Secondary structure calculation program - copyright by David Keith Smith, 1989
1pyaB.pdb
1PYA CARBOXY-LYASE PYRUVOYL-DEPENDENT HISTIDINE DECARBOXYLASE (L-HIST (LACTOBACILLUS SP., STRAIN 30A)
Sequence length - 228
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 B 83 PHE F 0 0 999.9 145.4 168.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 41
2 B 84 THR T B B A + 111 0 -128.0 115.9 -170.2 156.1 999.9 165.7 111 -2.1 111 -2.5 0 0.0 0 0.0 10 41
3 B 85 GLY G t > T - 0 0 -112.8 -136.7 -175.1 -25.9 53.2 80.6 0 0.0 6 -1.8 0 0.0 0 0.0 10 32
4 B 86 VAL V T T 3 TS+ 0 0 -62.1 -25.0 178.0 50.3 130.4 39.7 0 0.0 0 0.0 0 0.0 0 0.0 9 22
5 B 87 GLN Q T T 3 TS+ 0 0 -87.8 -4.9 -168.0 88.9 101.3 58.6 0 0.0 0 0.0 0 0.0 0 0.0 5 27
6 B 88 GLY G t < T - 0 0 -111.4 166.6 170.8 -179.3 42.6 118.9 3 -1.8 0 0.0 0 0.0 0 0.0 6 40
7 B 89 ARG R - 0 0 -143.5 154.2 -176.6 -129.9 27.2 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 46
8 B 90 VAL V t > > T - 0 0 -117.4 124.5 175.4 -120.1 20.3 162.1 0 0.0 12 -2.9 0 0.0 11 -1.8 7 59
9 B 91 ILE I T T 4 3 TS+ 0 0 -58.2 128.1 179.2 24.0 100.7 113.0 0 0.0 0 0.0 0 0.0 0 0.0 11 57
10 B 92 GLY G T T 4 3 TS+ 0 0 96.1 -12.1 -179.9 42.0 131.4 79.0 13 -2.4 16 -2.2 0 0.0 0 0.0 13 54
11 B 93 TYR Y T T 4 < TS+ 0 0 -126.8 -58.6 -177.7 20.0 123.9 46.5 8 -1.8 0 0.0 0 0.0 0 0.0 11 54
12 B 94 ASP D S t < TS+ 0 0 -88.2 -34.3 176.4 24.7 133.4 41.1 8 -2.9 0 0.0 0 0.0 0 0.0 9 47
13 B 95 ILE I S S S+ 0 0 -128.0 145.8 179.3 9.2 133.2 166.1 0 0.0 10 -2.4 0 0.0 0 0.0 13 49
14 B 96 LEU L S S S- 0 0 53.0 50.5 -171.5 -153.6 90.5 25.8 203 -2.4 0 0.0 206 -0.9 0 0.0 15 49
15 B 97 ARG R B B b - 207 0 -64.3 139.7 174.6 -127.0 7.3 100.7 206 -0.8 208 -2.7 0 0.0 0 0.0 14 43
16 B 98 SER S h > > T - 0 0 -80.3 135.8 172.4 -139.7 7.6 136.9 10 -2.2 19 -1.1 0 0.0 20 -0.7 14 46
17 B 99 PRO P H H > 3 TS+ 0 0 -60.9 -34.5 179.4 66.8 100.8 30.7 0 0.0 21 -1.6 0 0.0 0 0.0 8 38
18 B 100 GLU E H H 4 3 TS+ 0 0 -64.8 -13.4 176.8 65.6 91.2 49.4 0 0.0 0 0.0 0 0.0 0 0.0 7 36
19 B 101 VAL V H H 4 X TS+ 0 0 -70.4 -58.9 179.8 41.7 104.3 7.1 16 -1.1 22 -1.7 0 0.0 0 0.0 10 41
20 B 102 ASP D H H < 3 TS+ 0 0 -59.0 -33.1 178.1 49.4 117.0 36.9 16 -0.7 0 0.0 0 0.0 0 0.0 6 30
21 B 103 LYS K T h < 3 TS+ 0 0 -82.5 -6.7 -175.6 116.7 88.6 56.2 17 -1.6 0 0.0 0 0.0 0 0.0 6 23
22 B 104 ALA A t < T - 0 0 -72.6 143.6 175.3 -150.5 52.2 111.6 19 -1.7 0 0.0 0 0.0 0 0.0 7 27
23 B 105 LYS K - 0 0 -102.7 141.6 177.1 -106.7 27.6 144.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
24 B 106 PRO P - 0 0 -70.0 144.0 177.7 -147.5 12.6 118.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32
25 B 107 LEU L S S S- 0 0 -76.8 -39.0 175.1 -34.7 75.9 31.9 38 -3.2 0 0.0 0 0.0 0 0.0 8 32
26 B 108 PHE F E E AA - 38 0 -165.3 176.1 174.0 -112.9 63.5 158.2 38 -0.9 38 -2.5 0 0.0 0 0.0 7 32
27 B 109 THR T E E AA - 37 0 -123.7 160.6 -176.8 -153.1 15.6 151.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
