Project name: SH3_H104C

Status: done

submitted: 2019-03-14 19:04:25, status changed: 2019-03-14 20:28:03
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA104C
Energy difference between WT (input) and mutated protein (by FoldX) 1.00465 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
-3.1042
Maximal score value
1.7964
Average score
-0.8446
Total score value
-48.1396

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 0.9255
88 V A 0.6283
89 A A 0.0000
90 L A 0.1104
91 Y A -0.1460
92 D A -1.7906
93 Y A -1.5065
94 E A -2.3993
95 A A -2.6306
96 R A -2.9870
97 T A -2.6622
98 E A -3.1042
99 D A -3.0447
100 D A 0.0000
101 L A 0.0000
102 S A -1.8740
103 F A 0.0000
104 C A -1.0243 mutated: HA104C
105 K A -1.5675
106 G A -1.0003
107 E A -0.7762
108 K A -0.4298
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 0.0615
126 T A -0.2916
127 T A -0.8194
128 G A -1.3572
129 E A -2.2415
130 T A -1.6939
131 G A -1.5009
132 Y A -0.8689
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1504
137 Y A -0.1243
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