Project name: SH3_E116P

Status: done

submitted: 2019-03-14 19:12:25, status changed: 2019-03-14 21:30:37
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA116P
Energy difference between WT (input) and mutated protein (by FoldX) 1.02874 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
-3.075
Maximal score value
1.7964
Average score
-0.9026
Total score value
-51.4495

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 0.9250
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 -2.5961
96 R A -2.9852
97 T A -2.6608
98 E A -3.0750
99 D A -2.9779
100 D A 0.0000
101 L A 0.0000
102 S A -2.1764
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 -0.6204
111 I A -0.2894
112 L A -0.3157
113 N A -1.1861
114 S A -1.0049
115 S A -1.0273
116 P A -1.1246 mutated: EA116P
117 G A -1.4262
118 D A -2.1141
119 W A -0.7530
120 W A -0.8522
121 E A -1.0846
122 A A 0.0000
123 R A -1.7147
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3573
129 E A -2.2402
130 T A -1.6628
131 G A -1.3896
132 Y A -0.7075
133 I A 0.0000
134 P A 0.0000
135 S A -0.8658
136 N A -1.1416
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