Project name: Limonene-1,2-epoxide hydrolase

Status: done

submitted: 2018-02-19 16:18:41, status changed: 2018-02-19 16:25:45
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Chain sequence(s) A: IEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPPAYGRDAVEQTLAGLFTVMMSIDAVETFHIGSSNGLLVYTERVDVLLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG
B: KIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPPAYGRDAVEQTLAGLLFTVMMSIDAVETFHIGSSNGLVYTERVDVLLRALPTGKSYNLSILGVFQLTEGKITGWRDYFDLREFEEAVDLPLRG
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.4162
Maximal score value
0.7239
Average score
-0.8783
Total score value
-255.5833

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
5 I A -0.1242
6 E A -1.9762
7 Q A -2.0884
8 P A -1.6551
9 R A -2.2964
10 W A -1.1005
11 A A 0.0000
12 S A -2.0855
13 K A -2.9508
14 D A -2.8863
15 S A -1.5371
16 A A -1.1506
17 A A -1.4308
18 G A -0.8873
19 A A -0.4748
20 A A -0.8450
21 S A -0.8016
22 T A -0.7831
23 P A -1.0545
24 D A -1.7419
25 E A 0.0000
26 K A -2.0207
27 I A -1.4604
28 V A 0.0000
29 L A -1.6610
30 E A -2.5871
31 F A 0.0000
32 M A 0.0000
33 D A -2.4425
34 A A 0.0000
35 L A 0.0000
36 T A -1.0483
37 S A -1.2684
38 N A -1.1895
39 D A -1.6254
40 A A -1.5793
41 A A -1.5428
42 K A -2.0959
43 L A 0.0000
44 I A 0.0000
45 E A -2.5049
46 Y A -1.3590
47 F A 0.0000
48 A A -2.4051
49 E A -3.4162
50 D A -2.9991
51 T A 0.0000
52 M A 0.0000
53 Y A 0.0000
54 Q A -0.1463
55 N A -0.1761
56 M A 0.0199
57 P A 0.0000
58 L A -0.1463
59 P A -0.2453
60 P A -0.1031
61 A A -0.4632
62 Y A -0.6951
63 G A -1.8099
64 R A -2.8847
65 D A -3.0114
66 A A -1.5552
67 V A 0.0000
68 E A -2.5414
69 Q A -2.1326
70 T A -1.1840
71 L A 0.0000
72 A A -0.8205
73 G A -0.4462
74 L A -0.0889
75 F A 0.1210
76 T A 0.2915
77 V A 0.6352
78 M A 0.0000
79 S A 0.0000
80 I A 0.0000
81 D A -1.2750
82 A A -0.8522
83 V A -0.7939
84 E A -1.4297
85 T A -0.7719
86 F A 0.0000
87 H A 0.0000
88 I A 0.0000
89 G A 0.0000
90 S A -0.4817
91 S A -0.4020
92 N A -0.9593
93 G A -1.1383
94 L A 0.0000
95 V A 0.0000
96 Y A 0.0000
97 T A 0.0000
98 E A 0.0000
99 R A 0.0000
100 V A 0.0000
101 D A 0.0000
102 V A -0.6268
103 L A 0.0000
104 R A -1.4191
105 A A 0.0000
106 L A 0.2768
107 P A -0.4185
108 T A -1.0493
109 G A -1.4266
110 K A -2.1703
111 S A -1.6410
112 Y A -1.2219
113 N A -1.1936
114 L A 0.0000
115 S A -0.4417
116 I A 0.0000
117 L A 0.0000
118 G A 0.0000
119 V A 0.0000
120 F A 0.0000
121 Q A -0.4561
122 L A -0.9695
123 T A -1.4242
124 E A -2.3181
125 G A -1.7644
126 K A -2.2760
127 I A 0.0000
128 T A -1.2566