28 B 110 GLU E E E AA - 36 0 -123.7 142.8 175.5 -122.3 21.3 159.1 36 -2.0 36 -2.9 0 0.0 0 0.0 11 39
29 B 111 THR T E E AA - 35 0 -94.3 137.7 -179.6 -150.6 26.5 144.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34
30 B 112 GLN Q e > T - 0 0 -99.4 165.5 -178.4 -94.2 32.6 129.7 34 -2.2 33 -2.5 0 0.0 0 0.0 13 36
31 B 113 TRP W T T 3 TS+ 0 0 -49.0 -33.4 -178.1 52.7 123.6 42.0 0 0.0 0 0.0 0 0.0 0 0.0 11 27
32 B 114 ASP D T T 3 TS- 0 0 -91.5 12.1 179.3 -104.4 120.0 79.0 0 0.0 0 0.0 0 0.0 0 0.0 5 24
33 B 115 GLY G S t < TS+ 0 0 83.5 -6.8 175.9 130.9 77.4 65.3 30 -2.5 0 0.0 0 0.0 0 0.0 6 21
34 B 116 SER S e - 0 0 -76.0 153.4 170.7 -116.8 59.5 116.7 0 0.0 30 -2.2 0 0.0 0 0.0 7 31
35 B 117 GLU E E E AA - 29 0 -81.8 143.4 176.7 -150.4 20.8 136.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33
36 B 118 LEU L E E AA - 28 0 -113.3 110.9 170.1 -142.4 12.1 165.5 28 -2.9 28 -2.0 0 0.0 0 0.0 12 46
37 B 119 PRO P E E AA - 27 0 -67.3 134.2 -179.7 -150.0 10.9 128.8 0 0.0 157 -2.0 0 0.0 39 -0.5 12 40
38 B 120 ILE I E E AAb - 26 157 -113.1 129.0 -175.6 -178.2 18.7 161.5 26 -2.5 25 -3.2 0 0.0 26 -0.9 14 53
39 B 121 TYR Y E E A b - 0 158 -120.9 160.6 173.6 -98.5 35.1 140.1 157 -3.3 159 -2.9 37 -0.5 0 0.0 13 49
40 B 122 ASP D E E A b - 0 159 -78.5 135.0 -174.9 -145.5 29.1 132.8 0 0.0 0 0.0 0 0.0 0 0.0 10 51
41 B 123 ALA A h > > T + 0 0 -85.3 2.2 -177.0 113.4 65.8 59.7 159 -2.5 45 -1.8 0 0.0 44 -1.6 10 61
42 B 124 LYS K H H > 3 TS+ 0 0 -48.2 -42.8 172.0 55.5 72.7 39.2 0 0.0 46 -2.7 0 0.0 0 0.0 7 52
43 B 125 PRO P H H > 3 TS+ 0 0 -51.2 -39.0 -176.7 45.4 112.7 26.0 0 0.0 47 -1.8 0 0.0 0 0.0 11 52
44 B 126 LEU L H H > < TS+ 0 0 -76.7 -40.8 176.1 49.1 112.0 26.0 41 -1.6 48 -1.3 0 0.0 0 0.0 12 59
45 B 127 GLN Q H H X TS+ 0 0 -60.7 -45.9 178.6 47.8 113.9 17.9 41 -1.8 49 -1.2 0 0.0 0 0.0 9 56
46 B 128 ASP D H H X TS+ 0 0 -60.8 -40.1 -177.8 60.9 103.7 29.3 42 -2.7 50 -1.9 0 0.0 0 0.0 10 49
47 B 129 ALA A H H X TS+ 0 0 -60.6 -37.6 179.9 53.5 101.0 30.1 43 -1.8 51 -1.6 0 0.0 0 0.0 15 56
48 B 130 LEU L H H X TS+ 0 0 -69.4 -34.1 176.2 54.1 105.3 30.0 44 -1.3 52 -2.5 0 0.0 0 0.0 11 60
49 B 131 VAL V H H X TS+ 0 0 -65.3 -36.3 177.1 52.9 107.2 23.3 45 -1.2 53 -2.1 0 0.0 0 0.0 11 48
50 B 132 GLU E H H < TS+ 0 0 -62.5 -37.0 -179.3 38.3 116.0 31.1 46 -1.9 0 0.0 0 0.0 0 0.0 11 56
51 B 133 TYR Y H H < TS+ 0 0 -80.3 -51.3 -176.1 33.2 125.5 23.0 47 -1.6 60 -2.6 0 0.0 0 0.0 9 60
52 B 134 PHE F H H < TS- 0 0 -76.7 -32.6 -175.8 -146.7 99.2 30.0 48 -2.5 59 -2.5 0 0.0 61 -0.7 11 47
53 B 135 GLY G B h < C T - 58 0 88.5 178.9 179.0 -80.3 19.4 109.5 49 -2.1 0 0.0 0 0.0 0 0.0 13 36
54 B 136 THR T - 0 0 -110.2 179.0 -179.1 -94.3 45.6 126.9 57 -1.8 0 0.0 0 0.0 0 0.0 8 27
55 B 137 GLU E S S S+ 0 0 -66.7 -33.6 177.7 41.6 127.8 32.4 0 0.0 0 0.0 0 0.0 0 0.0 5 18
