Secondary structure calculation program - copyright by David Keith Smith, 1989
2ayh-.pdb
2AYH HYDROLASE (GLUCANASE) 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROLASE (E.C.3.2. 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROLASE: HYBRID P
Sequence length - 214
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 1 GLN Q 0 0 999.9 106.3 -173.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 21
2 2 THR T + 0 0 -96.9 -142.2 -172.4 4.9 999.9 76.1 0 0.0 0 0.0 0 0.0 0 0.0 8 28
3 3 GLY G S S S- 0 0 -51.7 147.4 178.7 -123.8 72.3 91.1 69 -3.2 0 0.0 0 0.0 0 0.0 8 35
4 4 GLY G - 0 0 -86.5 166.4 178.7 -76.3 37.3 109.9 0 0.0 0 0.0 0 0.0 0 0.0 8 29
5 5 SER S + 0 0 -56.5 146.2 176.4 170.3 60.7 107.3 0 0.0 0 0.0 0 0.0 0 0.0 8 32
6 6 PHE F E E AA - 211 0 -157.2 160.6 176.9 -142.4 32.4 168.0 211 -2.0 211 -2.5 0 0.0 0 0.0 7 34
7 7 PHE F E E AA - 210 0 -127.3 125.5 -179.5 -167.4 15.9 174.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36
8 8 GLU E E E AA + 209 0 -118.4 108.3 -178.6 172.7 14.2 156.1 209 -3.1 209 -1.9 0 0.0 0 0.0 8 45
9 9 PRO P - 0 0 -93.2 -3.2 179.6 -125.4 44.9 55.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
10 10 PHE F + 0 0 62.1 38.8 179.8 133.1 67.8 31.4 0 0.0 0 0.0 0 0.0 0 0.0 11 40
11 11 ASN N S S S- 0 0 -91.1 -24.5 178.9 -1.6 72.3 45.4 0 0.0 0 0.0 0 0.0 0 0.0 10 26
12 12 SER S S S S- 0 0 -160.7 160.5 -178.1 -112.6 71.6 168.4 0 0.0 0 0.0 0 0.0 0 0.0 5 26
13 13 TYR Y + 0 0 -104.1 130.9 173.5 171.2 31.6 149.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
14 14 ASN N - 0 0 -132.8 154.0 -177.1 -99.0 37.2 164.5 0 0.0 0 0.0 0 0.0 0 0.0 5 22
15 15 SER S S S S+ 0 0 -69.0 156.5 172.6 39.6 96.8 109.3 0 0.0 0 0.0 0 0.0 0 0.0 5 16
16 16 GLY G S S S+ 0 0 82.7 27.6 -179.9 72.9 99.0 42.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
17 17 THR T S e S+ 0 0 -134.1 -48.4 -174.2 8.8 95.1 51.8 0 0.0 67 -1.8 0 0.0 0 0.0 8 36
18 18 TRP W E E AB - 66 0 -139.0 164.1 176.0 -159.5 50.2 162.7 0 0.0 0 0.0 0 0.0 0 0.0 9 45
19 19 GLU E E E AB - 65 0 -144.2 147.8 177.7 -130.7 17.0 172.7 65 -2.9 65 -2.3 0 0.0 0 0.0 8 36
20 20 LYS K E E AB - 64 0 -95.9 143.6 172.3 -124.9 22.2 139.4 0 0.0 0 0.0 0 0.0 0 0.0 11 42
21 21 ALA A e - 0 0 -77.2 140.6 179.9 -179.5 40.7 129.3 63 -2.4 0 0.0 0 0.0 0 0.0 12 40
22 22 ASP D - 0 0 -152.8 130.1 170.9 -2.7 41.0 158.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
23 23 GLY G S S S+ 0 0 89.2 -6.3 179.1 76.6 99.4 70.9 34 -2.8 0 0.0 0 0.0 0 0.0 8 27
24 24 TYR Y - 0 0 -130.1 172.1 178.5 -124.5 68.1 142.4 0 0.0 34 -2.4 0 0.0 0 0.0 7 27
25 25 SER S - 0 0 -116.6 151.3 174.0 -136.8 11.8 156.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31
26 26 ASN N - 0 0 -72.8 -20.3 -178.8 -160.6 46.7 44.9 0 0.0 0 0.0 0 0.0 0 0.0 6 35
27 27 GLY G t > T + 0 0 67.4 -171.9 177.1 71.7 53.1 99.3 0 0.0 30 -2.0 0 0.0 0 0.0 7 25
