Project name: SH3_D92Q

Status: done

submitted: 2019-03-14 18:58:21, status changed: 2019-03-14 19:35:37
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92Q
Energy difference between WT (input) and mutated protein (by FoldX) 1.13909 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
-0.9189
Total score value
-52.3801

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 -0.0314
91 Y A -0.2871
92 Q A -1.9702 mutated: DA92Q
93 Y A -1.6454
94 E A -2.5151
95 A A -2.5690
96 R A -2.9865
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 -2.1089
103 F A 0.0000
104 H A -2.4613
105 K A -2.1739
106 G A -1.3651
107 E A -1.2209
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 -0.0357
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