56 B 138 GLN Q S S S+ 0 0 -82.7 -23.7 -175.6 34.5 126.4 39.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
57 B 139 ASP D S S S- 0 0 -133.9 76.1 -174.5 -169.9 83.2 132.3 0 0.0 54 -1.8 0 0.0 0 0.0 6 23
58 B 140 ARG R B B C + 53 0 -72.3 132.8 -177.7 160.9 15.0 116.2 0 0.0 0 0.0 0 0.0 0 0.0 9 26
59 B 141 ARG R - 0 0 -122.9 -110.9 -175.1 -16.5 67.9 77.6 52 -2.5 61 -0.7 0 0.0 0 0.0 9 35
60 B 142 HIS H S S S+ 0 0 -101.6 51.4 -178.9 153.8 84.4 101.8 51 -2.6 0 0.0 0 0.0 0 0.0 9 39
61 B 143 TYR Y - 0 0 -69.8 162.7 179.1 -76.8 54.2 101.4 59 -0.7 0 0.0 52 -0.7 0 0.0 8 32
62 B 144 PRO P - 0 0 -62.6 144.7 -178.4 -93.0 58.6 108.0 0 0.0 0 0.0 0 0.0 0 0.0 7 32
63 B 145 ALA A t > T - 0 0 -58.6 148.1 173.5 -86.8 50.9 101.2 0 0.0 66 -2.4 0 0.0 0 0.0 5 25
64 B 146 PRO P T T 3 TS+ 0 0 -53.2 117.0 175.4 3.1 113.9 109.0 0 0.0 0 0.0 0 0.0 0 0.0 4 13
65 B 147 GLY G T T 3 TS+ 0 0 81.9 9.7 175.4 147.0 93.8 55.0 0 0.0 0 0.0 0 0.0 0 0.0 4 9
66 B 148 SER S t < T - 0 0 -71.2 158.7 172.2 -116.3 52.5 110.7 63 -2.4 68 -0.6 0 0.0 0 0.0 6 16
67 B 149 PHE F - 0 0 -94.9 113.8 -177.1 -178.0 35.1 153.7 0 0.0 69 -0.6 0 0.0 0 0.0 4 16
68 B 150 ILE I - 0 0 -117.6 115.3 171.6 -141.9 19.6 166.4 66 -0.6 0 0.0 0 0.0 0 0.0 8 20
69 B 151 VAL V e - 0 0 -75.5 132.0 -177.9 -174.3 27.4 127.8 67 -0.6 180 -1.8 0 0.0 0 0.0 6 20
70 B 152 CYS C E E BC - 179 0 -130.9 139.0 168.2 -131.5 33.8 172.3 0 0.0 72 -0.9 0 0.0 0 0.0 8 27
71 B 153 ALA A E E BC + 178 0 -82.7 113.0 -175.1 159.5 58.8 144.8 178 -2.5 178 -1.9 0 0.0 0 0.0 8 31
72 B 154 ASN N E E BC + 177 0 -151.6 154.4 179.4 166.0 33.8 172.8 70 -0.9 0 0.0 0 0.0 0 0.0 9 33
73 B 155 LYS K E E BC + 176 0 -149.8 165.6 -177.7 174.6 13.3 159.3 176 -1.7 176 -2.9 0 0.0 0 0.0 10 33
74 B 156 GLY G E E BC - 175 0 -167.7 171.3 -180.0 -142.1 16.8 163.8 0 0.0 0 0.0 0 0.0 0 0.0 11 33
75 B 157 VAL V E E BC - 174 0 -148.2 146.3 175.8 -157.5 7.0 171.2 174 -1.9 174 -2.4 0 0.0 0 0.0 13 39
76 B 158 THR T E E BC + 173 0 -121.5 149.5 175.6 168.3 16.2 151.1 0 0.0 0 0.0 0 0.0 0 0.0 10 37
77 B 159 ALA A E E BC - 172 0 -162.6 143.2 177.4 -136.5 24.0 156.8 172 -1.5 172 -2.5 0 0.0 0 0.0 13 39
78 B 160 GLU E E E BC - 171 0 -97.8 140.9 168.2 -150.0 4.4 142.8 0 0.0 91 -2.3 0 0.0 0 0.0 12 39
79 B 161 ARG R E E BC - 170 0 -102.6 117.5 179.5 -116.6 38.1 170.3 170 -2.6 169 -2.0 0 0.0 170 -0.7 15 38
80 B 162 PRO P - 0 0 -57.2 143.9 -174.3 -130.4 12.4 103.1 0 0.0 0 0.0 0 0.0 0 0.0 11 31
81 B 163 LYS K S S S- 0 0 -70.4 -28.5 176.7 -1.7 95.1 43.5 0 0.0 0 0.0 0 0.0 0 0.0 7 23
82 B 164 ASN N S S S+ 0 0 -163.0 70.1 -178.9 110.7 101.1 111.4 0 0.0 0 0.0 0 0.0 0 0.0 6 18
83 B 165 ASP D - 0 0 -149.8 136.1 174.2 -165.2 43.8 172.4 0 0.0 0 0.0 0 0.0 0 0.0 6 22
84 B 166 ALA A S S S+ 0 0 -84.7 -36.0 177.0 79.3 80.6 36.7 0 0.0 86 -0.6 0 0.0 0 0.0 5 19
85 B 167 ASP D - 0 0 -75.8 112.4 172.5 -157.3 69.0 129.2 0 0.0 87 -0.5 0 0.0 0 0.0 4 19
86 B 168 MET M - 0 0 -82.9 123.7 172.2 -142.0 13.1 140.4 84 -0.6 0 0.0 0 0.0 0 0.0 10 28
