Project name: r1_wo [mutate: PA112H]

Status: done

submitted: 2018-11-07 12:38:20, status changed: 2018-11-07 12:43:28
Settings
Chain sequence(s) A: TSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA112H
Energy difference between WT (input) and mutated protein (by FoldX) 2.87781 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
-3.1348
Maximal score value
0.6216
Average score
-0.9358
Total score value
-72.9962

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 -0.5964
104 S A -0.1865
105 D A -0.3826
106 L A 0.0000
107 I A -0.1394
108 V A 0.0000
109 L A 0.1195
110 G A -0.0165
111 L A 0.0000
112 H A -0.9363 mutated: PA112H
113 W A -0.5203
114 K A -1.8080
115 T A 0.0000
116 T A -2.0332
117 E A -2.5595
118 Q A -2.9622
119 D A -3.1348
120 L A 0.0000
121 K A -2.7583
122 E A -2.9165
123 Y A -1.5140
124 F A 0.0000
125 S A -1.2752
126 T A -0.6586
127 F A -0.7904
128 G A -1.2046
129 E A -1.9729
130 V A 0.0000
131 L A 0.6216
132 M A 0.1453
133 V A -0.8244
134 Q A -1.2891
135 V A 0.0000
136 K A -1.8108
137 K A -2.0012
138 D A -1.5165
139 L A -0.0888
140 K A -1.4693
141 T A -1.1959
142 G A -1.5432
143 H A -2.1222
144 S A -1.8800
145 K A -2.2201
146 G A -0.9784
147 F A -0.1884
148 G A 0.0000
149 F A -0.1810
150 V A 0.0000
151 R A -0.7162
152 F A 0.0000
153 T A -1.0970
154 E A -1.8679
155 Y A -0.7058
156 E A -1.7969
157 T A -1.3811
158 Q A 0.0000
159 V A -0.3191
160 K A -1.0884
161 V A 0.0000
162 M A -0.7691
163 S A -1.1359
164 Q A -1.6518
165 R A -2.1523
166 H A 0.0000
167 M A -0.4939
168 I A 0.0000
169 D A -2.3729
170 G A -1.7052
171 R A -1.8484
172 W A -0.2958
173 C A 0.0000
174 D A -1.0475
175 C A 0.0000
176 K A -1.2969
177 L A 0.0970
178 P A -0.5523
179 N A -1.3017
180 S A -0.7080

 

Laboratory of Theory of Biopolymers 2015