Project name: kanti [mutate: VA31K, LA37R, VA38K, FA59R, VA156K, VA155K, GA157R, VA163K, LA175R, AA174R]

Status: done

submitted: 2018-12-01 08:37:25, status changed: 2018-12-01 08:53:39
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Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VA31K, LA37R, VA38K, FA59R, VA156K, VA155K, GA157R, VA163K, LA175R, AA174R
Energy difference between WT (input) and mutated protein (by FoldX) 11.3377 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
-2.5363
Maximal score value
0.4792
Average score
-0.5331
Total score value
-82.6268

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 -0.2145
29 K A -1.4374
30 A A 0.0000
31 K A -1.6873 mutated: VA31K
32 N A -0.4712
33 I A 0.0000
34 R A -1.8765
35 G A -0.8308
36 K A -2.0718
37 R A -2.5363 mutated: LA37R
38 K A -1.2247 mutated: VA38K
39 S A -0.4464
40 L A 0.0000
41 E A -1.9766
42 K A -2.0047
43 Y A 0.0000
44 R A -0.7010
45 G A -0.4564
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 -1.8525
57 C A 0.0000
58 G A -0.6254
59 R A -0.9685 mutated: FA59R
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 -0.3307
67 L A 0.0000
68 Q A 0.0000
69 Q A -1.3916
70 L A 0.0000
71 Q A -0.4722
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 -0.5606
88 Q A -0.7267
89 F A -0.0178
90 G A -0.6476
91 Q A -1.3606
92 Q A -0.6568
93 E A 0.0000
94 P A -0.4952
95 D A -1.6349
96 S A -0.5097
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 -0.1414
117 K A -0.5138
118 I A 0.2099
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 -1.0950
131 Y A -0.0592
132 L A 0.0000
133 A A -0.4057
134 Q A -1.2013
135 T A -0.2475
136 S A -0.1202
137 G A -0.7776
138 K A -2.0648
139 E A -1.9035
140 P A 0.0000
141 T A -0.0042
142 W A 0.3547
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 -0.4192
152 D A -1.7976
153 G A 0.0000
154 K A -1.0891
155 K A -0.7670 mutated: VA155K
156 K A -1.8256 mutated: VA156K
157 R A -1.4355 mutated: GA157R
158 A A -0.1834
159 W A 0.0645
160 D A -0.2898
161 P A 0.0000
162 T A -0.2085
163 K A -0.7795 mutated: VA163K
164 S A -0.2107
165 V A -0.1536
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9134
170 P A -0.3365
171 Q A -0.2381
172 I A 0.0000
173 T A -0.3760
174 R A -2.1075 mutated: AA174R
175 R A -1.7207 mutated: LA175R
176 V A -0.3760
177 R A -1.8016

 

Laboratory of Theory of Biopolymers 2015