Project name: SH3_Q110L

Status: done

submitted: 2019-03-14 19:08:06, status changed: 2019-03-14 20:57:09
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Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues QA110L
Energy difference between WT (input) and mutated protein (by FoldX) -0.440588 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
-3.1028
Maximal score value
1.7662
Average score
-0.8482
Total score value
-48.3479

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
85 T A 0.8157
86 L A 1.3230
87 F A 1.2971
88 V A 0.6427
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0435
100 D A 0.0000
101 L A 0.0000
102 S A -2.2060
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.2929
108 K A -0.2741
109 F A 0.0000
110 L A 1.1581 mutated: QA110L
111 I A 0.6443
112 L A 0.4033
113 N A -0.7790
114 S A -1.2283
115 S A -1.6128
116 E A -2.5599
117 G A -2.1340
118 D A -2.4444
119 W A -1.1028
120 W A -0.9215
121 E A -0.9770
122 A A 0.0000
123 R A -1.1426
124 S A 0.0000
125 L A 0.4973
126 T A -0.4326
127 T A -0.7956
128 G A -1.1346
129 E A -2.2180
130 T A -1.4895
131 G A -1.5144
132 Y A -0.8858
133 I A 0.0000
134 P A 0.0000
135 S A -0.9291
136 N A -1.1504
137 Y A -0.1243
138 V A 0.0000
139 A A 0.4013
140 P A 0.9256
141 V A 1.7662

 

Laboratory of Theory of Biopolymers 2015