28 28 GLY G T T 3 TS- 0 0 73.2 -123.1 179.4 -6.8 123.1 118.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17
29 29 VAL V T T 3 TS+ 0 0 -81.7 -14.3 -177.9 96.3 114.9 51.0 0 0.0 187 -1.5 0 0.0 31 -0.7 8 30
30 30 PHE F B B A < T - 186 0 -81.4 112.3 -175.1 -172.7 53.8 137.3 27 -2.0 0 0.0 0 0.0 0 0.0 11 42
31 31 ASN N + 0 0 -105.2 52.7 -179.4 64.5 55.2 109.4 185 -2.5 0 0.0 29 -0.7 0 0.0 12 46
32 32 CYS C S S S- 0 0 -161.9 164.2 179.0 -115.7 75.6 163.4 0 0.0 0 0.0 0 0.0 0 0.0 13 50
33 33 THR T E E Ac - 60 0 -110.8 136.3 179.7 -116.7 34.1 160.4 59 -1.9 61 -2.1 0 0.0 0 0.0 13 42
34 34 TRP W E E Ac - 61 0 -70.0 139.2 176.2 -168.6 32.7 115.8 24 -2.4 23 -2.8 0 0.0 0 0.0 14 46
35 35 ARG R e > T - 0 0 -132.8 131.3 176.0 -146.8 25.7 172.1 61 -2.2 38 -1.8 0 0.0 0 0.0 13 40
36 36 ALA A G T > TS+ 0 0 -57.7 -33.8 -178.7 63.4 100.9 31.3 0 0.0 39 -2.0 0 0.0 0 0.0 10 36
37 37 ASN N G T 3 TS+ 0 0 -70.4 -7.2 177.2 64.6 93.0 54.7 0 0.0 0 0.0 0 0.0 0 0.0 5 35
38 38 ASN N G e < TS+ 0 0 -94.3 -1.9 173.9 76.3 87.4 63.3 35 -1.8 50 -2.2 0 0.0 40 -0.7 14 46
39 39 VAL V E E AD < T + 49 0 -108.4 112.0 -175.9 175.4 69.2 160.3 36 -2.0 0 0.0 0 0.0 0 0.0 14 48
40 40 ASN N E E AD - 48 0 -125.0 151.8 -179.1 -141.0 29.2 155.9 48 -2.5 48 -3.5 38 -0.7 0 0.0 8 45
41 41 PHE F E E AD - 47 0 -108.8 123.4 -179.4 -143.9 22.9 157.4 0 0.0 0 0.0 0 0.0 0 0.0 10 35
42 42 THR T e > T - 0 0 -85.6 157.0 -179.0 -120.6 19.4 118.6 46 -2.7 45 -1.4 0 0.0 0 0.0 8 25
43 43 ASN N T T 3 TS+ 0 0 -70.3 -19.6 176.2 58.4 113.0 39.8 0 0.0 0 0.0 0 0.0 0 0.0 6 18
44 44 ASP D T T 3 TS- 0 0 -91.6 15.1 173.7 -95.2 127.2 79.9 0 0.0 0 0.0 0 0.0 0 0.0 5 19
45 45 GLY G S t < TS+ 0 0 82.4 42.2 178.0 130.7 77.1 25.8 42 -1.4 0 0.0 0 0.0 0 0.0 11 29
46 46 LYS K e - 0 0 -124.6 151.7 174.4 -130.6 53.1 160.4 0 0.0 42 -2.7 0 0.0 48 -0.6 14 37
47 47 LEU L E E ADE - 41 206 -95.5 124.7 -178.5 -164.6 29.0 149.6 206 -2.8 206 -2.4 0 0.0 49 -0.5 12 56
48 48 LYS K E E ADE - 40 205 -119.1 115.0 -177.9 -166.0 5.8 159.9 40 -3.5 40 -2.5 46 -0.6 0 0.0 13 57
49 49 LEU L E E ADE - 39 204 -99.3 138.4 -179.5 -159.9 12.8 143.6 204 -2.9 204 -2.2 47 -0.5 0 0.0 15 60
50 50 GLY G E E A E - 0 203 -122.5 155.6 176.7 -155.7 20.2 153.8 38 -2.2 52 -0.5 0 0.0 0 0.0 13 54
51 51 LEU L E E A E + 0 202 -122.0 113.5 -174.8 160.1 36.6 171.2 202 -2.5 202 -1.9 0 0.0 0 0.0 16 59
52 52 THR T E E AF - 60 0 -133.3 174.5 179.3 -122.8 34.9 143.7 60 -2.6 60 -3.2 50 -0.5 0 0.0 11 47
53 53 SER S E E AF + 59 0 -133.6 132.0 -175.8 179.7 16.1 169.2 0 0.0 0 0.0 0 0.0 0 0.0 11 33
54 54 SER S E E A* S- 0 0 -87.0 -47.3 -179.0 -1.9 77.2 41.0 58 -0.7 0 0.0 0 0.0 0 0.0 7 26
55 55 ALA A E E AF > TS- 58 0 -150.3 165.0 -178.4 -50.6 103.3 162.5 58 -0.8 58 -2.6 0 0.0 0 0.0 6 17
56 56 TYR Y T T 3 TS- 0 0 -41.7 116.7 176.9 -10.2 121.7 95.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18
