Project name: SH3_D92K

Status: done

submitted: 2019-03-14 18:58:11, status changed: 2019-03-14 19:35:05
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92K
Energy difference between WT (input) and mutated protein (by FoldX) 1.17376 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
-3.1027
Maximal score value
1.7837
Average score
-0.9563
Total score value
-54.5071

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 0.5254
86 L A 0.8108
87 F A 0.9052
88 V A 0.3682
89 A A 0.0000
90 L A -0.1581
91 Y A -0.5457
92 K A -2.4787 mutated: DA92K
93 Y A -1.9037
94 E A -2.6322
95 A A -2.6202
96 R A -2.9868
97 T A -2.6607
98 E A -3.1027
99 D A -3.0433
100 D A 0.0000
101 L A 0.0000
102 S A -2.1942
103 F A 0.0000
104 H A -2.7014
105 K A -2.3898
106 G A -1.4699
107 E A -1.3124
108 K A -0.6634
109 F A 0.0000
110 Q A -0.4991
111 I A -0.0519
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 -1.7014
124 S A 0.0000
125 L A 0.1042
126 T A -0.4495
127 T A -0.8066
128 G A -1.3409
129 E A -2.2315
130 T A -1.6867
131 G A -1.4991
132 Y A -0.8672
133 I A 0.0000
134 P A 0.0000
135 S A -0.9206
136 N A -1.1511
137 Y A -0.1255
138 V A 0.0000
139 A A 0.3954
140 P A 0.7647
141 V A 1.7837

 

Laboratory of Theory of Biopolymers 2015