Project name: kanti [mutate: MA114I] [mutate: VA31K, FA59K, VA163K, VA155K, VA156K]

Status: done

submitted: 2018-11-30 12:54:40, status changed: 2018-11-30 13:01:15
Settings
Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPIFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VA31K, FA59K, VA163K, VA155K, VA156K
Energy difference between WT (input) and mutated protein (by FoldX) 6.17147 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
-2.168
Maximal score value
1.0364
Average score
-0.4494
Total score value
-69.6499

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 -1.2371
24 D A -0.4311
25 F A 0.0000
26 Y A 0.0000
27 D A -0.7701
28 F A -0.2539
29 K A -1.6497
30 A A 0.0000
31 K A -1.2998 mutated: VA31K
32 N A -0.5208
33 I A 0.0000
34 R A -1.8777
35 G A -0.8375
36 K A -1.4506
37 L A 1.0364
38 V A 0.5254
39 S A -0.2674
40 L A 0.0000
41 E A -1.9766
42 K A -2.0047
43 Y A 0.0000
44 R A -0.7020
45 G A -0.4682
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 -1.8526
57 C A 0.0000
58 G A -0.6006
59 K A -0.8302 mutated: FA59K
60 T A 0.0000
61 D A -1.2555
62 Q A -1.3885
63 H A 0.0000
64 Y A 0.0000
65 R A -1.8426
66 A A -0.3307
67 L A 0.0000
68 Q A 0.0000
69 Q A -1.3916
70 L A 0.0000
71 Q A -0.4719
72 R A -2.1680
73 D A -1.3140
74 L A 0.0000
75 G A -0.1747
76 P A -0.3858
77 H A -0.8295
78 H A -1.0994
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 -0.5015
88 Q A -0.6133
89 F A 0.0019
90 G A -0.6476
91 Q A -1.3560
92 Q A -0.6580
93 E A 0.0000
94 P A -0.4880
95 D A -1.5791
96 S A -0.5003
97 N A -0.9528
98 K A -2.0944
99 E A -1.8506
100 I A 0.0000
101 E A 0.0000
102 S A 0.0379
103 F A 0.4740
104 A A 0.0000
105 R A -0.8917
106 R A -1.9531
107 T A -0.3876
108 Y A 0.0783
109 S A -0.2560
110 V A 0.0000
111 S A -0.2129
112 F A 0.0000
113 P A -0.0450
114 I A 0.0000
115 F A 0.0000
116 S A -0.1444
117 K A -0.5084
118 I A 0.2126
119 A A 0.0695
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 -0.1560
127 P A -0.3413
128 A A 0.0000
129 F A 0.0000
130 K A -1.0867
131 Y A -0.0528
132 L A 0.0000
133 A A -0.4057
134 Q A -1.2005
135 T A -0.2421
136 S A -0.1135
137 G A -0.6922
138 K A -1.6004
139 E A -1.8165
140 P A 0.0000
141 T A 0.0100
142 W A 0.4329
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 -0.4615
152 D A -1.8050
153 G A 0.0000
154 K A -1.1978
155 K A -0.9385 mutated: VA155K
156 K A -1.7897 mutated: VA156K
157 G A -0.3779
158 A A 0.0266
159 W A 0.0897
160 D A -0.3511
161 P A 0.0000
162 T A -0.2008
163 K A -0.7380 mutated: VA163K
164 S A -0.2037
165 V A -0.1537
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9238
170 P A -0.4455
171 Q A -0.6584
172 I A 0.0000
173 T A -0.0314
174 A A 0.1375
175 L A 0.5149
176 V A -0.0278
177 R A -1.8013

 

Laboratory of Theory of Biopolymers 2015