57 57 ASN N T T 3 TS+ 0 0 64.8 17.9 177.9 117.2 105.6 46.2 0 0.0 0 0.0 0 0.0 0 0.0 6 26
58 58 LYS K E E A F< T - 0 55 -118.6 123.0 -175.4 -163.3 47.8 168.8 55 -2.6 55 -0.8 0 0.0 54 -0.7 8 32
59 59 PHE F E E A F - 0 53 -120.0 144.4 179.7 -159.3 13.8 148.5 0 0.0 33 -1.9 0 0.0 0 0.0 12 47
60 60 ASP D E E AcF + 33 52 -116.1 133.1 -177.0 175.4 20.5 163.9 52 -3.2 52 -2.6 0 0.0 0 0.0 13 52
61 61 CYS C E E Ac - 34 0 -129.9 -172.1 -170.6 -117.9 18.2 119.8 33 -2.1 35 -2.2 0 0.0 0 0.0 17 61
62 62 ALA A E E A G + 0 183 -146.2 145.6 -177.7 175.5 20.1 174.5 183 -1.7 183 -1.9 0 0.0 0 0.0 18 59
63 63 GLU E E E A G - 0 182 -146.1 133.2 178.1 -171.8 5.6 172.4 0 0.0 21 -2.4 0 0.0 0 0.0 13 59
64 64 TYR Y E E ABG + 20 181 -124.3 138.0 -178.1 177.3 15.3 167.5 181 -2.7 181 -2.2 0 0.0 0 0.0 12 63
65 65 ARG R E E ABG - 19 180 -145.6 155.0 -177.9 -105.7 30.3 172.7 19 -2.3 19 -2.9 0 0.0 0 0.0 12 57
66 66 SER S E E AB - 18 0 -72.1 156.0 177.6 -145.7 16.5 108.9 179 -2.7 0 0.0 0 0.0 0 0.0 11 49
67 67 THR T S e S+ 0 0 -92.1 -27.4 -179.2 56.6 83.6 42.6 17 -1.8 0 0.0 0 0.0 0 0.0 9 34
68 68 ASN N S S S- 0 0 -92.7 178.7 177.6 -121.1 85.0 115.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
69 69 ILE I - 0 0 -122.0 157.3 -171.2 -158.3 21.8 147.2 0 0.0 3 -3.2 0 0.0 0 0.0 11 48
70 70 TYR Y B B B - 177 0 -139.2 148.3 -175.4 -166.4 4.7 163.0 177 -2.6 177 -2.0 0 0.0 0 0.0 11 50
71 71 GLY G - 0 0 -112.9 -142.0 -177.0 -7.7 50.2 89.9 0 0.0 0 0.0 0 0.0 0 0.0 13 48
72 72 TYR Y S e S+ 0 0 -58.1 148.4 178.5 80.9 87.4 99.8 0 0.0 214 -0.8 0 0.0 0 0.0 11 45
73 73 GLY G E E AHI S- 151 213 146.8 -169.5 -176.1 -46.8 81.5 160.4 151 -2.3 151 -2.8 0 0.0 75 -0.5 11 45
74 74 LEU L E E AHI - 150 212 -106.3 126.1 177.7 -164.5 41.7 150.9 212 -2.2 212 -2.8 0 0.0 0 0.0 12 53
75 75 TYR Y E E AHI + 149 211 -108.0 119.9 179.8 179.5 12.2 161.4 149 -3.0 149 -2.3 73 -0.5 0 0.0 12 60
76 76 GLU E E E AHI + 148 210 -126.1 145.7 -179.7 178.1 5.3 162.0 210 -3.0 210 -2.9 0 0.0 0 0.0 11 53
77 77 VAL V E E AHI - 147 209 -143.3 138.4 176.2 -150.4 21.0 175.6 147 -2.5 147 -2.6 0 0.0 79 -0.6 13 60
78 78 SER S E E AHI + 146 208 -106.9 115.5 -174.1 150.4 43.4 165.3 208 -2.2 207 -2.5 0 0.0 208 -1.0 12 51
79 79 MET M E E AHI - 145 206 -147.2 169.5 -177.4 -147.3 44.6 161.6 145 -1.9 145 -1.4 77 -0.6 0 0.0 14 63
80 80 LYS K E E A I - 0 205 -141.1 102.1 -178.4 -147.7 28.0 158.8 205 -2.4 205 -2.5 0 0.0 0 0.0 13 54
81 81 PRO P - 0 0 -72.3 164.4 175.7 -103.9 20.1 108.6 0 0.0 0 0.0 0 0.0 0 0.0 14 61
82 82 ALA A - 0 0 -81.7 153.6 179.6 -139.0 28.5 118.6 0 0.0 84 -0.5 0 0.0 0 0.0 12 55
83 83 LYS K + 0 0 -121.1 122.9 178.9 105.9 49.4 163.8 0 0.0 0 0.0 0 0.0 0 0.0 12 49
84 84 ASN N t > T - 0 0 176.9 145.7 175.7 -89.5 68.3 141.3 112 -0.8 87 -1.1 82 -0.5 0 0.0 10 45