87 B 169 LYS K t > T - 0 0 -80.7 158.4 -162.4 -87.9 40.1 129.1 85 -0.5 90 -2.9 0 0.0 0 0.0 5 23
88 B 170 PRO P T T 3 TS+ 0 0 -58.1 -16.1 174.1 51.4 126.4 54.8 0 0.0 0 0.0 0 0.0 0 0.0 4 22
89 B 171 GLY G T T 3 TS+ 0 0 -84.8 -13.6 -171.4 85.9 100.6 49.1 0 0.0 0 0.0 0 0.0 0 0.0 7 27
90 B 172 GLN Q t < T + 0 0 -88.3 166.8 -178.6 147.8 46.9 106.0 87 -2.9 0 0.0 0 0.0 0 0.0 11 37
91 B 173 GLY G - 0 0 -178.2 -178.6 -177.6 -102.6 50.4 170.4 78 -2.3 0 0.0 0 0.0 0 0.0 13 43
92 B 174 TYR Y S e S+ 0 0 -97.7 -27.1 -177.3 10.7 94.9 43.9 120 -2.7 166 -2.0 0 0.0 0 0.0 14 45
93 B 175 GLY G E E ADE - 120 165 -148.3 169.3 -177.4 -145.0 58.6 159.0 120 -1.7 120 -2.6 0 0.0 0 0.0 16 50
94 B 176 VAL V E E ADE - 119 164 -139.0 144.8 -177.5 -176.9 18.4 168.2 164 -2.4 164 -1.9 0 0.0 0 0.0 19 52
95 B 177 TRP W E E ADE - 118 163 -142.2 157.5 173.4 -165.5 8.3 166.3 118 -2.3 118 -2.0 0 0.0 0 0.0 15 56
96 B 178 SER S E E ADE - 117 162 -141.3 159.6 -175.6 -163.2 6.7 164.9 162 -2.3 162 -2.0 0 0.0 0 0.0 16 51
97 B 179 ALA A E E ADE - 116 161 -144.3 151.1 176.5 -167.0 7.0 170.5 116 -2.9 116 -2.0 0 0.0 0 0.0 12 59
98 B 180 ILE I E E ADE - 115 160 -138.6 141.4 178.2 -171.4 4.5 168.5 160 -2.3 160 -2.5 0 0.0 0 0.0 13 61
99 B 181 ALA A E E ADE - 114 159 -130.8 126.8 170.8 -165.2 4.1 173.6 114 -1.8 114 -1.6 0 0.0 0 0.0 14 65
100 B 182 ILE I E E ADE - 113 158 -110.9 133.3 178.9 -169.0 4.8 167.7 158 -2.3 158 -2.2 0 0.0 0 0.0 11 66
101 B 183 SER S E E ADE - 112 157 -119.8 117.3 -173.8 -142.9 14.6 171.3 112 -2.9 112 -2.1 0 0.0 0 0.0 13 66
102 B 184 PHE F E E A E - 0 156 -88.2 130.4 -176.8 -119.5 19.9 134.1 156 -1.5 155 -2.9 0 0.0 156 -0.7 12 54
103 B 185 ALA A E E A E - 0 154 -68.1 142.8 177.8 -139.3 7.5 114.4 0 0.0 0 0.0 0 0.0 0 0.0 14 47
104 B 186 LYS K S e S+ 0 0 -68.0 -38.1 176.5 33.9 103.2 29.7 153 -2.2 0 0.0 0 0.0 0 0.0 8 36
105 B 187 ASP D S t > > TS- 0 0 -118.4 94.4 -175.6 -179.6 70.5 139.8 153 -0.5 109 -2.5 0 0.0 108 -1.5 8 27
106 B 188 PRO P T T 4 3 TS+ 0 0 -71.6 -8.9 -179.8 69.9 74.1 53.5 0 0.0 0 0.0 0 0.0 0 0.0 11 29
107 B 189 THR T T T 4 3 TS+ 0 0 -84.6 -16.3 173.5 15.2 119.9 50.5 0 0.0 0 0.0 0 0.0 0 0.0 6 22
108 B 190 LYS K T T 4 < TS+ 0 0 -127.1 -22.2 177.1 53.1 122.2 51.1 105 -1.5 0 0.0 0 0.0 0 0.0 6 23
109 B 191 ASP D S t < TS- 0 0 -115.3 143.3 174.3 -130.4 72.8 155.9 105 -2.5 0 0.0 0 0.0 0 0.0 12 33
110 B 192 SER S - 0 0 -82.6 154.3 174.4 -122.3 18.9 122.8 0 0.0 0 0.0 0 0.0 0 0.0 13 37
111 B 193 SER S B B A - 2 0 -84.0 158.6 -176.8 -143.4 38.3 123.6 2 -2.5 2 -2.1 0 0.0 0 0.0 13 49
112 B 194 MET M E E AD - 101 0 -140.2 150.3 172.6 -152.7 20.1 164.9 101 -2.1 101 -2.9 0 0.0 0 0.0 12 58
113 B 195 PHE F E E AD - 100 0 -102.6 130.3 162.7 -172.3 10.7 156.5 0 0.0 0 0.0 0 0.0 0 0.0 10 58
114 B 196 VAL V E E AD - 99 0 -117.2 146.5 -175.6 -167.3 13.8 168.1 99 -1.6 99 -1.8 0 0.0 0 0.0 9 50
