Secondary structure calculation program - copyright by David Keith Smith, 1989
1ci0A.pdb
1CI0 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 205
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 A 24 PHE F 0 0 999.9 19.2 176.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 35
2 A 25 THR T - 0 0 -125.0 163.5 -178.8 -146.9 999.9 145.8 0 0.0 0 0.0 0 0.0 0 0.0 6 31
3 A 26 LEU L + 0 0 -140.7 121.2 -179.5 166.6 22.8 165.7 0 0.0 0 0.0 0 0.0 0 0.0 8 40
4 A 27 ASN N g > > T - 0 0 -137.7 155.6 -180.0 -100.2 51.2 163.5 0 0.0 7 -2.8 0 0.0 8 -0.9 7 31
5 A 28 GLU E G G 4 > TS+ 0 0 -36.1 -43.7 -179.7 63.0 118.6 37.4 0 0.0 8 -0.9 0 0.0 0 0.0 5 27
6 A 29 LYS K G G 4 3 TS+ 0 0 -56.6 -34.8 -179.1 49.6 101.5 35.2 0 0.0 0 0.0 0 0.0 0 0.0 4 20
7 A 30 GLN Q G G 4 < TS+ 0 0 -79.3 -20.6 -179.5 111.6 86.0 45.2 4 -2.8 0 0.0 0 0.0 0 0.0 6 30
8 A 31 LEU L g < < T - 0 0 -56.3 138.5 179.0 -147.7 57.6 103.8 4 -0.9 0 0.0 5 -0.9 0 0.0 8 35
9 A 32 THR T - 0 0 -100.0 176.3 179.2 -118.3 20.0 117.0 0 0.0 0 0.0 0 0.0 0 0.0 7 29
10 A 33 ASP D S S S+ 0 0 -79.5 -52.0 179.4 45.2 107.0 18.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
11 A 34 ASP D S h > > TS- 0 0 -93.7 112.6 -179.9 -145.9 79.6 145.7 0 0.0 14 -3.3 0 0.0 15 -0.8 7 41
12 A 35 PRO P H H > 3 TS+ 0 0 -46.0 -31.0 -179.8 72.0 97.4 34.0 0 0.0 16 -2.1 0 0.0 0 0.0 10 50
13 A 36 ILE I H H > 3 TS+ 0 0 -56.6 -27.9 179.3 56.1 92.3 39.4 0 0.0 17 -2.2 0 0.0 0 0.0 6 46
14 A 37 ASP D H H > < TS+ 0 0 -68.8 -56.1 179.7 45.7 107.1 12.5 11 -3.3 18 -2.5 0 0.0 0 0.0 9 34
15 A 38 LEU L H H X TS+ 0 0 -57.0 -30.7 179.4 56.1 111.7 34.0 11 -0.8 19 -2.3 0 0.0 0 0.0 10 44
16 A 39 PHE F H H X TS+ 0 0 -65.8 -54.8 -179.4 44.7 108.1 11.3 12 -2.1 20 -3.2 0 0.0 0 0.0 8 53
17 A 40 THR T H H X TS+ 0 0 -54.0 -44.4 179.3 53.1 112.5 25.6 13 -2.2 21 -3.5 0 0.0 0 0.0 8 40
18 A 41 LYS K H H X TS+ 0 0 -54.6 -56.8 179.5 40.9 114.5 15.6 14 -2.5 22 -2.1 0 0.0 0 0.0 8 35
19 A 42 TRP W H H X TS+ 0 0 -60.4 -40.1 -179.3 49.7 116.4 31.1 15 -2.3 23 -1.8 0 0.0 0 0.0 8 51
20 A 43 PHE F H H X TS+ 0 0 -67.3 -48.0 179.7 49.7 109.9 18.4 16 -3.2 24 -2.2 0 0.0 0 0.0 9 48
21 A 44 ASN N H H X TS+ 0 0 -57.7 -39.9 179.5 52.9 109.3 26.3 17 -3.5 25 -2.6 0 0.0 0 0.0 8 32
22 A 45 GLU E H H X TS+ 0 0 -61.6 -40.6 179.6 50.9 108.6 25.2 18 -2.1 26 -2.3 0 0.0 0 0.0 8 33