85 85 THR T T T 3 TS+ 0 0 -62.9 147.6 170.8 25.1 104.3 104.6 0 0.0 0 0.0 0 0.0 0 0.0 13 42
86 86 GLY G T e 3 TS+ 0 0 84.2 8.0 -177.6 93.9 99.9 60.1 193 -2.3 186 -2.2 0 0.0 0 0.0 15 46
87 87 ILE I E E AJ < T - 185 0 -128.6 173.2 175.1 -146.8 52.7 144.4 84 -1.1 112 -2.4 0 0.0 0 0.0 16 62
88 88 VAL V E E AJK - 184 111 -137.0 140.8 170.5 -166.6 2.9 172.4 184 -2.3 184 -2.0 0 0.0 0 0.0 14 72
89 89 SER S E E AJK + 183 110 -117.9 137.3 -174.0 179.3 30.2 171.8 110 -1.7 110 -3.0 0 0.0 0 0.0 15 73
90 90 SER S E E AJK - 182 109 -143.4 167.6 171.1 -163.9 39.1 149.0 182 -2.4 182 -0.7 0 0.0 0 0.0 13 75
91 91 PHE F E E AJK + 181 108 -140.7 122.3 -177.1 141.6 41.1 162.7 108 -2.2 108 -2.0 0 0.0 0 0.0 12 69
92 92 PHE F E E AJK - 180 107 -157.6 166.4 173.9 -119.0 46.7 170.8 180 -2.7 180 -3.3 0 0.0 0 0.0 12 68
93 93 THR T E E AJK - 179 106 -108.2 148.3 -176.7 -176.9 38.3 149.0 106 -2.0 106 -1.0 0 0.0 0 0.0 12 67
94 94 TYR Y E E AJK + 178 105 -155.1 138.4 171.3 159.8 23.0 167.6 178 -2.2 178 -3.3 0 0.0 0 0.0 13 56
95 95 THR T E E A K + 0 104 -147.6 149.9 -175.8 144.0 22.2 161.0 104 -1.5 104 -1.1 0 0.0 0 0.0 15 43
96 96 GLY G g >>T - 0 0 -167.9 -174.4 -177.3 -54.4 63.0 158.4 0 0.0 99 -1.5 0 0.0 101 -1.3 10 33
97 97 PRO P G G >5TS+ 0 0 -51.3 -37.8 174.3 64.6 123.2 32.5 0 0.0 100 -2.0 0 0.0 0 0.0 8 21
98 98 ALA A G G 35TS+ 0 0 -54.4 -35.4 179.3 43.2 108.4 25.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
99 99 HIS H G G <5TS- 0 0 -90.5 4.0 179.1 -106.0 124.2 65.9 96 -1.5 0 0.0 0 0.0 0 0.0 6 26
100 100 GLY G T g <5TS+ 0 0 78.1 33.2 -178.6 94.2 86.6 32.6 97 -2.0 0 0.0 0 0.0 0 0.0 6 17
101 101 THR T S t T - 88 0 -78.2 116.5 -174.5 -145.3 10.1 138.9 109 -0.7 114 -2.1 0 0.0 0 0.0 16 56
112 112 GLY G T e 3 TS+ 0 0 -61.8 -18.0 179.8 74.9 91.2 47.7 87 -2.4 84 -0.8 110 -0.7 0 0.0 15 57
113 113 LYS K T T 3 TS+ 0 0 -66.8 -21.3 178.8 15.3 115.8 41.4 0 0.0 0 0.0 0 0.0 0 0.0 11 43
114 114 ASP D t X T + 0 0 -155.9 97.3 -179.6 179.0 62.7 131.5 111 -2.1 117 -1.1 0 0.0 0 0.0 10 38
115 115 THR T T T 3 TS+ 0 0 -84.9 14.0 174.3 78.7 73.7 73.6 0 0.0 140 -2.6 0 0.0 0 0.0 14 47
116 116 THR T T e 3 TS+ 0 0 -97.2 8.5 176.3 53.2 97.0 70.5 0 0.0 136 -2.9 0 0.0 137 -0.7 10 38
117 117 LYS K E E A M< T - 0 135 -130.0 164.2 174.9 -154.3 69.2 152.0 114 -1.1 0 0.0 0 0.0 0 0.0 14 46
118 118 VAL V E E A M - 0 134 -136.2 151.2 177.9 -139.1 11.5 164.6 134 -1.8 134 -2.7 0 0.0 0 0.0 13 59
119 119 GLN Q E E ALM - 109 133 -112.2 128.8 176.0 -166.8 13.7 163.4 109 -2.6 109 -2.8 0 0.0 0 0.0 13 51
120 120 PHE F E E ALM + 108 132 -109.4 145.7 177.7 151.8 21.1 148.8 132 -2.8 132 -2.1 0 0.0 0 0.0 14 54
121 121 ASN N E E AL - 107 0 -160.7 170.9 174.6 -162.1 21.3 168.4 107 -1.4 107 -2.9 0 0.0 0 0.0 12 53
122 122 TYR Y E E AL - 106 0 -160.1 155.2 177.5 -148.0 8.5 167.4 0 0.0 0 0.0 0 0.0 0 0.0 13 55
