Project name: SH3_S140P

Status: done

submitted: 2019-03-14 17:16:20, status changed: 2019-03-14 18:56:15
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA140P
Energy difference between WT (input) and mutated protein (by FoldX) 5.31037 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
-3.4824
Maximal score value
1.2488
Average score
-0.8951
Total score value
-53.7039

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 -0.4514
82 S A -0.6831
83 H A -0.7916
84 M A 0.2568
85 T A 0.0000
86 F A -0.1148
87 V A -0.6202
88 A A 0.0000
89 L A -0.3106
90 Y A -0.7357
91 D A -2.8532
92 Y A -2.1058
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3229
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4824
104 K A -2.8592
105 G A -1.9578
106 E A 0.0000
107 R A -2.0646
108 L A 0.0000
109 Q A -0.2450
110 I A 0.4350
111 V A 1.2488
112 N A -0.4204
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 0.4042
121 A A 0.0000
122 H A -0.3778
123 S A 0.0000
124 L A -0.2517
125 T A -0.7663
126 T A -0.8693
127 G A -0.8072
128 Q A -1.4066
129 T A -0.4917
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.2856
135 N A -1.2488
136 Y A -0.2024
137 V A 0.0000
138 A A -0.0276
139 P A -0.1679
140 P A -0.2138 mutated: SA140P

 

Laboratory of Theory of Biopolymers 2015