Project name: SH3_F86C

Status: done

submitted: 2019-03-14 15:09:54, status changed: 2019-03-14 15:35:27
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA86C
Energy difference between WT (input) and mutated protein (by FoldX) 3.90609 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
-3.4838
Maximal score value
1.2474
Average score
-0.9107
Total score value
-54.6423

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
81 G A -0.4988
82 S A -0.7459
83 H A -0.8924
84 M A 0.0117
85 T A 0.0000
86 C A 0.0000 mutated: FA86C
87 V A -0.7215
88 A A 0.0000
89 L A -0.3368
90 Y A -0.7367
91 D A -2.8528
92 Y A -2.1055
93 E A -2.8815
94 S A 0.0000
95 R A -2.7837
96 T A -2.1540
97 E A -2.3526
98 T A -1.2414
99 D A -1.3175
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4838
104 K A -2.8616
105 G A -1.9867
106 E A 0.0000
107 R A -2.1319
108 L A 0.0000
109 Q A -0.3539
110 I A 0.3534
111 V A 1.2474
112 N A -0.4122
113 N A -1.8016
114 T A -1.7236
115 E A -2.9248
116 G A -2.5987
117 D A -2.6736
118 W A -1.3192
119 W A -0.6558
120 L A 0.4215
121 A A 0.0000
122 H A -0.3850
123 S A 0.0000
124 L A -0.2796
125 T A -0.7803
126 T A -0.8780
127 G A -0.8169
128 Q A -1.4119
129 T A -0.4975
130 G A 0.0000
131 Y A 0.2329
132 I A 0.0000
133 P A 0.0000
134 S A -1.2751
135 N A -1.2433
136 Y A -0.2256
137 V A 0.0000
138 A A -0.0872
139 P A -0.2842
140 S A -0.2927

 

Laboratory of Theory of Biopolymers 2015