123 123 TYR Y E E AL - 105 0 -129.4 133.3 179.0 -170.4 8.5 169.6 105 -2.6 105 -2.3 0 0.0 0 0.0 14 42
124 124 THR T B B C > TS- 127 0 -127.2 115.1 -177.8 -19.1 79.6 176.2 127 -1.7 127 -2.9 0 0.0 0 0.0 14 41
125 125 ASN N T T 3 TS- 0 0 51.4 40.9 176.8 -51.3 131.1 29.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
126 126 GLY G T T 3 TS+ 0 0 80.0 1.9 178.4 128.0 108.7 64.7 103 -2.9 128 -0.7 0 0.0 0 0.0 8 31
127 127 VAL V B B C < T + 124 0 -96.5 119.1 -179.8 157.9 27.0 146.2 124 -2.9 124 -1.7 0 0.0 0 0.0 6 28
128 128 GLY G + 0 0 -106.2 -140.1 178.8 116.9 25.1 75.5 126 -0.7 0 0.0 0 0.0 0 0.0 9 31
129 129 GLY G + 0 0 80.6 23.2 -179.0 114.8 47.9 47.9 0 0.0 0 0.0 0 0.0 0 0.0 7 26
130 130 HIS H + 0 0 -108.3 23.7 -175.6 152.5 36.2 83.6 0 0.0 0 0.0 0 0.0 0 0.0 8 34
131 131 GLU E - 0 0 -60.4 136.0 179.2 -178.6 18.5 108.9 0 0.0 0 0.0 0 0.0 0 0.0 9 39
132 132 LYS K E E AM - 120 0 -137.0 119.9 -179.7 -156.5 11.9 174.0 120 -2.1 120 -2.8 0 0.0 134 -0.5 7 35
133 133 VAL V E E AM - 119 0 -101.5 123.2 -178.0 -168.6 12.7 152.8 0 0.0 0 0.0 0 0.0 0 0.0 8 37
134 134 ILE I E E AM - 118 0 -113.4 143.4 178.2 -126.2 21.8 153.6 118 -2.7 118 -1.8 132 -0.5 0 0.0 9 37
135 135 SER S E E AM - 117 0 -83.8 132.3 -176.6 -159.8 17.9 141.4 0 0.0 0 0.0 0 0.0 0 0.0 7 32
136 136 LEU L e - 0 0 -85.6 -26.3 -176.6 -130.4 24.1 42.9 116 -2.9 0 0.0 0 0.0 0 0.0 10 40
137 137 GLY G S S S+ 0 0 83.3 7.1 174.9 55.3 85.7 58.5 116 -0.7 0 0.0 0 0.0 0 0.0 6 27
138 138 PHE F S S S- 0 0 -155.9 167.6 178.2 -97.7 95.2 160.6 0 0.0 140 -0.8 0 0.0 0 0.0 5 27
139 139 ASP D g > T - 0 0 -93.3 106.2 -174.8 -158.4 30.4 147.3 0 0.0 142 -1.8 0 0.0 0 0.0 9 34
140 140 ALA A G G > TS+ 0 0 -59.8 -22.0 -177.4 69.4 84.4 42.0 115 -2.6 143 -0.9 138 -0.8 0 0.0 13 46
141 141 SER S G G 3 TS+ 0 0 -71.8 -13.1 -175.4 70.5 86.1 51.8 0 0.0 0 0.0 0 0.0 0 0.0 10 44
142 142 LYS K G G < TS- 0 0 -80.9 -14.2 -176.4 -22.4 111.1 49.5 139 -1.8 0 0.0 0 0.0 0 0.0 6 31
143 143 GLY G S g < TS- 0 0 -176.6 176.0 179.0 -60.0 81.9 168.1 140 -0.9 0 0.0 0 0.0 0 0.0 7 31
144 144 PHE F + 0 0 -83.5 139.8 176.3 168.2 47.1 128.0 0 0.0 0 0.0 0 0.0 0 0.0 10 42
145 145 HIS H E E AH - 79 0 -136.4 161.8 179.1 -108.4 36.3 151.1 79 -1.4 79 -1.9 0 0.0 0 0.0 10 46
146 146 THR T E E AH - 78 0 -102.2 126.0 179.0 -177.5 32.6 149.7 0 0.0 161 -3.7 0 0.0 0 0.0 11 47
147 147 TYR Y E E AHN + 77 160 -117.7 145.1 -177.0 167.0 12.2 157.0 77 -2.6 77 -2.5 0 0.0 0 0.0 13 63
148 148 ALA A E E AHN - 76 159 -155.2 160.6 170.7 -154.6 25.6 175.0 159 -2.2 159 -2.6 0 0.0 0 0.0 12 59
149 149 PHE F E E AHN - 75 158 -139.7 140.0 172.6 -147.7 12.3 173.3 75 -2.3 75 -3.0 0 0.0 151 -0.6 11 61
150 150 ASP D E E AHN - 74 157 -101.8 115.5 -177.1 -163.1 19.2 158.6 157 -3.0 157 -2.4 0 0.0 152 -0.6 11 53
151 151 TRP W E E AHN + 73 156 -109.4 109.8 -179.4 156.5 20.9 157.4 73 -2.8 73 -2.3 149 -0.6 0 0.0 12 55