23 A 46 ALA A H H < TS+ 0 0 -64.7 -39.3 177.0 45.8 111.7 31.2 19 -1.8 0 0.0 0 0.0 0 0.0 12 34
24 A 47 LYS K H H < TS+ 0 0 -69.5 -37.8 179.2 51.8 113.2 29.4 20 -2.2 0 0.0 0 0.0 0 0.0 11 30
25 A 48 GLU E H H < TS+ 0 0 -65.1 -39.8 -179.6 83.8 95.3 29.3 21 -2.6 0 0.0 0 0.0 0 0.0 6 20
26 A 49 ASP D h < T - 0 0 -73.3 124.5 -179.7 -157.1 66.7 122.5 22 -2.3 0 0.0 0 0.0 0 0.0 8 24
27 A 50 PRO P S S S+ 0 0 -74.7 -12.1 178.9 68.2 91.2 54.5 0 0.0 0 0.0 0 0.0 0 0.0 7 18
28 A 51 ARG R S S S+ 0 0 -75.3 -35.8 178.6 65.5 91.3 33.2 0 0.0 30 -1.1 0 0.0 0 0.0 5 22
29 A 52 GLU E + 0 0 -92.3 99.9 -178.6 172.2 64.2 142.6 0 0.0 0 0.0 0 0.0 0 0.0 12 26
30 A 53 THR T S S S+ 0 0 -85.0 -13.2 179.6 27.3 74.7 55.8 28 -1.1 0 0.0 0 0.0 0 0.0 7 24
31 A 54 LEU L t > T + 0 0 -147.9 62.6 -179.2 161.7 64.7 111.5 0 0.0 34 -1.8 0 0.0 0 0.0 6 31
32 A 55 PRO P T T 3 TS+ 0 0 -62.1 -12.3 179.5 61.0 72.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 11 40
33 A 56 GLU E T e 3 TS+ 0 0 -91.6 -7.7 179.7 112.9 77.3 55.8 0 0.0 54 -3.6 0 0.0 0 0.0 8 46
34 A 57 ALA A E E AA < T + 53 0 -65.4 134.2 -179.8 165.0 44.1 115.3 31 -1.8 0 0.0 0 0.0 0 0.0 10 39
35 A 58 ILE I E E AA - 52 0 -145.8 167.1 177.1 -115.1 41.1 159.3 52 -3.1 52 -2.6 0 0.0 37 -0.6 12 45
36 A 59 THR T E E AAB - 51 86 -107.6 118.1 180.0 -156.3 27.6 160.1 86 -1.3 86 -1.1 0 0.0 38 -0.8 12 38
37 A 60 PHE F E E AAB - 50 85 -99.5 107.6 -179.6 -169.6 13.4 148.5 50 -3.2 50 -1.2 35 -0.6 0 0.0 12 54
38 A 61 SER S E E AAB + 49 84 -99.6 142.7 179.6 162.0 12.5 138.8 84 -3.2 84 -1.9 36 -0.8 0 0.0 11 52
39 A 62 SER S E E AA - 48 0 -146.3 171.5 179.5 -148.7 19.2 155.0 48 -2.7 48 -2.4 0 0.0 0 0.0 13 46
40 A 63 ALA A E E AA - 47 0 -151.5 145.4 179.7 -115.7 23.1 175.1 0 0.0 42 -0.8 0 0.0 0 0.0 13 34
41 A 64 GLU E E E >AA >T - 46 0 -83.0 112.5 -174.9 -145.5 32.3 136.6 46 -2.5 45 -3.3 0 0.0 46 -0.8 13 28
42 A 65 LEU L T T 4 5TS+ 0 0 -53.6 -44.1 -179.9 45.7 86.5 37.1 40 -0.8 0 0.0 0 0.0 0 0.0 9 25
43 A 66 PRO P T T 4 5TS+ 0 0 -65.7 -62.8 -178.7 28.0 126.3 5.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17
44 A 67 SER S T T 4 5TS- 0 0 -63.0 -36.9 -179.2 -133.4 97.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 5 15
45 A 68 GLY G T T < 5T + 0 0 84.9 26.7 179.1 159.7 45.8 38.9 41 -3.3 0 0.0 0 0.0 0 0.0 7 22
