Project name: SH3_A95H

Status: done

submitted: 2019-03-14 19:00:08, status changed: 2019-03-14 19:49:49
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA95H
Energy difference between WT (input) and mutated protein (by FoldX) 1.08012 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
-3.1601
Maximal score value
1.7964
Average score
-0.9803
Total score value
-55.8766

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 0.9242
88 V A 0.4320
89 A A 0.0000
90 L A -0.1508
91 Y A -0.5745
92 D A -2.5907
93 Y A -2.0117
94 E A -2.8076
95 H A -2.9671 mutated: AA95H
96 R A -3.1503
97 T A -2.7464
98 E A -3.1601
99 D A -3.0955
100 D A 0.0000
101 L A 0.0000
102 S A -2.3160
103 F A 0.0000
104 H A -2.7214
105 K A -2.4052
106 G A -1.4570
107 E A -1.3055
108 K A -0.6415
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8886
114 S A -1.1804
115 S A -1.5969
116 E A -2.5608
117 G A -2.1354
118 D A -2.4469
119 W A -1.1078
120 W A -1.0582
121 E A -1.1542
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0596
126 T A -0.4724
127 T A -0.8204
128 G A -1.3572
129 E A -2.2365
130 T A -1.6896
131 G A -1.5357
132 Y A -0.9117
133 I A 0.0000
134 P A 0.0000
135 S A -0.9222
136 N A -1.1512
137 Y A -0.1249
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