Project name: SH3_R96G

Status: done

submitted: 2019-03-14 19:00:51, status changed: 2019-03-14 19:56:00
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA96G
Energy difference between WT (input) and mutated protein (by FoldX) 1.28671 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
-2.9291
Maximal score value
1.7964
Average score
-0.9239
Total score value
-52.6598

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 0.9234
88 V A 0.4306
89 A A 0.0000
90 L A -0.1452
91 Y A -0.5619
92 D A -2.5351
93 Y A -1.7483
94 E A -2.3231
95 A A -2.0110
96 G A -1.6583 mutated: RA96G
97 T A -2.0622
98 E A -2.8886
99 D A -2.9291
100 D A -1.9432
101 L A 0.0000
102 S A -2.0312
103 F A 0.0000
104 H A -2.7160
105 K A -2.3977
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 -0.0568
112 L A 0.1429
113 N A -0.8642
114 S A -1.1440
115 S A -1.5746
116 E A -2.5276
117 G A -2.0850
118 D A -2.3629
119 W A -0.9702
120 W A -1.0005
121 E A -1.1483
122 A A 0.0000
123 R A -1.7155
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 -1.7272
131 G A -1.5627
132 Y A -0.9194
133 I A 0.0000
134 P A 0.0000
135 S A -0.8666
136 N A -1.1254
137 Y A -0.0978
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