Project name: r1_wo [mutate: DA169G]

Status: done

submitted: 2018-11-07 12:49:45, status changed: 2018-11-07 12:53:21
Settings
Chain sequence(s) A: TSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA169G
Energy difference between WT (input) and mutated protein (by FoldX) 0.958137 kcal/mol

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
-3.0962
Maximal score value
0.6216
Average score
-0.8891
Total score value
-69.3503

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 0.1383
110 G A -0.0256
111 L A 0.0000
112 P A 0.0000
113 W A -0.2963
114 K A -1.5773
115 T A 0.0000
116 T A -2.0551
117 E A -2.5945
118 Q A -3.0232
119 D A -3.0962
120 L A 0.0000
121 K A -2.8008
122 E A -2.9641
123 Y A -1.4068
124 F A 0.0000
125 S A -1.2893
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 -0.8366
134 Q A -1.2875
135 V A 0.0000
136 K A -1.8133
137 K A -2.0084
138 D A -1.5208
139 L A -0.0918
140 K A -1.4713
141 T A -1.1989
142 G A -1.5492
143 H A -2.1261
144 S A -1.8585
145 K A -2.2030
146 G A -0.9368
147 F A -0.1659
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 -2.1767
166 H A 0.0000
167 M A -0.2408
168 I A 0.0000
169 G A -1.1240 mutated: DA169G
170 G A -1.1578
171 R A -1.6801
172 W A -0.2062
173 C A 0.0000
174 D A -1.0709
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