152 152 GLN Q E E A N> T - 0 155 -125.4 166.2 -179.7 -96.9 55.3 146.8 155 -2.6 155 -0.9 150 -0.6 0 0.0 8 39
153 153 PRO P T T 3 TS+ 0 0 -55.5 -39.3 -178.2 34.5 121.1 26.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
154 154 GLY G T T 3 TS+ 0 0 -101.3 4.6 -179.5 7.2 124.5 62.0 0 0.0 0 0.0 0 0.0 0 0.0 7 26
155 155 TYR Y E E AN < T - 152 0 -166.6 163.8 167.9 -135.4 50.3 169.9 152 -0.9 152 -2.6 0 0.0 0 0.0 11 38
156 156 ILE I E E ANO - 151 168 -122.4 128.4 176.1 -168.4 23.7 176.4 168 -1.7 168 -2.8 0 0.0 0 0.0 12 50
157 157 LYS K E E ANO - 150 167 -116.9 123.6 177.4 -159.3 4.7 170.3 150 -2.4 150 -3.0 0 0.0 0 0.0 12 43
158 158 TRP W E E ANO - 149 166 -102.1 143.1 -178.0 -167.8 8.5 150.6 166 -2.5 165 -2.9 0 0.0 166 -1.3 13 54
159 159 TYR Y E E ANO - 148 164 -130.2 148.5 177.9 -157.3 14.7 155.7 148 -2.6 148 -2.2 0 0.0 0 0.0 12 46
160 160 VAL V E E ANO> TS- 147 163 -123.7 119.0 -178.2 -17.3 86.9 175.6 163 -2.1 163 -2.3 0 0.0 0 0.0 12 48
161 161 ASP D T e 3 TS- 0 0 50.4 38.9 174.3 -52.0 131.1 26.7 146 -3.7 0 0.0 0 0.0 0 0.0 7 37
162 162 GLY G T T 3 TS+ 0 0 85.2 -4.6 -179.5 119.5 112.3 66.2 0 0.0 0 0.0 0 0.0 0 0.0 8 26
163 163 VAL V E E AO < T - 160 0 -100.1 129.3 178.0 -118.0 68.5 146.8 160 -2.3 160 -2.1 0 0.0 0 0.0 6 26
164 164 LEU L E E AO + 159 0 -62.7 127.1 -177.5 164.1 41.1 114.6 0 0.0 0 0.0 0 0.0 0 0.0 9 32
165 165 LYS K E E A* + 0 0 -119.4 -24.7 -179.3 10.4 56.6 53.8 158 -2.9 0 0.0 0 0.0 0 0.0 9 33
166 166 HIS H E E AO - 158 0 -157.2 147.9 179.9 -163.5 51.4 167.8 158 -1.3 158 -2.5 0 0.0 0 0.0 7 39
167 167 THR T E E AO - 157 0 -137.4 130.6 177.8 -158.3 6.8 175.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
168 168 ALA A E E AO - 156 0 -108.0 140.7 -170.8 -180.0 10.6 154.2 156 -2.8 156 -1.7 0 0.0 0 0.0 8 40
169 169 THR T + 0 0 -127.9 8.9 -177.9 58.7 49.8 73.1 0 0.0 0 0.0 0 0.0 0 0.0 8 30
170 170 ALA A S S S+ 0 0 -144.8 149.4 175.0 6.2 98.7 176.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
171 171 A ASN N S S S- 0 0 51.9 49.5 -176.6 -170.7 75.7 26.3 0 0.0 0 0.0 0 0.0 0 0.0 5 31
172 172 ILE I - 0 0 -74.4 140.3 177.5 -101.2 27.5 118.0 0 0.0 0 0.0 0 0.0 0 0.0 11 45
173 173 PRO P - 0 0 -58.0 150.1 -177.0 -176.1 34.6 97.5 0 0.0 0 0.0 0 0.0 0 0.0 12 48
174 174 SER S + 0 0 -129.3 -0.7 -175.7 95.2 48.1 61.0 0 0.0 0 0.0 0 0.0 0 0.0 8 40
175 175 THR T S S S- 0 0 -105.1 126.3 -178.5 -120.5 73.8 148.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
176 176 PRO P + 0 0 -57.5 141.4 -174.1 179.0 42.3 101.6 0 0.0 0 0.0 0 0.0 0 0.0 11 53
177 177 GLY G B B B - 70 0 -139.3 -179.4 178.1 -82.9 29.5 142.9 70 -2.0 70 -2.6 0 0.0 0 0.0 12 53
178 178 LYS K E E A J - 0 94 -87.6 151.2 175.5 -119.3 38.4 129.2 94 -3.3 94 -2.2 0 0.0 0 0.0 13 57
179 179 ILE I E E A J - 0 93 -86.2 125.0 -177.6 -178.5 42.6 138.6 0 0.0 66 -2.7 0 0.0 0 0.0 12 65