115 B 197 GLU E E E AD - 98 0 -129.8 150.5 -178.1 -176.6 7.7 162.1 0 0.0 0 0.0 0 0.0 0 0.0 11 48
116 B 198 ASP D E E AD + 97 0 -144.4 159.2 177.5 177.1 4.7 161.8 97 -2.0 97 -2.9 0 0.0 0 0.0 10 46
117 B 199 ALA A E E AD + 96 0 -157.2 154.5 177.3 154.3 11.7 165.0 0 0.0 0 0.0 0 0.0 0 0.0 14 48
118 B 200 GLY G E E AD - 95 0 -172.2 176.1 -179.7 -92.7 37.4 170.4 95 -2.0 95 -2.3 0 0.0 0 0.0 8 49
119 B 201 VAL V E E AD - 94 0 -101.3 148.0 -179.8 -143.2 27.9 134.7 0 0.0 0 0.0 0 0.0 0 0.0 13 48
120 B 202 TRP W E E AD - 93 0 -117.6 134.4 -173.1 -165.6 7.1 164.1 93 -2.6 92 -2.7 0 0.0 93 -1.7 10 49
121 B 203 GLU E + 0 0 -111.5 27.0 176.8 77.8 60.4 86.4 0 0.0 0 0.0 0 0.0 0 0.0 7 42
122 B 204 THR T S S S- 0 0 -131.5 142.6 179.3 -135.7 70.6 169.6 0 0.0 0 0.0 0 0.0 0 0.0 10 37
123 B 205 PRO P S S S+ 0 0 -73.7 -1.6 -172.5 97.4 79.9 57.2 0 0.0 125 -0.7 0 0.0 0 0.0 7 35
124 B 206 ASN N h > T - 0 0 -102.4 110.1 -179.2 -165.5 56.4 140.3 0 0.0 128 -1.7 0 0.0 0 0.0 6 24
125 B 207 GLU E H H > TS+ 0 0 -61.8 -34.8 175.7 61.1 88.4 35.3 123 -0.7 129 -2.5 0 0.0 0 0.0 8 27
126 B 208 ASP D H H > TS+ 0 0 -61.4 -37.3 177.7 50.9 104.4 26.1 0 0.0 130 -1.9 0 0.0 0 0.0 6 21
127 B 209 GLU E H H > TS+ 0 0 -68.5 -41.6 173.6 51.8 107.8 20.4 0 0.0 131 -2.6 0 0.0 0 0.0 8 24
128 B 210 LEU L H H X TS+ 0 0 -57.4 -44.1 178.0 52.2 108.2 21.0 124 -1.7 132 -2.9 0 0.0 0 0.0 10 33
129 B 211 LEU L H H X TS+ 0 0 -60.4 -37.5 175.7 50.1 109.1 24.2 125 -2.5 133 -1.7 0 0.0 0 0.0 8 35
130 B 212 GLU E H H X TS+ 0 0 -64.0 -45.7 -178.9 48.5 111.9 18.3 126 -1.9 134 -1.5 0 0.0 0 0.0 8 24
131 B 213 TYR Y H H X TS+ 0 0 -60.6 -44.1 -179.2 56.2 106.6 23.8 127 -2.6 135 -1.3 0 0.0 0 0.0 8 35
132 B 214 LEU L H H X TS+ 0 0 -60.6 -36.6 176.2 55.5 101.4 30.0 128 -2.9 136 -1.3 0 0.0 0 0.0 9 44
133 B 215 GLU E H H X TS+ 0 0 -65.7 -31.0 175.5 52.5 107.3 22.2 129 -1.7 137 -0.9 0 0.0 0 0.0 8 40
134 B 216 GLY G H H X TS+ 0 0 -69.4 -29.8 176.5 60.2 100.7 36.3 130 -1.5 138 -2.0 0 0.0 0 0.0 8 35
135 B 217 ARG R H H X TS+ 0 0 -69.1 -27.3 172.7 61.2 96.9 33.7 131 -1.3 139 -3.1 0 0.0 0 0.0 8 43
136 B 218 ARG R H H X TS+ 0 0 -61.0 -40.7 177.1 45.0 106.7 27.8 132 -1.3 140 -2.2 0 0.0 0 0.0 9 48
137 B 219 LYS K H H X TS+ 0 0 -67.6 -42.5 178.6 50.3 113.2 22.2 133 -0.9 141 -2.3 0 0.0 0 0.0 8 42
138 B 220 ALA A H H X TS+ 0 0 -61.9 -46.3 177.4 45.9 113.0 20.1 134 -2.0 142 -2.1 0 0.0 0 0.0 8 38
139 B 221 MET M H H X TS+ 0 0 -64.3 -40.0 175.1 52.9 110.4 27.2 135 -3.1 143 -2.1 0 0.0 0 0.0 10 48
140 B 222 ALA A H H X TS+ 0 0 -59.4 -39.9 174.5 52.7 108.0 26.1 136 -2.2 144 -2.2 0 0.0 0 0.0 11 53
141 B 223 LYS K H H X TS+ 0 0 -60.7 -48.4 -178.8 46.3 110.6 15.2 137 -2.3 145 -1.7 0 0.0 0 0.0 9 43
142 B 224 SER S H H X TS+ 0 0 -70.2 -27.9 173.8 55.1 109.1 33.1 138 -2.1 146 -2.6 0 0.0 0 0.0 8 40
143 B 225 ILE I H H X TS+ 0 0 -64.3 -46.1 179.7 49.9 107.3 19.1 139 -2.1 147 -2.7 0 0.0 0 0.0 10 54
144 B 226 ALA A H H X TS+ 0 0 -63.5 -34.0 177.3 47.7 112.8 30.1 140 -2.2 148 -2.1 0 0.0 0 0.0 12 48
