Project name: r1_w [mutate: PA112H]

Status: done

submitted: 2018-11-07 12:34:04, status changed: 2018-11-07 12:39:33
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) 3.18751 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
-3.1769
Maximal score value
0.7081
Average score
-0.7545
Total score value
-58.8503

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 -0.1420
110 G A 0.0057
111 L A 0.0000
112 H A -1.1876 mutated: PA112H
113 W A -1.3618
114 K A -2.2249
115 T A 0.0000
116 T A -2.0669
117 E A -2.5281
118 Q A -2.9790
119 D A -3.1769
120 L A 0.0000
121 K A -2.7066
122 E A -2.9182
123 Y A -1.5207
124 F A 0.0000
125 S A -1.2335
126 T A -0.6538
127 F A -0.7778
128 G A -1.1664
129 E A -1.9272
130 V A -0.7345
131 L A 0.7081
132 M A 0.2590
133 V A -0.6422
134 Q A -0.8698
135 V A 0.0000
136 K A 0.0000
137 K A -1.3653
138 D A -0.9642
139 L A 0.1811
140 K A -1.3175
141 T A -0.9021
142 G A -0.8962
143 H A -1.3752
144 S A 0.0000
145 K A -1.5560
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 -1.1025
154 E A -1.9202
155 Y A -0.5806
156 E A -1.6600
157 T A -1.2365
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 -1.9871
166 H A 0.0000
167 M A -0.1637
168 I A 0.0000
169 D A -2.2338
170 G A -1.2210
171 R A -0.8058
172 W A 0.1806
173 C A 0.0000
174 D A -0.8377
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