Project name: SH3_T125P

Status: done

submitted: 2019-03-14 15:34:44, status changed: 2019-03-14 18:06:28
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues TA125P
Energy difference between WT (input) and mutated protein (by FoldX) 1.80736 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
-3.5145
Maximal score value
1.2498
Average score
-0.9404
Total score value
-56.4246

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 -0.1336
87 V A -0.6788
88 A A 0.0000
89 L A -0.3236
90 Y A -0.7186
91 D A -2.7929
92 Y A -2.0656
93 E A -2.8632
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 -1.8902
102 F A 0.0000
103 K A -3.5145
104 K A -2.8879
105 G A -2.0574
106 E A -2.0124
107 R A -2.2017
108 L A 0.0000
109 Q A -0.2501
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 -0.4034
123 S A 0.0000
124 L A -0.3829
125 P A -0.9679 mutated: TA125P
126 T A -0.9797
127 G A -0.8571
128 Q A -1.4356
129 T A -0.4969
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.2857
135 N A -1.2485
136 Y A -0.1912
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