Project name: kanti [mutate: VA31K, LA37K, VA38K, FA59K, MA114I, IA118R, VA163K, AA174K, LA175R]

Status: done

submitted: 2018-11-30 14:44:07, status changed: 2018-11-30 14:54:29
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Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VA31K, LA37K, VA38K, FA59K, MA114I, IA118R, VA163K, AA174K, LA175R
Energy difference between WT (input) and mutated protein (by FoldX) 7.27028 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
-2.3791
Maximal score value
1.1307
Average score
-0.4982
Total score value
-77.2241

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
23 Q A -1.2400
24 D A -0.4469
25 F A 0.0000
26 Y A 0.0000
27 D A -0.7699
28 F A -0.2360
29 K A -1.5560
30 A A 0.0000
31 K A -1.5635 mutated: VA31K
32 N A -0.4572
33 I A 0.0000
34 R A -1.8765
35 G A -0.8308
36 K A -2.0454
37 K A -2.3791 mutated: LA37K
38 K A -1.2160 mutated: VA38K
39 S A -0.4643
40 L A 0.0000
41 E A -1.9766
42 K A -2.0047
43 Y A 0.0000
44 R A -0.6714
45 G A -0.2933
46 S A 0.0000
47 V A 0.0000
48 S A 0.0000
49 L A 0.0000
50 V A 0.0000
51 V A 0.0000
52 N A 0.0000
53 V A 0.0000
54 A A 0.0000
55 S A -0.3677
56 E A -1.8494
57 C A 0.0000
58 G A -0.5978
59 K A -0.8148 mutated: FA59K
60 T A 0.0000
61 D A -1.2502
62 Q A -1.3875
63 H A 0.0000
64 Y A 0.0000
65 R A -1.8426
66 A A -0.3305
67 L A 0.0000
68 Q A 0.0000
69 Q A -1.3916
70 L A 0.0000
71 Q A -0.4722
72 R A -2.1654
73 D A -1.2988
74 L A 0.0000
75 G A -0.1718
76 P A -0.3858
77 H A -0.8327
78 H A -1.1000
79 F A 0.0000
80 N A -0.2269
81 V A 0.0000
82 L A 0.0000
83 A A 0.0000
84 F A 0.0000
85 P A 0.0000
86 C A 0.0000
87 N A -0.5592
88 Q A -0.7265
89 F A -0.0178
90 G A -0.6476
91 Q A -1.3554
92 Q A -0.6289
93 E A 0.0000
94 P A -0.4926
95 D A -1.6265
96 S A -0.5081
97 N A -0.9494
98 K A -2.0880
99 E A -1.8188
100 I A 0.0000
101 E A 0.0000
102 S A 0.0399
103 F A 0.4792
104 A A 0.0000
105 R A -0.8973
106 R A -1.9541
107 T A -0.3876
108 Y A 0.0783
109 S A -0.2567
110 V A 0.0000
111 S A -0.2129
112 F A 0.0000
113 P A -0.0447
114 I A 0.0000 mutated: MA114I
115 F A 0.0000
116 S A -0.1036
117 K A -0.6489
118 R A -1.3465 mutated: IA118R
119 A A -0.2183
120 V A 0.0000
121 T A -0.0962
122 G A -0.4813
123 T A -0.2430
124 G A -0.4794
125 A A 0.0000
126 H A 0.0000
127 P A -0.3236
128 A A 0.0000
129 F A 0.0000
130 K A -1.0940
131 Y A -0.0606
132 L A 0.0000
133 A A -0.4057
134 Q A -1.2014
135 T A -0.2491
136 S A -0.1254
137 G A -0.7249
138 K A -1.7699
139 E A -1.8482
140 P A 0.0000
141 T A 0.0043
142 W A 0.4015
143 N A 0.0000
144 F A 0.0000
145 W A 0.0000
146 K A 0.0000
147 Y A 0.0000
148 L A 0.0000
149 V A 0.0000
150 A A 0.0000
151 P A -0.3908
152 D A -1.7971
153 G A 0.0000
154 K A -1.1766
155 V A 0.1978
156 V A 1.1307
157 G A 0.1260
158 A A 0.0254
159 W A 0.0944
160 D A -0.3054
161 P A 0.0000
162 T A -0.1968
163 K A -0.7163 mutated: VA163K
164 S A -0.1995
165 V A -0.1527
166 E A -2.1160
167 E A -2.1498
168 V A 0.0000
169 R A -0.9174
170 P A -0.3783
171 Q A -0.4786
172 I A 0.0000
173 T A -0.3486
174 K A -1.9029 mutated: AA174K
175 R A -1.3602 mutated: LA175R
176 V A -0.3088
177 R A -1.8004

 

Laboratory of Theory of Biopolymers 2015