145 B 227 GLU E H H X TS+ 0 0 -72.0 -45.0 175.8 47.6 111.9 21.9 141 -1.7 149 -2.0 0 0.0 0 0.0 10 31
146 B 228 CYS C H H X TS+ 0 0 -60.5 -37.3 177.4 53.3 111.8 27.9 142 -2.6 150 -0.8 0 0.0 0 0.0 8 36
147 B 229 GLY G H H < >>TS+ 0 0 -60.3 -50.5 179.4 51.0 106.3 18.1 143 -2.7 152 -2.2 0 0.0 150 -1.3 13 45
148 B 230 GLN Q H H < >5TS+ 0 0 -54.8 -42.9 177.7 59.9 104.1 26.9 144 -2.1 151 -0.8 0 0.0 0 0.0 11 30
149 B 231 ASP D H H < 35TS+ 0 0 -56.6 -29.7 -178.9 25.1 120.6 45.1 145 -2.0 0 0.0 0 0.0 0 0.0 7 20
150 B 232 ALA A T h < <5TS- 0 0 -116.8 4.1 -173.8 -121.5 107.1 72.7 147 -1.3 0 0.0 146 -0.8 0 0.0 6 27
151 B 233 HIS H T T <5T + 0 0 45.0 52.1 -178.7 153.4 59.7 25.8 148 -0.8 0 0.0 0 0.0 0 0.0 7 31
152 B 234 ALA A t T - 0 0 -80.4 166.1 177.0 -66.2 53.6 114.0 0 0.0 170 -1.3 0 0.0 0 0.0 7 30
168 B 250 PRO P T T 3 TS+ 0 0 -55.8 127.1 178.6 17.4 125.4 111.6 0 0.0 0 0.0 0 0.0 0 0.0 8 27
169 B 251 GLY G T T 3 TS+ 0 0 80.2 26.6 173.8 120.0 98.3 41.4 79 -2.0 0 0.0 0 0.0 0 0.0 10 28
170 B 252 GLN Q E E BC < T - 79 0 -116.6 155.6 170.3 -142.3 52.3 151.0 167 -1.3 79 -2.6 79 -0.7 0 0.0 10 28
171 B 253 ILE I E E BC - 78 0 -110.2 137.1 177.4 -158.4 17.8 158.5 0 0.0 0 0.0 0 0.0 0 0.0 9 34
172 B 254 GLY G E E BC - 77 0 -116.7 146.5 -178.7 -166.1 7.0 157.2 77 -2.5 77 -1.5 0 0.0 0 0.0 12 37
173 B 255 ASN N E E BC - 76 0 -132.2 121.5 178.2 -168.4 3.0 179.0 0 0.0 0 0.0 0 0.0 0 0.0 9 38
174 B 256 ALA A E E BC - 75 0 -117.3 130.5 -172.5 -172.5 13.2 172.3 75 -2.4 75 -1.9 0 0.0 0 0.0 14 41
175 B 257 ILE I E E BC - 74 0 -126.0 152.2 179.4 -162.0 17.7 152.7 0 0.0 0 0.0 0 0.0 0 0.0 11 36
176 B 258 THR T E E BC + 73 0 -135.0 125.0 -176.5 170.0 22.3 176.5 73 -2.9 73 -1.7 0 0.0 0 0.0 14 44
177 B 259 VAL V E E BC - 72 0 -147.3 138.4 176.2 -165.5 29.2 175.3 0 0.0 0 0.0 0 0.0 0 0.0 9 47
178 B 260 ALA A E E BC - 71 0 -116.4 104.3 176.9 -152.7 27.6 168.9 71 -1.9 71 -2.5 0 0.0 0 0.0 7 52
179 B 261 PRO P E E BC - 70 0 -74.6 148.7 173.9 -143.9 4.1 123.7 0 0.0 181 -0.6 0 0.0 0 0.0 8 43
180 B 262 TYR Y e + 0 0 -119.4 112.1 -171.1 167.4 37.1 161.0 69 -1.8 0 0.0 0 0.0 0 0.0 7 36
181 B 263 VAL V - 0 0 -127.2 170.8 173.7 -125.0 40.7 135.7 179 -0.6 0 0.0 0 0.0 0 0.0 5 34
182 B 264 SER S - 0 0 -106.5 137.6 -176.7 -126.3 34.0 154.0 0 0.0 0 0.0 0 0.0 0 0.0 4 35
183 B 265 LEU L - 0 0 -95.3 127.5 178.6 -130.6 17.9 135.8 0 0.0 0 0.0 0 0.0 0 0.0 5 46
184 B 266 PRO P g > T - 0 0 -74.2 148.6 -179.6 -121.1 19.9 122.0 0 0.0 187 -1.9 0 0.0 0 0.0 7 33
185 B 267 ILE I G G > TS+ 0 0 -58.6 -33.6 -176.7 63.8 107.5 29.5 0 0.0 188 -2.2 0 0.0 0 0.0 9 31
186 B 268 ASP D G G 3 TS+ 0 0 -74.1 -5.4 176.1 57.2 96.5 52.5 0 0.0 0 0.0 0 0.0 0 0.0 6 33
187 B 269 SER S G G < TS+ 0 0 -95.0 -1.7 -177.1 80.9 93.5 61.9 184 -1.9 0 0.0 0 0.0 0 0.0 8 48
188 B 270 ILE I S g X TS- 0 0 -107.2 109.1 -179.5 -133.1 84.4 154.9 185 -2.2 191 -2.4 0 0.0 190 -0.6 10 43
