Project name: 4c400d157e87652 [mutate: PA112H, DA169G]

Status: done

submitted: 2018-11-07 11:11:13, status changed: 2018-11-07 11:20:04
Settings
Chain sequence(s) A: TSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA112H, DA169G
Energy difference between WT (input) and mutated protein (by FoldX) 4.92818 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
-3.1906
Maximal score value
0.6915
Average score
-0.7176
Total score value
-55.9739

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
103 T A -0.5675
104 S A -0.0741
105 D A -0.1859
106 L A 0.0000
107 I A 0.0000
108 V A 0.0000
109 L A -0.1417
110 G A 0.0087
111 L A 0.0000
112 H A -0.8698 mutated: PA112H
113 W A -1.2043
114 K A -2.0350
115 T A 0.0000
116 T A -2.1199
117 E A -2.5874
118 Q A -3.0913
119 D A -3.1906
120 L A 0.0000
121 K A -2.8885
122 E A -3.0368
123 Y A -1.4582
124 F A 0.0000
125 S A -1.2891
126 T A -0.6723
127 F A -0.7781
128 G A -1.1668
129 E A -1.9441
130 V A -0.7654
131 L A 0.6908
132 M A 0.2376
133 V A -0.6879
134 Q A -0.8773
135 V A 0.0000
136 K A 0.0000
137 K A -1.3442
138 D A -0.9563
139 L A 0.1849
140 K A -1.3168
141 T A -0.9028
142 G A -0.8994
143 H A -1.3730
144 S A 0.0000
145 K A -1.5524
146 G A 0.0000
147 F A 0.0000
148 G A 0.0000
149 F A 0.0000
150 V A 0.0000
151 R A -0.6487
152 F A 0.0000
153 T A -1.1027
154 E A -1.9204
155 Y A -0.5806
156 E A -1.6600
157 T A -1.2366
158 Q A 0.0000
159 V A 0.0043
160 K A -0.7625
161 V A 0.0000
162 M A -0.4156
163 S A -0.9472
164 Q A -1.6172
165 R A -1.9862
166 H A 0.0000
167 M A 0.1641
168 I A 0.0000
169 G A -0.9258 mutated: DA169G
170 G A -0.5695
171 R A -0.4237
172 W A 0.3733
173 C A 0.0000
174 D A -0.8369
175 C A 0.0000
176 K A -0.5930
177 L A 0.6915
178 P A -0.2842
179 N A -1.1774
180 S A -0.6640

 

Laboratory of Theory of Biopolymers 2015