Project name: SH3_Y93Q

Status: done

submitted: 2019-03-14 18:59:03, status changed: 2019-03-14 19:41:19
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93Q
Energy difference between WT (input) and mutated protein (by FoldX) 3.94935 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
-3.1645
Maximal score value
1.7964
Average score
-1.0457
Total score value
-59.6058

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 0.9201
88 V A 0.4270
89 A A 0.0000
90 L A -0.1952
91 Y A -0.6569
92 D A -2.7097
93 Q A -2.2560 mutated: YA93Q
94 E A -2.8213
95 A A -2.7710
96 R A -3.0689
97 T A -2.7193
98 E A -3.1645
99 D A -3.1457
100 D A -2.3202
101 L A 0.0000
102 S A -2.3511
103 F A 0.0000
104 H A -2.8041
105 K A -2.4612
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5085
111 I A -0.0562
112 L A 0.1440
113 N A -0.9103
114 S A -1.2166
115 S A -1.6259
116 E A -2.6051
117 G A -2.2149
118 D A -2.5285
119 W A -1.2744
120 W A -1.1492
121 E A -1.2154
122 A A 0.0000
123 R A -1.7149
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2402
130 T A -1.7228
131 G A -1.5859
132 Y A -0.9938
133 I A 0.0000
134 P A 0.0000
135 S A -0.9792
136 N A -1.1829
137 Y A -0.2135
138 V A 0.0000
139 A A 0.4100
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015