 0.0000
109 Q A -0.2491
110 I A 0.4372
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6978
120 L A 0.4047
121 A A 0.0000
122 H A -0.3840
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8852
127 G A -0.8169
128 Q A -1.4227
129 T A -0.5047
130 G A 0.0000
131 Y A 0.2078
132 I A 0.0000
133 P A 0.0000
134 S A -1.2857
135 N A -1.2485
136 Y A -0.2103
137 V A 0.0000
138 A A -0.0212
139 P A -0.1505
140 S A -0.1759

 

Laboratory of Theory of Biopolymers 2015