Project name: SH3_W119Q

Status: done

submitted: 2019-03-14 19:14:40, status changed: 2019-03-14 21:46:01
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA119Q
Energy difference between WT (input) and mutated protein (by FoldX) 2.03969 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
-3.136
Maximal score value
1.7964
Average score
-1.0834
Total score value
-61.7551

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 0.9237
88 V A 0.4309
89 A A 0.0000
90 L A -0.1476
91 Y A -0.5677
92 D A -2.5468
93 Y A -1.9080
94 E A -2.6321
95 A A -2.6238
96 R A -2.9821
97 T A -2.6608
98 E A -3.1046
99 D A -3.0473
100 D A 0.0000
101 L A 0.0000
102 S A -2.1995
103 F A 0.0000
104 H A -2.7222
105 K A -2.4017
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0584
112 L A 0.1414
113 N A -1.0888
114 S A -1.4771
115 S A -1.7771
116 E A -2.8305
117 G A -2.5468
118 D A -3.1360
119 Q A -2.5136 mutated: WA119Q
120 W A -1.7643
121 E A -1.4904
122 A A 0.0000
123 R A -1.7175
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 -1.6957
131 G A -1.6724
132 Y A -1.3089
133 I A 0.0000
134 P A -1.1423
135 S A -1.3874
136 N A -1.3681
137 Y A -0.2749
138 V A 0.0000
139 A A 0.4162
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015