180 180 A MET M E E AGJ - 65 92 -130.1 155.5 178.4 -172.9 22.0 164.0 92 -3.3 92 -2.7 0 0.0 0 0.0 13 64
181 181 MET M E E AGJ + 64 91 -142.1 134.8 179.7 164.2 19.6 172.3 64 -2.2 64 -2.7 0 0.0 0 0.0 11 71
182 182 ASN N E E AGJ - 63 90 -151.9 166.2 -176.9 -154.9 27.7 165.7 90 -0.7 90 -2.4 0 0.0 0 0.0 13 70
183 183 LEU L E E AGJ + 62 89 -144.0 123.9 -174.6 151.5 32.9 169.0 62 -1.9 62 -1.7 0 0.0 0 0.0 16 72
184 184 TRP W E E A J - 0 88 -157.1 159.4 178.4 -126.2 39.4 174.1 88 -2.0 88 -2.3 0 0.0 0 0.0 13 72
185 185 ASN N E E A J - 0 87 -107.7 142.2 -177.3 -145.0 31.5 149.4 0 0.0 31 -2.5 0 0.0 0 0.0 13 62
186 186 GLY G B e A - 30 0 -108.1 177.4 174.3 -161.9 12.3 123.3 86 -2.2 0 0.0 0 0.0 0 0.0 14 49
187 187 THR T S S S+ 0 0 -144.6 147.2 177.1 30.5 76.0 169.4 29 -1.5 0 0.0 0 0.0 0 0.0 10 36
188 188 GLY G S S S+ 0 0 84.7 -0.7 -177.0 79.5 103.7 57.9 0 0.0 0 0.0 0 0.0 0 0.0 5 24
189 189 VAL V h > > T + 0 0 -135.4 40.0 -175.7 138.7 41.4 99.2 0 0.0 193 -2.8 0 0.0 192 -1.1 10 25
190 190 ASP D H H > 3 TS+ 0 0 -56.5 -34.1 -179.4 60.0 71.3 35.2 0 0.0 194 -1.9 0 0.0 0 0.0 11 27
191 191 ASP D H H 4 3 TS+ 0 0 -63.3 -33.9 -179.3 35.0 115.2 35.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
192 192 TRP W H H 4 < TS+ 0 0 -87.5 -50.4 -174.6 17.4 135.4 25.5 189 -1.1 0 0.0 0 0.0 0 0.0 5 36
193 193 LEU L H H < TS- 0 0 -100.6 -10.0 -170.5 -117.8 101.7 53.8 189 -2.8 86 -2.3 0 0.0 0 0.0 15 40
194 194 GLY G h < T - 0 0 85.9 169.6 179.0 -56.4 50.9 96.4 190 -1.9 0 0.0 0 0.0 0 0.0 11 31
195 195 SER S - 0 0 -83.6 139.5 179.1 -124.4 54.2 129.1 0 0.0 0 0.0 0 0.0 0 0.0 10 29
196 196 TYR Y - 0 0 -84.0 131.4 -178.0 -163.7 19.0 134.5 0 0.0 0 0.0 0 0.0 0 0.0 14 44
197 197 ASN N - 0 0 -99.3 12.0 177.0 -106.3 42.8 77.2 0 0.0 0 0.0 0 0.0 0 0.0 6 33
198 198 GLY G + 0 0 80.6 4.3 -179.7 161.4 60.4 57.1 0 0.0 0 0.0 0 0.0 0 0.0 5 40
199 199 ALA A - 0 0 -64.7 138.8 -179.9 -141.3 26.8 110.4 0 0.0 0 0.0 0 0.0 0 0.0 7 37
200 200 ASN N + 0 0 -165.9 156.4 0.2 32.5 57.5 166.8 0 0.0 0 0.0 0 0.0 0 0.0 7 37
201 201 PRO P + 0 0 -80.2 156.1 178.0 169.2 66.6 57.0 0 0.0 0 0.0 0 0.0 0 0.0 8 43
202 202 LEU L E E AE - 51 0 -130.0 147.0 179.6 -161.9 12.2 164.3 51 -1.9 51 -2.5 0 0.0 0 0.0 10 51
203 203 TYR Y E E AE - 50 0 -133.2 146.9 171.2 -165.7 15.8 168.8 0 0.0 0 0.0 0 0.0 0 0.0 11 57
204 204 ALA A E E AE - 49 0 -119.2 141.1 179.1 -154.4 22.3 166.4 49 -2.2 49 -2.9 0 0.0 0 0.0 13 61
205 205 GLU E E E AEI - 48 80 -120.3 147.9 -179.9 -166.5 12.0 154.4 80 -2.5 80 -2.4 0 0.0 0 0.0 11 58
206 206 TYR Y E E AEI - 47 79 -127.8 125.0 -179.9 -176.0 4.6 176.5 47 -2.4 47 -2.8 0 0.0 0 0.0 12 61
207 207 ASP D E E A * - 0 0 -90.5 -32.6 -178.8 -15.9 68.3 36.3 78 -2.5 0 0.0 0 0.0 0 0.0 13 46
208 208 TRP W E E A I - 0 78 -163.6 163.1 176.9 -151.7 49.8 171.5 78 -1.0 78 -2.2 0 0.0 0 0.0 12 52
