Project name: SH3_W119R

Status: done

submitted: 2019-03-14 15:31:51, status changed: 2019-03-14 17:48:13
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119R
Energy difference between WT (input) and mutated protein (by FoldX) 2.42055 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
1.139
Average score
-0.9413
Total score value
-56.4803

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 -0.4516
82 S A -0.6832
83 H A -0.7912
84 M A 0.2640
85 T A 0.0000
86 F A -0.1147
87 V A -0.6268
88 A A 0.0000
89 L A -0.3136
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 -1.3852
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 -1.9632
106 E A 0.0000
107 R A -2.0746
108 L A 0.0000
109 Q A -0.2541
110 I A 0.3040
111 V A 1.1390
112 N A -0.5907
113 N A -2.0245
114 T A -1.8385
115 E A -3.0694
116 G A -2.7223
117 D A -2.8113
118 W A -1.6130
119 R A -1.2505 mutated: WA119R
120 L A 0.1326
121 A A 0.0000
122 H A -0.4435
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 -0.4955
130 G A 0.0000
131 Y A 0.0329
132 I A 0.0000
133 P A 0.0000
134 S A -1.4395
135 N A -1.3072
136 Y A -0.2059
137 V A 0.0000
138 A A -0.0248
139 P A -0.1551
140 S A -0.1792

 

Laboratory of Theory of Biopolymers 2015