Project name: SH3_W120A

Status: done

submitted: 2019-03-14 19:14:56, status changed: 2019-03-14 21:48:29
Settings
Chain sequence(s) A: TLFVALYDYEARTEDDLSFHKGEEKFQQILNSSEGDWWEARRSLTTGETGYIPSNYVAPV
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA120A
Energy difference between WT (input) and mutated protein (by FoldX) 2.33089 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
-3.1028
Maximal score value
1.8562
Average score
-0.9457
Total score value
-53.9029

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 0.5733
86 L A 0.8966
87 F A 1.1069
88 V A 0.5168
89 A A 0.0000
90 L A -0.1305
91 Y A -0.5748
92 D A -2.5599
93 Y A -1.9315
94 E A -2.6452
95 A A -2.6259
96 R A -2.9852
97 T A -2.6608
98 E A -3.1028
99 D A -3.0434
100 D A 0.0000
101 L A 0.0000
102 S A -2.2059
103 F A 0.0000
104 H A -2.7282
105 K A -2.4059
106 G A -1.4373
107 E A -1.2814
108 K A -0.5790
109 F A 0.0000
110 Q A -0.4426
111 I A 0.0005
112 L A 0.1331
113 N A -0.9652
114 S A -1.3298
115 S A -1.6894
116 E A -2.6577
117 G A -2.2790
118 D A -2.5652
119 W A -1.2445
120 A A 0.0000 mutated: WA120A
121 E A -1.2471
122 A A 0.0000
123 R A -1.7134
124 S A 0.0000
125 L A 0.0772
126 T A -0.4730
127 T A -0.8207
128 G A -1.3572
129 E A -2.2401
130 T A -1.6830
131 G A -1.5194
132 Y A -0.9304
133 I A 0.0000
134 P A 0.0000
135 S A -1.0125
136 N A -1.1933
137 Y A -0.1207
138 V A 0.0000
139 A A 0.4671
140 P A 0.8513
141 V A 1.8562

 

Laboratory of Theory of Biopolymers 2015