Project name: kanti [mutate: WA145A, WA142A, WA159A, FA59A, YA108A] [mutate: VA31A, LA37A, VA38A, FA103A, AA119A, VA155A, VA156A, GA157A, AA174A, LA175A]

Status: done

submitted: 2018-11-29 14:49:54, status changed: 2018-11-29 14:56:00
Settings
Chain sequence(s) A: QDFYDFKAVNIRGKLVSLEKYRGSVSLVVNVASECGATDQHYRALQQLQRDLGPHHFNVLAFPCNQFGQQEPDSNKEIESFARRTASVSFPMFSKIAVTGTGAHPAFKYLAQTSGKEPTANFAKYLVAPDGKVVGAADPTVSVEEVRPQITALVR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues VA31A, LA37A, VA38A, FA103A, AA119A, VA155A, VA156A, GA157A, AA174A, LA175A
Energy difference between WT (input) and mutated protein (by FoldX) 10.736 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
-2.1671
Maximal score value
0.3085
Average score
-0.4598
Total score value
-71.2765

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 -0.7743
28 F A -0.2594
29 K A -1.6764
30 A A 0.0000
31 A A -0.0183 mutated: VA31A
32 N A -0.3016
33 I A 0.0000
34 R A -1.9287
35 G A -1.1184
36 K A -1.7763
37 A A -0.2469 mutated: LA37A
38 A A 0.0046 mutated: VA38A
39 S A -0.3192
40 L A 0.0000
41 E A -1.9766
42 K A -2.0047
43 Y A 0.0000
44 R A -0.7017
45 G A -0.4632
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 -0.4066
56 E A -1.8438
57 C A -0.3059
58 G A -0.4430
59 A A -0.0744
60 T A -0.3291
61 D A -2.0113
62 Q A -1.5270
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 -0.4719
72 R A -2.1671
73 D A -1.3089
74 L A 0.0000
75 G A -0.1747
76 P A -0.3858
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 -0.5015
88 Q A -0.6009
89 F A 0.0690
90 G A -0.6355
91 Q A -1.3649
92 Q A -0.7072
93 E A 0.0000
94 P A -0.4859
95 D A -1.5787
96 S A -0.5060
97 N A -0.9829
98 K A -2.1148
99 E A -1.9330
100 I A 0.0000
101 E A 0.0000
102 S A -0.0381
103 A A 0.0146 mutated: FA103A
104 A A 0.0000
105 R A -0.8945
106 R A -1.9539
107 T A -0.4130
108 A A 0.0000
109 S A -0.2798
110 V A 0.0000
111 S A -0.2129
112 F A 0.0000
113 P A -0.0450
114 M A 0.0000
115 F A 0.0000
116 S A -0.1457
117 K A -0.5058
118 I A 0.2131
119 A A 0.0695 mutated: AA119A
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 -0.1560
127 P A -0.3413
128 A A 0.0000
129 F A 0.0000
130 K A -1.0878
131 Y A -0.0588
132 L A 0.0000
133 A A -0.4338
134 Q A -1.2014
135 T A -0.2492
136 S A -0.1261
137 G A -0.7819
138 K A -2.1256
139 E A -2.1373
140 P A 0.0000
141 T A -0.0679
142 A A 0.0035
143 N A 0.0000
144 F A 0.0000
145 A 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 -0.4384
152 D A -1.8013
153 G A 0.0000
154 K A -1.2811
155 A A -0.2187 mutated: VA155A
156 A A 0.0632 mutated: VA156A
157 A A 0.0298 mutated: GA157A
158 A A 0.0281
159 A A -0.1925
160 D A -1.1134
161 P A -0.2549
162 T A -0.0152
163 V A 0.3085
164 S A -0.0127
165 V A -0.1537
166 E A -2.1161
167 E A -2.1498
168 V A 0.0000
169 R A -0.9297
170 P A -0.4997
171 Q A -0.6530
172 I A 0.0000
173 T A -0.0372
174 A A 0.0556 mutated: AA174A
175 A A 0.0590 mutated: LA175A
176 V A -0.1324
177 R A -1.8054

 

Laboratory of Theory of Biopolymers 2015