Project name: SH3_T97A

Status: done

submitted: 2019-03-14 19:01:22, status changed: 2019-03-14 20:02:11
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues TA97A
Energy difference between WT (input) and mutated protein (by FoldX) 1.91903 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
-3.0444
Maximal score value
1.7964
Average score
-0.9545
Total score value
-54.405

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 0.9238
88 V A 0.4313
89 A A 0.0000
90 L A -0.1511
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6309
95 A A -2.5913
96 R A -2.9271
97 A A -2.5407 mutated: TA97A
98 E A -3.0444
99 D A -3.0048
100 D A 0.0000
101 L A 0.0000
102 S A -2.1923
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4581
107 E A -1.3078
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0571
112 L A 0.1427
113 N A -0.8889
114 S A -1.1807
115 S A -1.5969
116 E A -2.5608
117 G A -2.1354
118 D A -2.4471
119 W A -1.1084
120 W A -1.0589
121 E A -1.1551
122 A A 0.0000
123 R A -1.7158
124 S A 0.0000
125 L A 0.0592
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6932
131 G A -1.5009
132 Y A -0.8711
133 I A 0.0000
134 P A 0.0000
135 S A -0.9225
136 N A -1.1512
137 Y A -0.1249
138 V A 0.0000
139 A A 0.4158
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015