Project name: SH3_Y137L

Status: done

submitted: 2019-03-14 19:24:37, status changed: 2019-03-14 22:59:48
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA137L
Energy difference between WT (input) and mutated protein (by FoldX) 0.675402 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
1.7964
Average score
-0.9785
Total score value
-55.777

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 0.5173
86 L A 0.7932
87 F A 0.9085
88 V A 0.4108
89 A A 0.0000
90 L A -0.1891
91 Y A -0.6011
92 D A -2.5678
93 Y A -1.9330
94 E A -2.6335
95 A A -2.6227
96 R A -2.9824
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.1981
103 F A 0.0000
104 H A -2.7228
105 K A -2.4196
106 G A -1.4592
107 E A -1.3102
108 K A -0.6438
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0569
112 L A 0.1429
113 N A -0.8883
114 S A -1.1800
115 S A -1.5966
116 E A -2.5603
117 G A -2.1376
118 D A -2.4526
119 W A -1.1300
120 W A -1.0638
121 E A -1.1572
122 A A 0.0000
123 R A -1.7155
124 S A 0.0000
125 L A 0.0587
126 T A -0.4736
127 T A -0.8209
128 G A -1.3572
129 E A -2.2401
130 T A -1.6927
131 G A -1.4995
132 Y A -0.8744
133 I A 0.0000
134 P A -0.6174
135 S A -0.9763
136 N A -1.2217
137 L A -0.2570 mutated: YA137L
138 V A 0.0000
139 A A 0.3885
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015