Project name: aa16983c6ad1e0a [mutate: PA112H, DA169G]

Status: done

submitted: 2018-11-07 11:12:33, status changed: 2018-11-07 11:18:46
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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) 4.89508 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
-3.108
Maximal score value
0.6216
Average score
-0.8946
Total score value
-69.7751

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 0.1159
110 G A -0.0173
111 L A 0.0000
112 H A -0.6560 mutated: PA112H
113 W A -0.3873
114 K A -1.6354
115 T A 0.0000
116 T A -2.0823
117 E A -2.5982
118 Q A -3.0289
119 D A -3.1080
120 L A 0.0000
121 K A -2.8047
122 E A -2.9684
123 Y A -1.4100
124 F A 0.0000
125 S A -1.2905
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 0.1462
133 V A -0.8378
134 Q A -1.2875
135 V A 0.0000
136 K A -1.8130
137 K A -2.0078
138 D A -1.5201
139 L A -0.0912
140 K A -1.4708
141 T A -1.1979
142 G A -1.5472
143 H A -2.1251
144 S A -1.8871
145 K A -2.2263
146 G A -0.9877
147 F A -0.1939
148 G A 0.0000
149 F A -0.1801
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 -2.1488
166 H A 0.0000
167 M A -0.1682
168 I A 0.0000
169 G A -1.0942 mutated: DA169G
170 G A -1.0623
171 R A -1.4585
172 W A -0.0997
173 C A 0.0000
174 D A -1.0441
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