Project name: SH3_A138N

Status: done

submitted: 2019-03-14 17:14:57, status changed: 2019-03-14 18:42:06
Settings
Chain sequence(s) A: GSHMTFVALYDYESRTETDLSFKKGERLQIVNNTEGDWWLAHSLTTGQTGYIPSNYVAPS
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA138N
Energy difference between WT (input) and mutated protein (by FoldX) -0.413085 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
-3.4971
Maximal score value
1.2498
Average score
-0.9626
Total score value
-57.7532

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 -0.4510
82 S A -0.6826
83 H A -0.7912
84 M A 0.2700
85 T A 0.0000
86 F A -0.5072
87 V A -1.0151
88 A A 0.0000
89 L A -0.6503
90 Y A -0.7771
91 D A -2.8699
92 Y A -2.1150
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 -1.3229
100 L A 0.0000
101 S A -1.9034
102 F A 0.0000
103 K A -3.4971
104 K A -2.8914
105 G A -1.9832
106 E A 0.0000
107 R A -2.0697
108 L A 0.0000
109 Q A -0.2475
110 I A 0.4388
111 V A 1.2498
112 N A -0.4200
113 N A -1.8142
114 T A -1.7328
115 E A -2.9363
116 G A -2.6085
117 D A -2.6844
118 W A -1.3424
119 W A -0.6978
120 L A 0.4047
121 A A 0.0000
122 H A -0.3840
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 -0.4950
130 G A 0.0000
131 Y A 0.2197
132 I A 0.0000
133 P A 0.0000
134 S A -1.4728
135 N A -1.4849
136 Y A -0.4795
137 V A 0.0000
138 N A -1.2373 mutated: AA138N
139 P A -0.7244
140 S A -0.4674

 

Laboratory of Theory of Biopolymers 2015