129 G A 0.0000
130 W A 0.0000
131 R A 0.0000
132 D A 0.0000
133 Y A 0.0000
134 F A 0.0000
135 D A 0.0000
136 L A 0.0000
137 R A -1.4500
138 E A -1.6127
139 F A 0.0000
140 E A 0.0000
141 E A -2.7111
142 A A -2.0264
143 V A 0.0000
144 D A -2.6741
145 L A -1.4025
146 P A -1.2363
147 L A -0.8989
148 R A -1.1963
149 G A -0.9427
4 K B -2.2263
5 I B -1.9670
6 E B -3.1210
7 Q B -2.7368
8 P B -1.8899
9 R B -2.2474
10 W B -1.1324
11 A B -1.3106
12 S B -1.5414
13 K B -2.2696
14 D B -1.9345
15 S B -1.1713
16 A B -0.8358
17 A B 0.0000
18 G B -0.9230
19 A B -0.5147
20 A B -0.9816
21 S B -0.7947
22 T B -0.8879
23 P B -1.2252
24 D B -2.1159
25 E B 0.0000
26 K B -2.1798
27 I B -1.5871
28 V B 0.0000
29 L B -1.6724
30 E B -2.6079
31 F B 0.0000
32 M B 0.0000
33 D B -2.4462
34 A B 0.0000
35 L B 0.0000
36 T B -1.0109
37 S B -1.2476
38 N B -1.2053
39 D B -1.6833
40 A B -1.6132
41 A B -1.5654
42 K B -2.1588
43 L B 0.0000
44 I B 0.0000
45 E B -2.5241
46 Y B -1.5011
47 F B 0.0000
48 A B -2.4119
49 E B -3.4004
50 D B -3.0266
51 T B 0.0000
52 M B 0.0000
53 Y B 0.0000
54 Q B -0.1467
55 N B -0.1419
56 M B 0.0332
57 P B 0.0000
58 L B -0.1824
59 P B -0.2725
60 P B -0.1289
61 A B 0.0000
62 Y B -0.6889
63 G B -1.7991
64 R B -2.8944
65 D B -3.0288
66 A B -1.5694
67 V B 0.0000
68 E B -2.5793
69 Q B -2.1639
70 T B -1.2096
71 L B 0.0000
72 A B -0.8474
73 G B -0.4871
74 L B -0.1203
75 F B 0.1220
76 T B 0.2170
77 V B 0.7239
78 M B 0.0000
79 S B -0.3922
80 I B 0.0000
81 D B -0.9921
82 A B -1.1113
83 V B -0.8255
84 E B -1.6736
85 T B -0.6779
86 F B -0.4082
87 H B 0.0000
88 I B 0.0000
89 G B 0.0000
90 S B -0.6809
91 S B -0.8585
92 N B -1.8330
93 G B -1.3649
94 L B 0.0000
95 V B 0.0000
96 Y B 0.0000
97 T B 0.0000
98 E B 0.0000
99 R B 0.0000
100 V B -0.5966
101 D B 0.0000
102 V B 0.0000
103 L B 0.0000
104 R B -1.2056
105 A B 0.0000
106 L B 0.5844
107 P B -0.2797
108 T B -0.9418
109 G B -1.3154
110 K B -2.0419
111 S B -1.4185
112 Y B -0.9821
113 N B -1.0431
114 L B 0.0000
115 S B -0.2268
116 I B 0.0000
117 L B 0.0000
118 G B 0.0000
119 V B 0.0000
120 F B 0.0000
121 Q B -0.9863
122 L B -1.1998
123 T B -1.5502
124 E B -2.3157
125 G B -1.8809
126 K B -2.3774
127 I B 0.0000
128 T B -1.3439
129 G B 0.0000
130 W B 0.0000
131 R B 0.0000
132 D B 0.0000
133 Y B 0.0000
134 F B 0.0000
135 D B 0.0000
136 L B 0.0000
137 R B -1.4392
138 E B -1.5573
139 F B 0.0000
140 E B 0.0000
141 E B -2.6956
142 A B -1.9303
143 V B 0.0000
144 D B -2.6731
145 L B -1.3702
146 P B -1.2914
147 L B -0.9427
148 R B -1.3743
149 G B -1.0261

 

Laboratory of Theory of Biopolymers 2015