Project name: SH3_F87K

Status: done

submitted: 2019-03-14 18:55:21, status changed: 2019-03-14 19:15:08
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA87K
Energy difference between WT (input) and mutated protein (by FoldX) 3.22548 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
-3.1028
Maximal score value
1.6313
Average score
-0.998
Total score value
-56.8865

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
85 T A 0.4215
86 L A 0.5970
87 K A 0.4658 mutated: FA87K
88 V A 0.1494
89 A A 0.0000
90 L A -0.2275
91 Y A -0.5856
92 D A -2.5609
93 Y A -1.9321
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.7387
105 K A -2.4227
106 G A -1.5378
107 E A -1.3943
108 K A -0.8022
109 F A 0.0000
110 Q A -0.6004
111 I A -0.1231
112 L A 0.1502
113 N A -0.8833
114 S A -1.1756
115 S A -1.5959
116 E A -2.5595
117 G A -2.1336
118 D A -2.4439
119 W A -1.1019
120 W A -1.0507
121 E A -1.1483
122 A A 0.0000
123 R A -1.6977
124 S A 0.0000
125 L A 0.0576
126 T A -0.4501
127 T A -0.8069
128 G A -1.3409
129 E A -2.2315
130 T A -1.6851
131 G A -1.4975
132 Y A -0.8652
133 I A 0.0000
134 P A 0.0000
135 S A -0.9732
136 N A -1.1509
137 Y A -0.1876
138 V A 0.0000
139 A A 0.2429
140 P A 0.5716
141 V A 1.6313

 

Laboratory of Theory of Biopolymers 2015