189 B 271 PRO P T T 3 TS- 0 0 -63.4 107.9 -179.4 -1.1 94.6 117.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38
190 B 272 GLY G T T 3 TS+ 0 0 86.7 9.1 178.5 144.6 100.2 53.5 188 -0.6 0 0.0 0 0.0 0 0.0 6 30
191 B 273 GLY G t < T - 0 0 -75.1 163.8 173.0 -165.9 29.4 110.6 188 -2.4 0 0.0 0 0.0 0 0.0 11 27
192 B 274 SER S t > T - 0 0 -143.9 146.7 174.3 -128.1 31.5 167.4 0 0.0 195 -1.5 0 0.0 0 0.0 8 20
193 B 275 ILE I T T 3 TS+ 0 0 -60.8 -25.5 178.5 60.5 113.9 37.3 0 0.0 0 0.0 0 0.0 0 0.0 6 20
194 B 276 LEU L T T 3 TS+ 0 0 -77.8 -16.7 179.2 52.1 100.8 47.3 0 0.0 0 0.0 0 0.0 0 0.0 4 18
195 B 277 THR T h > < T + 0 0 -116.9 64.3 -170.9 161.2 64.1 118.6 192 -1.5 199 -2.2 0 0.0 0 0.0 8 19
196 B 278 PRO P H H > TS+ 0 0 -54.8 -46.5 179.4 43.5 76.2 28.3 0 0.0 200 -1.3 0 0.0 0 0.0 8 22
197 B 279 ASP D H H > TS+ 0 0 -65.8 -39.2 -177.3 51.1 112.9 32.4 0 0.0 201 -1.4 0 0.0 0 0.0 6 25
198 B 280 LYS K H H > TS+ 0 0 -71.4 -35.3 177.0 61.7 102.9 32.5 0 0.0 202 -2.3 0 0.0 0 0.0 8 24
199 B 281 ASP D H H X TS+ 0 0 -57.4 -41.9 178.1 47.8 104.1 26.6 195 -2.2 203 -1.6 0 0.0 0 0.0 13 29
200 B 282 MET M H H X TS+ 0 0 -70.1 -37.5 175.5 53.7 109.3 27.5 196 -1.3 204 -1.6 0 0.0 0 0.0 8 38
201 B 283 GLU E H H X TS+ 0 0 -62.2 -42.6 177.2 53.5 105.9 23.8 197 -1.4 205 -2.2 0 0.0 0 0.0 8 32
202 B 284 ILE I H H X TS+ 0 0 -54.6 -48.0 -177.3 45.1 111.1 18.2 198 -2.3 206 -1.3 0 0.0 0 0.0 12 38
203 B 285 MET M H H < TS+ 0 0 -67.8 -30.1 177.0 51.5 112.8 39.0 199 -1.6 14 -2.4 0 0.0 0 0.0 11 47
204 B 286 GLU E H H < TS+ 0 0 -75.8 -32.2 177.4 50.5 110.0 37.3 200 -1.6 0 0.0 0 0.0 0 0.0 11 36
205 B 287 ASN N H H < TS+ 0 0 -81.5 -20.4 179.9 79.3 97.8 47.5 201 -2.2 0 0.0 0 0.0 0 0.0 8 33
206 B 288 LEU L h < T - 0 0 -92.5 138.6 169.6 -146.2 68.0 136.8 202 -1.3 14 -0.9 0 0.0 15 -0.8 11 36
207 B 289 THR T B h > b T - 15 0 -86.6 163.5 176.6 -99.6 36.7 127.5 0 0.0 211 -2.7 0 0.0 0 0.0 13 42
208 B 290 MET M H H > TS+ 0 0 -52.4 -48.0 173.3 50.6 122.4 29.4 15 -2.7 212 -2.7 0 0.0 0 0.0 12 49
209 B 291 PRO P H H > TS+ 0 0 -53.9 -47.7 175.7 47.2 113.0 24.6 0 0.0 213 -2.5 0 0.0 0 0.0 8 43
210 B 292 GLU E H H > TS+ 0 0 -59.5 -48.5 -179.9 47.8 112.8 22.2 0 0.0 214 -2.8 0 0.0 0 0.0 8 33
211 B 293 TRP W H H X TS+ 0 0 -62.4 -44.9 -179.2 51.4 110.9 18.4 207 -2.7 215 -1.8 0 0.0 0 0.0 11 48
212 B 294 LEU L H H X >TS+ 0 0 -58.2 -42.5 -179.7 47.1 112.8 21.2 208 -2.7 217 -2.6 0 0.0 216 -1.5 11 44
213 B 295 GLU E H H < >5TS+ 0 0 -63.3 -51.6 -178.2 49.6 111.1 18.6 209 -2.5 216 -0.7 0 0.0 0 0.0 9 26
214 B 296 LYS K H H < 35TS+ 0 0 -59.6 -28.2 -177.6 42.4 116.6 44.9 210 -2.8 0 0.0 0 0.0 0 0.0 8 27
215 B 297 MET M H H < 35TS- 0 0 -92.4 -20.9 -176.5 -122.9 108.6 47.4 211 -1.8 0 0.0 0 0.0 0 0.0 8 33
216 B 298 GLY G T h < <5T + 0 0 79.0 38.4 -179.6 145.4 60.7 32.7 212 -1.5 0 0.0 213 -0.7 0 0.0 6 24
217 B 299 TYR Y t TS+ 0 0 -102.4 -8.1 -168.6 122.3 80.7 51.7 0 0.0 225 -1.1 0 0.0 0 0.0 11 37