209 209 VAL V E E AAI - 8 77 -140.1 139.8 177.4 -172.8 15.6 168.8 8 -1.9 8 -3.1 0 0.0 0 0.0 12 55
210 210 LYS K E E AAI - 7 76 -137.3 142.8 177.9 -169.9 7.2 177.8 76 -2.9 76 -3.0 0 0.0 0 0.0 12 52
211 211 TYR Y E E AAI - 6 75 -131.0 128.7 178.4 -168.4 3.3 177.6 6 -2.5 6 -2.0 0 0.0 213 -0.5 12 48
212 212 THR T E E A I - 0 74 -118.8 115.0 -178.8 -150.1 13.4 165.3 74 -2.8 74 -2.2 0 0.0 0 0.0 10 32
213 213 SER S E E A I 0 73 -77.4 167.2 176.6 999.9 999.9 106.0 211 -0.5 0 0.0 0 0.0 0 0.0 9 30
214 214 ASN N e 0 0 -72.2 999.9 999.9 999.9 999.9 35.8 72 -0.8 0 0.0 0 0.0 0 0.0 4 25
2ayh-.pdb
2AYH HYDROLASE (GLUCANASE) 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROLASE (E.C.3.2. 1,3-1,4-BETA-D-GLUCAN 4 GLUCANOHYDROLASE: HYBRID P
author author
Kabs/Sand S EEE SS SSSEEE S TTB SEE GGGEEE TTS EEEEEEEEETTEEEEEEEEESS B SEEEEEEEE TTEEEEEEEEE GGGT Kabs/Sand
chirality +--+--+-+--+-+++-----+---+-+-+----++++---+-+-----+-+---+--+-+-+--+----+--++-+----+-++--+-+--++-++-+ chirality
bends S SS SSS S SS S SSS SSS SSSS SS SS SS SSSS bends
turns TTTT TTTTT TTTT TTTT TTTT TTTTT turns
5-turns >5555 5-turns
3-turns >33< >>3<< >33< >33< >33< >>3<< 3-turns
bridge-2 EEEEE FFF GGGG IIIIIIII KKKKKKKK bridge-2
bridge-1 AAA BBB A cc DDD DDD FF*F cc BBB B HHHHHHH JJJJJJJJ bridge-1
sheets AAA AAA AA AAA AAAAAAAAA AAAAAAAAA AAAAAAAA AAAAAAAAA sheets
4-turns 4-turns
summary S EEE SS SSeEEEe S tTTB SEEeTTeEEEeTTteEEEEEEEEETTEEEEEEEEEeS B eEEEEEEEE tTeEEEEEEEEEgGGGg summary
sequence QTGGSFFEPFNSYNSGTWEKADGYSNGGVFNCTWRANNVNFTNDGKLKLGLTSSAYNKFDCAEYRSTNIYGYGLYEVSMKPAKNTGIVSSFFTYTGPAHG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S EEEEEEEETT TTEEEEEEEBTTB EEEE SS GGGS EEEEEEEETTEEEEEETTEEEEEE SS S BEEEEEEEEBSS HHHH Kabs/Sand
chirality --++---+---+++++---+-----+++++------+--++--+--+---+-++-------+-++---++---+-+----+-+---++++++-----+-+ chirality
bends S SS SS SSS SS SSSS SS SSS SS S SS SSSS bends
turns T TTTTTTT TTTT TTTTT TTTT TTTT TTTTTT turns
5-turns < 5-turns
3-turns >33X33< >33< >>3<< >33< >33< >33< 3-turns
bridge-2 LLLLL MMMM NNNNNN OOOOO JJJJJJJJ bridge-2
bridge-1 KKKKKKKK LLLLLC C MMMM HHHHHHH NNNNNN OO*OOO B GGGG A bridge-1
sheets AAAAAAAA AAAAAAA AAAA AAAAAAAA AAAAAA AAAAAA AAAAAAAA sheets
4-turns >>44<< 4-turns
summary t EEEEEEEEeTtTeEEEEEEEBTTB EEEEeSSgGGGg EEEEEEEETTEEEEEEeTEEEEEE SS S BEEEEEEEEeSShHHHHh summary
sequence TQWDEIDIEFLGKDTTKVQFNYYTNGVGGHEKVISLGFDASKGFHTYAFDWQPGYIKWYVDGVLKHTATANIPSTPGKIMMNLWNGTGVDDWLGSYNGAN sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EEEEEEEEEEEE Kabs/Sand
chirality +----------- chirality
bends bends
turns turns
5-turns 5-turns
3-turns 3-turns
bridge-2 II*IIIIII bridge-2
bridge-1 EEEEE AAA bridge-1
sheets AAAAAAAAAAAA sheets
4-turns 4-turns
summary EEEEEEEEEEEEe summary
sequence PLYAEYDWVKYTSN sequence
210