Project name: SH3_Y132H

Status: done

submitted: 2019-03-14 19:22:17, status changed: 2019-03-14 22:43:52
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA132H
Energy difference between WT (input) and mutated protein (by FoldX) 1.80853 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
-3.2121
Maximal score value
1.7964
Average score
-1.0111
Total score value
-57.6337

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 0.5183
86 L A 0.7945
87 F A 0.9250
88 V A 0.4313
89 A A 0.0000
90 L A -0.1510
91 Y A -0.5746
92 D A -2.5594
93 Y A -1.9306
94 E A -2.6434
95 A A -2.6924
96 R A -2.9794
97 T A -2.6490
98 E A -3.1626
99 D A -3.2121
100 D A 0.0000
101 L A 0.0000
102 S A -2.2738
103 F A 0.0000
104 H A -2.7280
105 K A -2.4058
106 G A -1.4581
107 E A -1.3078
108 K A -0.6420
109 F A 0.0000
110 Q A -0.5306
111 I A -0.1559
112 L A 0.0397
113 N A -0.9836
114 S A -1.2545
115 S A -1.6016
116 E A -2.5700
117 G A -2.1343
118 D A -2.4987
119 W A -1.2531
120 W A -1.3063
121 E A -1.5790
122 A A 0.0000
123 R A -1.8341
124 S A 0.0000
125 L A 0.0591
126 T A -0.4730
127 T A -0.8207
128 G A -1.3569
129 E A -2.2393
130 T A -1.8538
131 G A -1.8328
132 H A -1.4790 mutated: YA132H
133 I A 0.0000
134 P A 0.0000
135 S A -1.0035
136 N A -1.1412
137 Y A -0.1176
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015