Project name: SH3_Y132D

Status: done

submitted: 2019-03-14 19:22:11, status changed: 2019-03-14 22:43:48
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA132D
Energy difference between WT (input) and mutated protein (by FoldX) 4.13803 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
-3.329
Maximal score value
1.7964
Average score
-1.0574
Total score value
-60.2739

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 0.5183
86 L A 0.7945
87 F A 0.9249
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.7384
96 R A -2.9852
97 T A -2.6608
98 E A -3.2084
99 D A -3.3290
100 D A 0.0000
101 L A 0.0000
102 S A -2.3176
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6420
109 F A 0.0000
110 Q A -0.5700
111 I A -0.2695
112 L A -0.1089
113 N A -1.1238
114 S A -1.3477
115 S A -1.6313
116 E A -2.5992
117 G A -2.1556
118 D A -2.5603
119 W A -1.4029
120 W A -1.5308
121 E A -1.9435
122 A A 0.0000
123 R A -1.9314
124 S A 0.0000
125 L A 0.0591
126 T A -0.4730
127 T A -0.8207
128 G A -1.3574
129 E A -2.2405
130 T A -1.9759
131 G A -2.0725
132 D A -1.8966 mutated: YA132D
133 I A 0.0000
134 P A 0.0000
135 S A -1.0747
136 N A -1.1417
137 Y A -0.1181
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