Project name: SH3_L112A

Status: done

submitted: 2019-03-14 19:09:12, status changed: 2019-03-14 21:04:18
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA112A
Energy difference between WT (input) and mutated protein (by FoldX) 1.66597 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
-3.1026
Maximal score value
1.7949
Average score
-1.0582
Total score value
-60.3153

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 0.4548
86 L A 0.6475
87 F A 0.8362
88 V A 0.3749
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5597
93 Y A -1.9312
94 E A -2.6448
95 A A -2.6253
96 R A -2.9850
97 T A -2.6607
98 E A -3.1026
99 D A -3.0471
100 D A 0.0000
101 L A 0.0000
102 S A -2.2030
103 F A 0.0000
104 H A -2.7280
105 K A -2.4059
106 G A -1.4581
107 E A -1.3340
108 K A -0.7732
109 F A 0.0000
110 Q A -1.0904
111 I A -0.5743
112 A A -0.6662 mutated: LA112A
113 N A -1.2740
114 S A -1.3405
115 S A -1.6853
116 E A -2.5662
117 G A -2.1386
118 D A -2.4493
119 W A -1.1127
120 W A -1.2598
121 E A -1.4915
122 A A 0.0000
123 R A -2.1991
124 S A 0.0000
125 L A -0.2230
126 T A -0.6003
127 T A -0.9579
128 G A -1.6357
129 E A -2.3777
130 T A -1.9429
131 G A -1.6361
132 Y A -0.9777
133 I A 0.0000
134 P A 0.0000
135 S A -0.9218
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4151
140 P A 0.7415
141 V A 1.7949

 

Laboratory of Theory of Biopolymers 2015