Project name: kanti [mutate: MA114I] [mutate: VA31K, FA59K, VA163K, VA155K, VA156K] [mutate: LA37T, LA175T, AA174I]

Status: done

submitted: 2018-11-30 13:18:09, status changed: 2018-11-30 13:25:16
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Chain sequence(s) A: QDFYDFKAKNIRGKLVSLEKYRGSVSLVVNVASECGKTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPIFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKKKGAWDPTKSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues LA37T, LA175T, AA174I
Energy difference between WT (input) and mutated protein (by FoldX) 3.85889 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
-2.1757
Maximal score value
2.0057
Average score
-0.4517
Total score value
-70.0189

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 -1.2377
24 D A -0.4344
25 F A 0.0000
26 Y A 0.0000
27 D A -0.7743
28 F A -0.2594
29 K A -1.6764
30 A A 0.0000
31 K A -1.5963
32 N A -0.5280
33 I A 0.0000
34 R A -1.8767
35 G A -0.8318
36 K A -1.7466
37 T A -0.5859 mutated: LA37T
38 V A 0.2339
39 S A -0.2722
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 -0.4685
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 -0.3680
56 E A -1.8528
57 C A 0.0000
58 G A -0.5992
59 K A -0.8225
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 -0.4727
72 R A -2.1757
73 D A -1.3558
74 L A 0.0000
75 G A -0.1759
76 P A -0.3860
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 -0.4951
88 Q A -0.6183
89 F A 0.0007
90 G A -0.6476
91 Q A -1.3553
92 Q A -0.6593
93 E A 0.0000
94 P A -0.4987
95 D A -1.6199
96 S A -0.5077
97 N A -0.9528
98 K A -2.0915
99 E A -1.8346
100 I A 0.0000
101 E A 0.0000
102 S A 0.0355
103 F A 0.4663
104 A A 0.0000
105 R A -0.9057
106 R A -1.9556
107 T A -0.3876
108 Y A 0.0783
109 S A -0.2577
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
115 F A 0.0000
116 S A -0.1452
117 K A -0.5114
118 I A 0.2121
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 -0.1555
127 P A -0.3394
128 A A 0.0000
129 F A 0.0000
130 K A -1.0979
131 Y A -0.0557
132 L A 0.0000
133 A A -0.4057
134 Q A -1.2004
135 T A -0.2415
136 S A -0.1134
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 -0.4638
152 D A -1.8054
153 G A 0.0000
154 K A -1.1990
155 K A -0.9450
156 K A -1.7909
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 -0.7378
164 S A -0.2025
165 V A -0.1535
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9064
170 P A -0.3639
171 Q A -0.4605
172 I A 0.0000
173 T A 0.3323
174 I A 2.0057 mutated: AA174I
175 T A 0.3933 mutated: LA175T
176 V A -0.1151
177 R A -1.8013

 

Laboratory of Theory of Biopolymers 2015