Project name: SH3_R107A

Status: done

submitted: 2019-03-14 15:23:03, status changed: 2019-03-14 16:53:45
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA107A
Energy difference between WT (input) and mutated protein (by FoldX) 1.47532 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
-3.2787
Maximal score value
1.2212
Average score
-0.7797
Total score value
-46.7796

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 -0.4627
82 S A -0.6986
83 H A -0.8044
84 M A 0.2413
85 T A 0.1863
86 F A 0.4007
87 V A 0.0371
88 A A 0.0000
89 L A -0.3125
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 -1.2408
99 D A -1.3222
100 L A 0.0000
101 S A -1.9031
102 F A 0.0000
103 K A -3.2787
104 K A -2.6201
105 G A -1.5031
106 E A 0.0000
107 A A -0.1860 mutated: RA107A
108 L A 0.0000
109 Q A 0.0808
110 I A 0.5749
111 V A 1.2212
112 N A -0.4325
113 N A -1.8138
114 T A -1.7326
115 E A -2.9361
116 G A -2.6085
117 D A -2.6844
118 W A -1.3421
119 W A -0.7000
120 L A 0.3890
121 A A 0.0000
122 H A -0.1322
123 S A 0.0000
124 L A 0.4189
125 T A -0.1483
126 T A -0.5779
127 G A -0.7575
128 Q A -1.3838
129 T A -0.4914
130 G A 0.0000
131 Y A 0.2169
132 I A 0.0000
133 P A 0.0000
134 S A -1.2855
135 N A -1.2485
136 Y A -0.2039
137 V A 0.0000
138 A A -0.0237
139 P A 0.0419
140 S A 0.1131

 

Laboratory of Theory of Biopolymers 2015