Project name: SH3_A95W

Status: done

submitted: 2019-03-14 19:00:35, status changed: 2019-03-14 19:55:50
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues AA95W
Energy difference between WT (input) and mutated protein (by FoldX) 4.87758 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
-2.9534
Maximal score value
1.7964
Average score
-0.9082
Total score value
-51.7664

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 0.9242
88 V A 0.4319
89 A A 0.0000
90 L A -0.1419
91 Y A -0.5542
92 D A -2.4392
93 Y A -1.7272
94 E A -2.2683
95 W A -1.8826 mutated: AA95W
96 R A -2.6151
97 T A -2.4301
98 E A -2.9534
99 D A -2.9131
100 D A 0.0000
101 L A 0.0000
102 S A -1.8828
103 F A 0.0000
104 H A -2.7043
105 K A -2.3893
106 G A -1.4511
107 E A -1.3016
108 K A -0.6426
109 F A 0.0000
110 Q A -0.5091
111 I A -0.0568
112 L A 0.1429
113 N A -0.8876
114 S A -1.1788
115 S A -1.5959
116 E A -2.5594
117 G A -2.1332
118 D A -2.4432
119 W A -1.0998
120 W A -1.0544
121 E A -1.1524
122 A A 0.0000
123 R A -1.7155
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 -2.2367
130 T A -1.6897
131 G A -1.4133
132 Y A -0.7681
133 I A 0.0000
134 P A 0.0000
135 S A -0.9186
136 N A -1.1483
137 Y A -0.1153
138 V A 0.0000
139 A A 0.4166
140 P A 0.7757
141 V A 1.7964

 

Laboratory of Theory of Biopolymers 2015