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

Status: done

submitted: 2018-11-30 17:04:28, status changed: 2018-11-30 17:30:18
Settings
Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGFTDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTYSVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTWNFWKYLVAPDGKVVGAWDPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues FA25R, YA26K, YA43K, FA59K, YA64K, FA79K, FA84K, FA103K, YA108K, FA115K, FA129K, FA144K, WA145R, YA147K, WA159R
Energy difference between WT (input) and mutated protein (by FoldX) 54.7224 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
-2.1711
Maximal score value
1.5914
Average score
-0.4337
Total score value
-67.2285

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 mutated: FA25R
26 K A 0.0000 mutated: YA26K
27 D A -0.7659
28 F A -0.2579
29 K A -1.6763
30 A A 0.0000
31 V A 0.9314
32 N A -0.0901
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 -2.0398
43 K A -0.6328 mutated: YA43K
44 R A -0.7397
45 G A -0.4596
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 -0.3720
56 E A -1.8445
57 C A -0.3434
58 G A -0.5502
59 K A -0.6299 mutated: FA59K
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 mutated: YA64K
65 R A -1.8426
66 A A -0.3309
67 L A 0.0000
68 Q A 0.0000
69 Q A -1.3249
70 L A 0.0000
71 Q A -0.4699
72 R A -2.1711
73 D A -1.3720
74 L A 0.0000
75 G A -0.1727
76 P A -0.3878
77 H A -0.8422
78 H A -1.1017
79 K A 0.0000 mutated: FA79K
80 N A -0.1971
81 V A 0.0000
82 L A 0.0000
83 A A 0.0000
84 K A 0.0000 mutated: FA84K
85 P A 0.0000
86 C A 0.0000
87 N A -0.5606
88 Q A -0.7256
89 F A -0.0115
90 G A -0.6464
91 Q A -1.3698
92 Q A -0.7072
93 E A 0.0000
94 P A -0.4578
95 D A -1.5430
96 S A -0.5004
97 N A -0.9896
98 K A -2.1055
99 E A -1.8748
100 I A 0.0000
101 E A -0.1852
102 S A -0.2274
103 K A -0.8706 mutated: FA103K
104 A A 0.0000
105 R A -0.9086
106 R A -1.9506
107 T A -0.4451
108 K A -0.3964 mutated: YA108K
109 S A -0.3452
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 mutated: FA115K
116 S A -0.1459
117 K A -0.5331
118 I A 0.2003
119 A A 0.0681
120 V A 0.0000
121 T A -0.0973
122 G A -0.4816
123 T A -0.2430
124 G A -0.4794
125 A A 0.0000
126 H A -0.1557
127 P A -0.3476
128 A A 0.0000
129 K A 0.0000 mutated: FA129K
130 K A -1.0999
131 Y A -0.0617
132 L A 0.0000
133 A A -0.4039
134 Q A -1.2012
135 T A -0.2497
136 S A -0.1287
137 G A -0.7127
138 K A -1.6979
139 E A -1.8267
140 P A 0.0000
141 T A 0.1094
142 W A 0.9814
143 N A 0.0000
144 K A 0.0000 mutated: FA144K
145 R A -0.2730 mutated: WA145R
146 K A 0.0000
147 K A 0.0000 mutated: YA147K
148 L A 0.0000
149 V A 0.0000
150 A A -0.0097
151 P A -0.4595
152 D A -1.8051
153 G A 0.0000
154 K A -1.1769
155 V A 0.2855
156 V A 1.5914
157 G A 0.1205
158 A A -0.2298
159 R A -1.2203 mutated: WA159R
160 D A -0.7565
161 P A 0.0000
162 T A -0.0296
163 V A 0.1906
164 S A -0.0353
165 V A -0.1539
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9198
170 P A -0.5232
171 Q A -1.0667
172 I A 0.0000
173 T A -0.0312
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