46 A 69 ARG R E E AA TS- 0 0 -71.4 168.8 179.5 -106.8 85.3 97.7 0 0.0 75 -1.9 0 0.0 0 0.0 12 41
72 A 95 ARG R H H > TS+ 0 0 -60.2 -49.4 -179.6 52.8 121.0 19.6 0 0.0 76 -1.6 0 0.0 0 0.0 7 38
73 A 96 LYS K H H > TS+ 0 0 -57.8 -31.7 179.3 54.8 106.5 33.7 0 0.0 77 -2.4 0 0.0 0 0.0 10 51
74 A 97 ALA A H H > TS+ 0 0 -67.3 -44.4 -179.0 49.6 107.1 21.1 0 0.0 78 -2.9 0 0.0 0 0.0 11 49
75 A 98 HIS H H H X TS+ 0 0 -66.9 -25.4 179.4 47.9 112.1 39.5 71 -1.9 79 -0.8 0 0.0 0 0.0 12 41
76 A 99 ASP D H H X > TS+ 0 0 -77.0 -50.6 179.9 45.1 114.5 19.6 72 -1.6 80 -1.3 0 0.0 79 -0.5 13 38
77 A 100 ILE I H H < 3 TS+ 0 0 -57.6 -43.8 -179.1 59.7 106.9 27.7 73 -2.4 0 0.0 0 0.0 0 0.0 14 49
78 A 101 ALA A H H < 3 TS+ 0 0 -55.3 -36.2 -179.7 36.0 115.1 32.5 74 -2.9 0 0.0 0 0.0 0 0.0 7 35
79 A 102 THR T H H < < TS+ 0 0 -92.2 -14.5 -176.1 23.5 133.9 53.8 75 -0.8 0 0.0 76 -0.5 0 0.0 9 30
80 A 103 ASN N h < T - 0 0 -158.5 94.5 -179.8 -153.8 64.0 130.7 76 -1.3 82 -3.0 0 0.0 0 0.0 9 36
81 A 104 PRO P e + 0 0 -70.3 66.0 179.7 103.6 65.0 108.3 0 0.0 102 -0.6 0 0.0 0 0.0 10 40
82 A 105 ASN N E E A E + 0 101 -146.1 143.6 -179.4 160.6 41.1 171.5 80 -3.0 0 0.0 0 0.0 0 0.0 12 48
83 A 106 ALA A E E A E - 0 100 -160.0 165.5 179.1 -149.6 22.3 168.1 100 -2.1 100 -1.8 0 0.0 0 0.0 14 54
84 A 107 ALA A E E ABE - 38 99 -141.9 143.3 177.7 -170.3 9.7 172.7 38 -1.9 38 -3.2 0 0.0 0 0.0 13 54
85 A 108 ILE I E E ABE - 37 98 -136.1 145.3 178.9 -155.8 6.5 171.5 98 -2.4 98 -2.7 0 0.0 0 0.0 11 56
86 A 109 VAL V E E ABE - 36 97 -122.3 141.7 177.2 -158.4 4.5 163.0 36 -1.1 36 -1.3 0 0.0 0 0.0 11 48
87 A 110 PHE F E E A E - 0 96 -113.9 129.7 179.0 -171.8 16.5 165.7 96 -2.4 96 -2.5 0 0.0 0 0.0 12 57
88 A 111 PHE F E E A E - 0 95 -131.3 112.5 179.5 -174.9 14.0 160.5 0 0.0 90 -0.8 0 0.0 0 0.0 10 44
89 A 112 TRP W E E >A E >T - 0 94 -108.0 83.9 -178.2 -171.3 8.0 139.1 94 -3.4 94 -1.8 0 0.0 93 -0.8 11 42
90 A 113 LYS K T T 4 >5TS+ 0 0 -37.6 -56.1 -178.1 41.6 82.6 35.4 88 -0.8 93 -0.6 0 0.0 0 0.0 7 34
91 A 114 ASP D T T 4 35TS+ 0 0 -68.7 -38.4 179.0 48.6 115.3 31.3 0 0.0 0 0.0 0 0.0 0 0.0 7 29
92 A 115 LEU L T T 4 35TS- 0 0 -79.0 -2.8 -179.8 -132.8 106.2 59.4 0 0.0 0 0.0 0 0.0 0 0.0 8 37
93 A 116 GLN Q T e < <5T + 0 0 53.3 36.2 -179.3 132.7 62.1 33.4 89 -0.8 178 -2.9 90 -0.6 0 0.0 11 37
