Project name: SH3_H104D

Status: done

submitted: 2019-03-14 19:04:27, status changed: 2019-03-14 20:28:04
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA104D
Energy difference between WT (input) and mutated protein (by FoldX) 2.53817 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
-3.5253
Maximal score value
1.7964
Average score
-1.0136
Total score value
-57.7734

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 0.9260
88 V A 0.3451
89 A A 0.0000
90 L A -0.2710
91 Y A -0.7735
92 D A -2.9213
93 Y A -2.1364
94 E A -2.7675
95 A A -2.6304
96 R A -2.9869
97 T A -2.6622
98 E A -3.1042
99 D A -3.0446
100 D A 0.0000
101 L A 0.0000
102 S A -2.3785
103 F A 0.0000
104 D A -3.5253 mutated: HA104D
105 K A -2.7932
106 G A -1.6634
107 E A -1.5374
108 K A -0.7329
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0569
112 L A 0.1429
113 N A -0.8877
114 S A -1.1790
115 S A -1.5957
116 E A -2.5591
117 G A -2.1323
118 D A -2.4437
119 W A -1.1023
120 W A -1.0554
121 E A -1.1528
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0622
126 T A -0.5533
127 T A -0.8190
128 G A -1.3572
129 E A -2.2414
130 T A -1.6939
131 G A -1.5008
132 Y A -0.8688
133 I A 0.0000
134 P A 0.0000
135 S A -0.9205
136 N A -1.1505
137 Y A -0.1244
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