Project name: kanti [mutate: FA25R, YA26K, YA43K, FA59K, YA64K, FA79K, FA84K, FA103K, YA108K, FA115K, FA129K, FA144K, WA145R, YA147K, WA159R] [mutate: WA142R]

Status: done

submitted: 2018-11-30 17:43:30, status changed: 2018-11-30 17:50:00
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Chain sequence(s) A: QDRKDFKAVNIRGKLVSLEKKRGSVSLVVNVASECGKTDQHKRALQQLQRDLGPHHKNVLAKPCNQFGQQEPDSNKEIESKARRTKSVSFPMKSKIAVTGTGAHPAKKYLAQTSGKEPTWNKRKKLVAPDGKVVGARDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues WA142R
Energy difference between WT (input) and mutated protein (by FoldX) -0.457291 kcal/mol

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
-2.1734
Maximal score value
1.5916
Average score
-0.4544
Total score value
-70.4308

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 -1.2398
24 D A -0.4458
25 R A 0.0000
26 K A 0.0000
27 D A -0.7699
28 F A -0.2576
29 K A -1.6762
30 A A 0.0000
31 V A 0.9312
32 N A -0.0913
33 I A 0.0000
34 R A -1.9287
35 G A -1.1184
36 K A -1.5030
37 L A 1.3946
38 V A 0.4927
39 S A -0.2793
40 L A 0.0000
41 E A -1.9593
42 K A -2.0404
43 K A -0.6362
44 R A -0.7400
45 G A -0.4579
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 -0.3724
56 E A -1.8443
57 C A -0.3409
58 G A -0.5894
59 K A -0.8499
60 T A 0.0000
61 D A -2.0095
62 Q A -1.5270
63 H A 0.0000
64 K A 0.0000
65 R A -1.8427
66 A A -0.3310
67 L A 0.0000
68 Q A 0.0000
69 Q A -1.3368
70 L A 0.0000
71 Q A -0.4706
72 R A -2.1734
73 D A -1.3774
74 L A 0.0000
75 G A -0.1733
76 P A -0.3879
77 H A -0.8422
78 H A -1.1017
79 K A 0.0000
80 N A -0.1961
81 V A 0.0000
82 L A 0.0000
83 A A 0.0000
84 K A 0.0000
85 P A 0.0000
86 C A 0.0000
87 N A -0.5015
88 Q A -0.6046
89 F A 0.0491
90 G A -0.6391
91 Q A -1.3652
92 Q A -0.7087
93 E A 0.0000
94 P A -0.4850
95 D A -1.6017
96 S A -0.5117
97 N A -0.9897
98 K A -2.0967
99 E A -1.8267
100 I A 0.0000
101 E A 0.0000
102 S A -0.1935
103 K A -0.8616
104 A A 0.0000
105 R A -0.9201
106 R A -1.9527
107 T A -0.4460
108 K A -0.4001
109 S A -0.3473
110 V A 0.0000
111 S A -0.2129
112 F A 0.0000
113 P A -0.0537
114 M A 0.0000
115 K A 0.0000
116 S A -0.1421
117 K A -0.5120
118 I A 0.2056
119 A A 0.0684
120 V A 0.0000
121 T A -0.0972
122 G A -0.4815
123 T A -0.2430
124 G A -0.4794
125 A A 0.0000
126 H A -0.1569
127 P A -0.3496
128 A A 0.0000
129 K A 0.0000
130 K A -1.0889
131 Y A -0.0596
132 L A 0.0000
133 A A -0.4029
134 Q A -1.2012
135 T A -0.2497
136 S A -0.1287
137 G A -0.7127
138 K A -1.6964
139 E A -1.8185
140 P A 0.0000
141 T A -0.4053
142 R A -1.8569 mutated: WA142R
143 N A 0.0000
144 K A 0.0000
145 R A -0.2748
146 K A 0.0000
147 K A 0.0000
148 L A 0.0000
149 V A 0.0000
150 A A -0.0097
151 P A -0.4592
152 D A -1.8051
153 G A 0.0000
154 K A -1.1703
155 V A 0.2879
156 V A 1.5916
157 G A 0.1205
158 A A -0.2340
159 R A -1.2450
160 D A -0.7666
161 P A 0.0000
162 T A -0.0283
163 V A 0.1974
164 S A -0.0358
165 V A -0.1543
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9202
170 P A -0.5269
171 Q A -1.0726
172 I A 0.0000
173 T A -0.0315
174 A A 0.1533
175 L A 0.6016
176 V A -0.0119
177 R A -1.8013

 

Laboratory of Theory of Biopolymers 2015