94 A 117 ARG R E E AEF T - 0 0 -48.2 133.9 -179.8 -129.4 38.2 99.7 0 0.0 110 -2.6 0 0.0 0 0.0 7 34
107 A 130 ARG R H H > TS+ 0 0 -59.3 -29.7 178.8 55.9 107.7 37.1 0 0.0 111 -1.9 0 0.0 0 0.0 7 29
108 A 131 GLU E H H > TS+ 0 0 -64.2 -63.2 179.4 42.1 110.2 5.4 0 0.0 112 -3.2 0 0.0 0 0.0 6 23
109 A 132 THR T H H > TS+ 0 0 -49.5 -46.1 179.6 57.6 110.7 28.8 0 0.0 113 -2.7 0 0.0 0 0.0 9 33
110 A 133 SER S H H X TS+ 0 0 -52.2 -49.2 179.0 39.1 113.9 20.2 106 -2.6 114 -1.3 0 0.0 0 0.0 13 38
111 A 134 GLU E H H X TS+ 0 0 -66.3 -46.3 -180.0 58.7 111.6 24.1 107 -1.9 115 -1.9 0 0.0 0 0.0 10 36
112 A 135 ARG R H H X TS+ 0 0 -48.7 -54.3 -178.9 39.0 111.9 22.6 108 -3.2 116 -1.1 0 0.0 0 0.0 8 30
113 A 136 TYR Y H H X TS+ 0 0 -72.2 -25.1 178.4 62.8 108.5 40.6 109 -2.7 117 -1.0 0 0.0 0 0.0 8 38
114 A 137 PHE F H H < TS+ 0 0 -66.9 -33.4 179.5 55.2 100.7 30.3 110 -1.3 0 0.0 0 0.0 0 0.0 10 40
115 A 138 LYS K H H < TS+ 0 0 -64.2 -43.9 -179.6 56.5 101.0 24.5 111 -1.9 0 0.0 0 0.0 0 0.0 11 32
116 A 139 THR T H H < TS+ 0 0 -59.9 -29.1 -180.0 99.5 87.5 38.7 112 -1.1 0 0.0 0 0.0 0 0.0 6 27
117 A 140 ARG R S h < TS- 0 0 -59.0 148.5 -180.0 -89.6 90.0 102.0 113 -1.0 0 0.0 0 0.0 0 0.0 8 30
118 A 141 PRO P h > T - 0 0 -58.4 155.5 -179.2 -114.6 34.0 99.9 0 0.0 122 -3.0 0 0.0 0 0.0 7 22
119 A 142 ARG R H H > TS+ 0 0 -58.9 -45.8 179.1 54.7 117.5 24.5 0 0.0 123 -2.5 0 0.0 0 0.0 7 32
120 A 143 GLY G H H > TS+ 0 0 -55.1 -39.8 179.4 46.4 112.2 25.7 0 0.0 124 -2.1 0 0.0 0 0.0 6 31
121 A 144 SER S H H > TS+ 0 0 -66.1 -55.3 -179.6 54.1 107.6 14.6 0 0.0 125 -2.1 0 0.0 0 0.0 8 37
122 A 145 LYS K H H X TS+ 0 0 -46.8 -43.1 179.7 44.3 113.7 28.1 118 -3.0 126 -1.0 0 0.0 0 0.0 14 44
123 A 146 ILE I H H X TS+ 0 0 -69.9 -42.2 179.9 58.4 107.1 25.6 119 -2.5 127 -2.2 0 0.0 0 0.0 13 43
124 A 147 GLY G H H X TS+ 0 0 -57.0 -32.0 -179.7 61.9 98.2 34.0 120 -2.1 128 -2.4 0 0.0 0 0.0 9 43
125 A 148 ALA A H H < TS+ 0 0 -58.9 -47.8 -179.3 40.9 109.0 19.8 121 -2.1 0 0.0 0 0.0 0 0.0 10 48
126 A 149 TRP W H H < TS+ 0 0 -65.8 -49.5 -178.2 48.2 115.6 22.0 122 -1.0 0 0.0 0 0.0 0 0.0 9 48
127 A 150 ALA A H H < TS+ 0 0 -62.9 -38.6 -178.4 66.6 104.0 32.1 123 -2.2 129 -0.6 0 0.0 0 0.0 11 42
128 A 151 SER S h < T - 0 0 -96.8 118.3 178.2 -162.2 61.3 142.0 124 -2.4 130 -1.5 0 0.0 0 0.0 9 41
