Project name: SH3_E107K

Status: done

submitted: 2019-03-14 19:06:41, status changed: 2019-03-14 20:43:47
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA107K
Energy difference between WT (input) and mutated protein (by FoldX) 1.70721 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
-3.105
Maximal score value
1.7964
Average score
-0.9683
Total score value
-55.1903

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 0.9086
88 V A 0.4001
89 A A 0.0000
90 L A -0.1660
91 Y A -0.5874
92 D A -2.5767
93 Y A -1.9374
94 E A -2.6527
95 A A -2.6332
96 R A -2.9881
97 T A -2.6630
98 E A -3.1050
99 D A -3.0454
100 D A 0.0000
101 L A 0.0000
102 S A -2.2242
103 F A 0.0000
104 H A -2.7623
105 K A -2.4370
106 G A -1.5063
107 K A -1.4075 mutated: EA107K
108 K A -0.6909
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8883
114 S A -1.1799
115 S A -1.5966
116 E A -2.5603
117 G A -2.1347
118 D A -2.4456
119 W A -1.1053
120 W A -1.0569
121 E A -1.1536
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0384
126 T A -0.4974
127 T A -0.8321
128 G A -1.3572
129 E A -2.2423
130 T A -1.6946
131 G A -1.5021
132 Y A -0.8705
133 I A 0.0000
134 P A 0.0000
135 S A -0.9214
136 N A -1.1508
137 Y A -0.1246
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