Project name: SH3_D92Y

Status: done

submitted: 2019-03-14 18:58:33, status changed: 2019-03-14 19:39:01
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92Y
Energy difference between WT (input) and mutated protein (by FoldX) 1.69036 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
-3.1039
Maximal score value
1.7964
Average score
-0.744
Total score value
-42.4054

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 0.5173
86 L A 0.7932
87 F A 0.9246
88 V A 0.4329
89 A A 0.0000
90 L A 0.4831
91 Y A 0.9368
92 Y A 0.5414 mutated: DA92Y
93 Y A -0.4184
94 E A -1.9473
95 A A -2.3130
96 R A -2.9870
97 T A -2.6619
98 E A -3.1039
99 D A -3.0444
100 D A 0.0000
101 L A 0.0000
102 S A -1.6555
103 F A 0.0000
104 H A -1.3259
105 K A -1.1936
106 G A -0.9812
107 E A -0.8788
108 K A -0.6396
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8879
114 S A -1.1794
115 S A -1.5962
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -1.0557
121 E A -1.1530
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0606
126 T A -0.4713
127 T A -0.8199
128 G A -1.3572
129 E A -2.2413
130 T A -1.6937
131 G A -1.5006
132 Y A -0.8686
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1508
137 Y A 0.3436
138 V A 0.0000
139 A A 0.4153
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015