129 A 152 ARG R t > T - 0 0 -93.4 79.1 -177.6 -125.3 39.9 133.0 127 -0.6 132 -2.4 0 0.0 0 0.0 9 40
130 A 153 GLN Q T T 3 TS+ 0 0 -32.0 128.9 179.5 2.4 81.8 81.5 128 -1.5 0 0.0 0 0.0 0 0.0 7 39
131 A 154 SER S T T 3 TS+ 0 0 72.3 -6.3 178.8 132.5 95.5 71.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
132 A 155 ASP D t < T - 0 0 -71.0 154.9 178.6 -104.9 64.3 112.2 129 -2.4 0 0.0 0 0.0 0 0.0 7 25
133 A 156 VAL V - 0 0 -83.8 140.4 178.9 -179.0 43.0 129.2 0 0.0 0 0.0 0 0.0 0 0.0 4 17
134 A 157 ILE I - 0 0 -134.6 166.4 -179.0 -121.5 35.8 152.4 0 0.0 0 0.0 0 0.0 0 0.0 6 19
135 A 158 LYS K S S S- 0 0 -73.6 -46.5 -178.5 -57.7 76.2 23.0 0 0.0 0 0.0 0 0.0 0 0.0 6 15
136 A 159 ASN N h > T - 0 0 -175.6 -171.3 178.8 -60.3 65.7 163.1 0 0.0 140 -1.7 0 0.0 0 0.0 6 17
137 A 160 ARG R H H > TS+ 0 0 -56.0 -50.5 -179.5 60.3 125.4 20.3 0 0.0 141 -2.9 0 0.0 0 0.0 6 20
138 A 161 GLU E H H > TS+ 0 0 -44.7 -56.7 179.2 49.3 102.7 23.8 0 0.0 142 -3.4 0 0.0 0 0.0 7 16
139 A 162 GLU E H H > TS+ 0 0 -49.7 -45.1 -179.8 50.2 113.4 22.3 0 0.0 143 -1.8 0 0.0 0 0.0 9 22
140 A 163 LEU L H H X TS+ 0 0 -57.6 -56.6 179.6 42.4 113.0 18.4 136 -1.7 144 -2.1 0 0.0 0 0.0 11 25
141 A 164 ASP D H H X TS+ 0 0 -59.0 -44.8 179.5 60.4 107.9 25.1 137 -2.9 145 -3.6 0 0.0 0 0.0 8 25
142 A 165 GLU E H H X TS+ 0 0 -48.9 -42.8 179.4 44.4 110.1 24.9 138 -3.4 146 -2.6 0 0.0 0 0.0 8 22
143 A 166 LEU L H H X TS+ 0 0 -69.3 -43.8 178.9 49.1 112.9 26.8 139 -1.8 147 -2.5 0 0.0 0 0.0 10 31
144 A 167 THR T H H X TS+ 0 0 -58.3 -59.1 179.7 46.4 114.3 8.3 140 -2.1 148 -3.7 0 0.0 0 0.0 12 30
145 A 168 GLN Q H H X TS+ 0 0 -47.1 -55.4 -179.5 50.6 112.0 23.6 141 -3.6 149 -2.8 0 0.0 0 0.0 8 26
146 A 169 LYS K H H X TS+ 0 0 -52.1 -46.3 179.8 41.3 116.4 25.5 142 -2.6 150 -2.7 0 0.0 0 0.0 9 26
147 A 170 ASN N H H X TS+ 0 0 -70.9 -41.4 179.5 55.0 110.6 27.3 143 -2.5 151 -3.2 0 0.0 0 0.0 12 33
148 A 171 THR T H H < TS+ 0 0 -58.1 -38.3 179.0 39.1 117.5 23.8 144 -3.7 0 0.0 0 0.0 0 0.0 9 29
149 A 172 GLU E H H X > TS+ 0 0 -76.6 -38.0 179.9 58.0 112.1 29.9 145 -2.8 152 -0.8 0 0.0 153 -0.5 8 23
150 A 173 ARG R H H < 3 TS+ 0 0 -58.3 -45.6 -179.5 30.1 118.7 24.1 146 -2.7 0 0.0 0 0.0 0 0.0 7 26
151 A 174 PHE F T h < 3 TS+ 0 0 -98.6 10.4 179.9 106.5 89.9 74.2 147 -3.2 0 0.0 0 0.0 0 0.0 9 27
152 A 175 LYS K T T 4 < TS+ 0 0 -53.8 -46.1 178.5 53.7 78.6 25.2 149 -0.8 154 -1.5 0 0.0 0 0.0 7 23
