Project name: SH3_Y93F

Status: done

submitted: 2019-03-14 18:58:46, status changed: 2019-03-14 19:39:47
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA93F
Energy difference between WT (input) and mutated protein (by FoldX) 1.23966 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
-3.1034
Maximal score value
1.7964
Average score
-0.9639
Total score value
-54.944

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 0.9257
88 V A 0.4335
89 A A 0.0000
90 L A -0.1331
91 Y A -0.5445
92 D A -2.5078
93 F A -1.8271 mutated: YA93F
94 E A -2.5958
95 A A -2.6010
96 R A -2.9736
97 T A -2.6608
98 E A -3.1034
99 D A -3.0446
100 D A 0.0000
101 L A 0.0000
102 S A -2.1740
103 F A 0.0000
104 H A -2.7035
105 K A -2.3866
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 -0.0573
112 L A 0.1425
113 N A -0.9102
114 S A -1.2123
115 S A -1.6169
116 E A -2.5909
117 G A -2.1821
118 D A -2.5193
119 W A -1.2508
120 W A -1.1317
121 E A -1.1900
122 A A 0.0000
123 R A -1.7161
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 -2.2402
130 T A -1.6937
131 G A -1.5190
132 Y A -0.9163
133 I A 0.0000
134 P A 0.0000
135 S A -0.9632
136 N A -1.1633
137 Y A -0.1038
138 V A 0.0000
139 A A 0.4199
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015