Project name: kanti [mutate: VA31R, LA37A, VA38R, LA175R, AA174R]

Status: done

submitted: 2018-12-01 09:23:49, status changed: 2018-12-01 09:31:57
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Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VA31R, LA37A, VA38R, LA175R, AA174R
Energy difference between WT (input) and mutated protein (by FoldX) 2.98528 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
-2.1681
Maximal score value
0.8429
Average score
-0.4665
Total score value
-72.3058

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 -0.2576
29 K A -1.6750
30 A A 0.0000
31 R A -1.8783 mutated: VA31R
32 N A -0.5781
33 I A 0.0000
34 R A -1.8790
35 G A -0.8444
36 K A -1.7252
37 A A -0.8669 mutated: LA37A
38 R A -1.6917 mutated: VA38R
39 S A -0.6256
40 L A 0.0000
41 E A -1.9766
42 K A -2.0047
43 Y A 0.0000
44 R A -0.6715
45 G A -0.2949
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 -1.8522
57 C A 0.0000
58 G A -0.3536
59 F A 0.5428
60 T A 0.0000
61 D A -1.2609
62 Q A -1.3895
63 H A 0.0000
64 Y A 0.0000
65 R A -1.8426
66 A A -0.3306
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 -2.1681
73 D A -1.3140
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 -1.3600
92 Q A -0.6543
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 -0.8945
106 R A -1.9536
107 T A -0.3876
108 Y A 0.0783
109 S A -0.2563
110 V A 0.0000
111 S A -0.2129
112 F A 0.0000
113 P A -0.0452
114 M A 0.0000
115 F A 0.0000
116 S A -0.1412
117 K A -0.5166
118 I A 0.2094
119 A A 0.0692
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 -0.1575
127 P A -0.3568
128 A A 0.0000
129 F A 0.0000
130 K A -1.0953
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 0.0095
142 W A 0.4305
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 -0.0018
151 P A -0.3944
152 D A -1.7979
153 G A 0.0000
154 K A -1.1766
155 V A 0.1443
156 V A 0.8429
157 G A 0.0739
158 A A 0.0261
159 W A 0.0601
160 D A -0.5102
161 P A 0.0000
162 T A -0.0187
163 V A 0.2499
164 S A -0.0239
165 V A -0.1538
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9228
170 P A -0.3510
171 Q A -0.4404
172 I A 0.0000
173 T A -0.3611
174 R A -1.9871 mutated: AA174R
175 R A -1.0676 mutated: LA175R
176 V A -0.2503
177 R A -1.8004

 

Laboratory of Theory of Biopolymers 2015