153 A 176 ASP D S t < TS+ 0 0 -90.7 74.0 -179.5 87.4 97.0 128.0 149 -0.5 0 0.0 0 0.0 0 0.0 6 15
154 A 177 ALA A - 0 0 -175.1 120.6 -179.9 -154.1 58.9 135.7 152 -1.5 0 0.0 0 0.0 0 0.0 6 19
155 A 178 GLU E S S S+ 0 0 -58.2 -80.9 179.9 27.4 88.6 10.2 0 0.0 0 0.0 0 0.0 0 0.0 4 22
156 A 179 ASP D S S S- 0 0 -89.2 130.5 179.4 -133.1 83.2 136.4 0 0.0 0 0.0 0 0.0 0 0.0 5 29
157 A 180 ILE I - 0 0 -83.9 133.7 -179.6 -117.0 26.1 132.2 0 0.0 0 0.0 0 0.0 0 0.0 10 34
158 A 181 PRO P - 0 0 -68.8 155.2 -179.2 -108.5 26.4 104.9 0 0.0 0 0.0 0 0.0 0 0.0 5 37
159 A 182 CYS C - 0 0 -89.5 129.4 180.0 -122.3 29.2 134.7 0 0.0 0 0.0 0 0.0 0 0.0 9 43
160 A 183 PRO P t > T - 0 0 -66.2 151.2 179.5 -125.4 16.8 108.3 0 0.0 163 -0.9 0 0.0 0 0.0 7 40
161 A 184 ASP D T T 3 TS+ 0 0 -63.5 -35.2 -178.3 53.5 110.2 30.4 0 0.0 0 0.0 0 0.0 0 0.0 6 38
162 A 185 TYR Y T e 3 TS+ 0 0 -78.7 -9.1 178.8 77.2 97.4 56.9 0 0.0 68 -2.0 0 0.0 0 0.0 8 42
163 A 186 TRP W E E AD < T + 67 0 -101.7 149.0 179.2 87.2 63.1 140.8 160 -0.9 0 0.0 0 0.0 0 0.0 13 50
164 A 187 GLY G E E AD - 66 0 158.3 -167.2 179.9 -48.5 69.2 168.2 66 -2.1 66 -2.1 0 0.0 0 0.0 14 51
165 A 188 GLY G E E AD - 65 0 -101.6 158.5 178.2 -171.2 34.2 129.7 0 0.0 105 -1.7 0 0.0 0 0.0 14 52
166 A 189 LEU L E E ADF - 64 104 -141.6 144.1 -179.2 -150.4 12.3 168.2 64 -1.6 64 -2.4 0 0.0 0 0.0 12 60
167 A 190 ARG R E E ADF - 63 103 -124.3 147.7 178.4 -142.1 8.1 158.2 103 -4.2 103 -2.5 0 0.0 169 -0.6 13 52
168 A 191 ILE I E E ADF - 62 102 -106.8 121.0 177.8 -150.9 11.9 159.4 62 -2.7 62 -2.4 0 0.0 0 0.0 15 57
169 A 192 VAL V E E A F - 0 101 -91.9 107.8 -179.1 -124.0 31.0 147.9 101 -3.2 101 -1.7 167 -0.6 0 0.0 13 49
170 A 193 PRO P E E A F + 0 100 -59.0 138.2 177.7 164.0 43.3 101.9 0 0.0 0 0.0 0 0.0 0 0.0 12 53
171 A 194 LEU L E E A * S+ 0 0 -124.3 -16.0 179.2 24.8 81.2 66.3 99 -3.2 191 -1.8 0 0.0 0 0.0 14 43
172 A 195 GLU E E E AGF + 190 99 -154.2 128.2 177.8 177.9 61.3 161.1 99 -1.7 99 -2.8 0 0.0 0 0.0 12 48
173 A 196 ILE I E E AGF - 189 98 -132.3 123.9 178.5 -163.3 12.7 174.4 189 -2.0 189 -3.1 0 0.0 0 0.0 13 58
174 A 197 GLU E E E AGF - 188 97 -115.7 134.7 178.8 -159.0 9.4 159.9 97 -2.5 97 -2.2 0 0.0 176 -0.6 11 56
175 A 198 PHE F E E AGF - 187 96 -109.1 113.3 -179.3 -176.4 16.7 159.6 187 -3.3 187 -2.2 0 0.0 0 0.0 12 62