222 B 304 ALA A T T 4 TS+ 0 0 -36.2 -70.0 -173.8 23.9 76.3 49.1 0 0.0 224 -1.5 0 0.0 0 0.0 6 29
223 B 305 ASN N T T 4 TS- 0 0 -106.7 71.8 -174.3 -74.5 128.8 121.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
224 B 306 ASN N T T 4 TS+ 0 0 43.9 46.7 -176.0 153.4 83.9 35.9 222 -1.5 0 0.0 0 0.0 0 0.0 6 23
225 B 307 ALA A t < T + 0 0 -72.8 -24.5 -176.7 78.4 46.6 43.7 221 -1.1 0 0.0 0 0.0 0 0.0 7 20
226 B 308 LEU L + 0 0 -95.3 130.2 175.6 175.4 54.2 143.4 0 0.0 0 0.0 0 0.0 0 0.0 7 31
227 B 309 LYS K 0 0 -135.7 138.7 -171.6 999.9 999.9 177.5 0 0.0 0 0.0 0 0.0 0 0.0 4 31
228 B 310 TYR Y 0 0 -115.7 999.9 999.9 999.9 999.9 46.3 0 0.0 163 -1.3 0 0.0 0 0.0 5 41
1pyaB.pdb
1PYA CARBOXY-LYASE PYRUVOYL-DEPENDENT HISTIDINE DECARBOXYLASE (L-HIST (LACTOBACILLUS SP., STRAIN 30A)
author author
Kabs/Sand B TT TTTSSSB HHHHT SEEEE TTS EEEEEE HHHHHHHHHHHB SSSB S TT EEEEEEEEEE SS S TT SEEEEEEEE Kabs/Sand
chirality +-++---+++++---+++++---------+-+-------+++++++++++---++-+-+---++-----+++--+-----+-+---+++-+-------- chirality
bends SS SSSSSS SSSSS S SSS SSSSSSSSSSS SSS S SS SS S SS S bends
turns TTTT TTTTT TTTTTTT TTTT TTTTTTTTTTTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33X33< >33< >33< >33< >33< 3-turns
bridge-2 bbb EEEEEEEE bridge-2
bridge-1 A b AAAA AAAA C C CCCCCCCCCC DDDDDDDD bridge-1
sheets AAAA AAAAAA BBBBBBBBBB AAAAAAAA sheets
4-turns >444< >>44<< >>>>XXXXX<<<< 4-turns
summary BtTTt tTTTtSSBhHHHHht SEEEEeTTteEEEEEEhHHHHHHHHHHHh SSSB S tTTt eEEEEEEEEEE SS S tTTt eEEEEEEEE summary
sequence FTGVQGRVIGYDILRSPEVDKAKPLFTETQWDGSELPIYDAKPLQDALVEYFGTEQDRRHYPAPGSFIVCANKGVTAERPKNDADMKPGQGYGVWSAIAI sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEESSTTTS BEEEEEEEEE SS HHHHHHHHHHHHHHHHHHHHHHHHHTT EEEEEEEEEEEE TTEEEEEEEEEE GGGSTT TT HHHHH Kabs/Sand
chirality ---+-+++-------++---+-+-+++++++++++++++++++++++++-+-------+--+-----++------+---+----+++--+--++++++++ chirality
bends SSSSSS SS SSSSSSSSSSSSSSSSSSSSSSSSSS S SS SSSSSS SS SSSSS bends
turns TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >>3<< >33< >>333< 3-turns
bridge-2 EEE E*EEEEEEEEEE bridge-2
bridge-1 D ADDDDDDDDD bbb CCCCCCCCCC bridge-1
sheets AAA AAAAAAAAA AAAAAAAAAAAA BBBBBBBBBB sheets
4-turns >444< >>>>XXXXXXXXXXXXXXXXXXX<<<< >>>>XX 4-turns
summary EEEetTTTt BEEEEEEEEE SShHHHHHHHHHHHHHHHHHHHHHHHHHhTteEEEEEEEEEEEEetTTEEEEEEEEEEe gGGGgTTttTThHHHHH summary
sequence SFAKDPTKDSSMFVEDAGVWETPNEDELLEYLEGRRKAMAKSIAECGQDAHASFESSWIGFAYTMMEPGQIGNAITVAPYVSLPIDSIPGGSILTPDKDM sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHH BHHHHHHHHT SSTTT Kabs/Sand
chirality +++++--+++++++-+---+++-+++ chirality
bends SSSSS SSSSSSSS SSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 b bridge-1
sheets sheets
4-turns XX<<<<>>>>XX<<<< >444< 4-turns
summary HHHHHhhHHHHHHHHht StTTTt summary
sequence EIMENLTMPEWLEKMGYKSLSANNALKY sequence
210 220