Project name: SH3_P139R

Status: done

submitted: 2019-03-14 17:15:42, status changed: 2019-03-14 18:49:04
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA139R
Energy difference between WT (input) and mutated protein (by FoldX) 1.26359 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
-3.4838
Maximal score value
1.2453
Average score
-0.9875
Total score value
-59.2483

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 -0.4939
82 S A -0.7407
83 H A -0.8881
84 M A -0.2973
85 T A 0.0000
86 F A 0.0000
87 V A -1.1439
88 A A 0.0000
89 L A -0.3362
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
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 -1.3255
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9867
106 E A 0.0000
107 R A -2.3049
108 L A 0.0000
109 Q A -0.5080
110 I A 0.1989
111 V A 1.2453
112 N A -0.4270
113 N A -1.8228
114 T A -1.7372
115 E A -2.9418
116 G A -2.6132
117 D A -2.6896
118 W A -1.3536
119 W A -0.7206
120 L A 0.3935
121 A A 0.0000
122 H A -0.3864
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4950
130 G A 0.0000
131 Y A 0.2120
132 I A 0.0000
133 P A 0.0000
134 S A -1.2913
135 N A -1.2501
136 Y A -0.2251
137 V A 0.0000
138 A A -0.8611
139 R A -1.8677 mutated: PA139R
140 S A -1.0666

 

Laboratory of Theory of Biopolymers 2015