176 A 199 TRP W E E AGF - 186 95 -114.2 131.2 179.6 -176.2 7.0 160.2 95 -2.4 95 -2.1 174 -0.6 0 0.0 11 50
177 A 200 GLN Q E E AGF - 185 94 -130.4 112.9 -178.7 -141.0 18.9 164.9 185 -2.3 185 -2.6 0 0.0 0 0.0 13 45
178 A 201 GLY G e - 0 0 -79.5 147.6 178.7 -167.0 13.0 116.6 93 -2.9 0 0.0 0 0.0 0 0.0 10 33
179 A 202 ARG R t > T - 0 0 -130.5 131.5 179.9 -124.5 32.9 176.2 0 0.0 182 -4.0 0 0.0 0 0.0 10 24
180 A 203 PRO P T T 3 TS+ 0 0 -48.2 -15.8 179.3 74.1 111.5 45.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
181 A 204 SER S T T 3 TS- 0 0 -73.4 -10.5 -179.2 -128.7 106.9 54.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
182 A 205 ARG R S t < TS+ 0 0 76.3 -7.8 178.8 109.8 83.8 72.2 179 -4.0 184 -1.1 0 0.0 0 0.0 7 18
183 A 206 LEU L - 0 0 -95.2 63.5 -179.1 -174.2 57.1 120.9 0 0.0 0 0.0 0 0.0 0 0.0 8 22
184 A 207 HIS H - 0 0 -60.0 153.0 177.8 -109.1 29.2 98.1 182 -1.1 186 -0.6 0 0.0 0 0.0 10 29
185 A 208 ASP D E E AG - 177 0 -85.7 122.0 -179.3 -172.3 39.5 139.8 177 -2.6 177 -2.3 0 0.0 0 0.0 15 36
186 A 209 ARG R E E AG + 176 0 -122.8 126.3 177.2 168.7 11.7 167.2 184 -0.6 203 -1.5 0 0.0 0 0.0 13 40
187 A 210 PHE F E E AGH - 175 202 -134.5 133.2 179.3 -170.7 9.4 179.3 175 -2.2 175 -3.3 0 0.0 0 0.0 11 47
188 A 211 VAL V E E AGH - 174 201 -132.3 125.2 178.8 -154.3 10.1 167.5 201 -2.1 201 -0.8 0 0.0 0 0.0 13 47
189 A 212 TYR Y E E AGH + 173 200 -90.5 138.2 178.3 178.0 25.0 137.9 173 -3.1 173 -2.0 0 0.0 0 0.0 13 45
190 A 213 ARG R E E AGH + 172 199 -148.8 149.9 177.1 173.3 24.1 178.2 199 -1.2 199 -0.9 0 0.0 0 0.0 10 38
191 A 214 ARG R e - 0 0 -149.4 125.6 -179.8 -143.0 28.1 162.0 171 -1.8 0 0.0 0 0.0 0 0.0 12 31
192 A 215 LYS K S S S+ 0 0 -58.2 -31.8 -178.1 27.4 91.8 31.6 0 0.0 0 0.0 0 0.0 0 0.0 6 22
193 A 216 THR T S t > TS- 0 0 -132.7 156.7 179.0 -115.8 82.6 155.5 0 0.0 196 -2.2 0 0.0 0 0.0 6 23
194 A 217 GLU E T T 3 TS+ 0 0 -63.8 -9.2 -179.5 52.6 121.5 52.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
195 A 218 ASN N T T 3 TS+ 0 0 -113.9 19.4 179.3 96.0 89.9 84.8 0 0.0 0 0.0 0 0.0 0 0.0 5 20
196 A 219 ASP D S t < TS- 0 0 -112.9 135.8 179.8 -100.9 84.5 156.5 193 -2.2 0 0.0 0 0.0 0 0.0 7 21
197 A 220 PRO P - 0 0 -54.2 139.2 179.0 -105.2 44.6 104.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
