Project name: SH3_Y91P

Status: done

submitted: 2019-03-14 18:57:41, status changed: 2019-03-14 19:31:40
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA91P
Energy difference between WT (input) and mutated protein (by FoldX) 2.50071 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
-3.1967
Maximal score value
1.7971
Average score
-1.0363
Total score value
-59.0671

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 0.5175
86 L A 0.7937
87 F A 0.9578
88 V A 0.3243
89 A A 0.0000
90 L A -0.5795
91 P A -1.8678 mutated: YA91P
92 D A -3.1967
93 Y A -2.2587
94 E A -2.7881
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -3.0467
105 K A -2.9391
106 G A -1.6694
107 E A -1.4506
108 K A -0.6160
109 F A 0.0000
110 Q A -0.5088
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 -1.1020
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 0.0594
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4995
132 Y A -0.8681
133 I A 0.0000
134 P A 0.0000
135 S A -0.9115
136 N A -1.2440
137 Y A -0.3717
138 V A 0.0000
139 A A 0.4780
140 P A 0.7763
141 V A 1.7971

 

Laboratory of Theory of Biopolymers 2015