198 A 221 TRP W - 0 0 -61.0 148.8 178.9 -155.6 34.6 106.1 0 0.0 0 0.0 0 0.0 0 0.0 8 35
199 A 222 LYS K E E AH - 190 0 -135.9 121.1 179.8 -151.3 0.3 165.8 190 -0.9 190 -1.2 0 0.0 0 0.0 8 31
200 A 223 VAL V E E AH + 189 0 -94.2 144.8 -178.6 165.0 21.1 133.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
201 A 224 VAL V E E AH - 188 0 -152.4 156.3 -179.8 -115.2 34.9 169.1 188 -0.8 188 -2.1 0 0.0 203 -0.5 7 31
202 A 225 ARG R E E AH - 187 0 -99.2 126.7 180.0 -157.3 29.7 148.0 0 0.0 0 0.0 0 0.0 0 0.0 8 31
203 A 226 LEU L e - 0 0 -106.1 147.0 178.1 -110.9 22.3 142.4 186 -1.5 0 0.0 201 -0.5 0 0.0 8 28
204 A 227 ALA A 0 0 -70.1 138.9 -179.8 999.9 999.9 120.5 0 0.0 0 0.0 0 0.0 0 0.0 4 21
205 A 228 PRO P 0 0 -73.1 999.9 999.9 999.9 999.9 49.7 0 0.0 0 0.0 0 0.0 0 0.0 7 25
1ci0A.pdb
1CI0 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand GGG SSHHHHHHHHHHHHHH SS S TTEEEEEEEETTTTEEEEEEEE EE SSSEEEEEE SSSHHHHHHHH EEEEEEEETTTTEEEEEEE Kabs/Sand
chirality -+-+++--+-++++++++++++++-++++++++---+---++-+-+++-+-------+---+-+-++++-++++++++-++-------++-+----++- chirality
bends SSS SSSSSSSSSSSSSSSS SS S SS SSS SSS S SSSSSSSSSSS SSS bends
turns TTTTT TTTTTTTTTTTTTTTT TTTT TTTTTT TTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< 3-turns
bridge-2 BBB DDDDDD EEEEEEEE FFFFFFF bridge-2
bridge-1 AAAAAAAA AAAAAAAA CC CC BBB EEEEEEE bridge-1
sheets AAAAAAAA AAAAAAAA AA AAAAAA AAAAAAAA AAAAAAA sheets
4-turns >444< >>>>XXXXXXXX<<<< >444< >>>>XX<<<< >444< 4-turns
summary gGGGg ShHHHHHHHHHHHHHHhSS StTeEEEEEEEETTTTEEEEEEEEe EEeSSeEEEEEEeSShHHHHHHHHheEEEEEEEETTTeEEEEEEE summary
sequence FTLNEKQLTDDPIDLFTKWFNEAKEDPRETLPEAITFSSAELPSGRVSSRILLFKELDHRGFTIYSNWGTSRKAHDIATNPNAAIVFFWKDLQRQVRVEG sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEE HHHHHHHHHHS HHHHHHHHH TT S HHHHHHHHHHHHHHTTS SS TTEEEEEEEEEEEEEEE TTS EEEEEE SSTTS EE Kabs/Sand
chirality ------++++++++++--+++++++++--++-----+++++++++++++++++-+-----+++------+++-------+-+---+--++-+-++----+ chirality
bends SSSSSSSSSSS SSSSSSSSS SS S SSSSSSSSSSSSSSSSS SS SS S SSS SSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 FFFF FFFFF*FFFFFF HHHH bridge-2
bridge-1 E DDDDDD GGGGGG GGGGGG HH bridge-1
sheets AAAA AAAAAAAAAAAAAAA AAAAAA AA sheets
4-turns >>>>XXXX<<<<>>>>XXX<<<< >>>>XXXXXXXX