Secondary structure calculation program - copyright by David Keith Smith, 1989
1cc1S.pdb
1CC1 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 275
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 S 6 LYS K 0 0 999.9 141.4 179.5 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 27
2 S 7 LYS K - 0 0 -91.3 144.8 -179.8 -112.7 999.9 128.3 0 0.0 0 0.0 0 0.0 0 0.0 7 33
3 S 8 ALA A E E Aa - 36 0 -75.7 119.2 179.5 -127.4 33.1 128.2 35 -2.2 37 -2.8 0 0.0 0 0.0 10 47
4 S 9 PRO P E E Aa - 37 0 -70.1 133.9 -179.8 -170.4 31.1 125.7 0 0.0 68 -2.8 0 0.0 0 0.0 12 51
5 S 10 VAL V E E Aab - 38 68 -133.5 133.0 175.9 -171.7 22.5 168.7 37 -2.4 39 -1.8 0 0.0 40 -1.1 13 62
6 S 11 ILE I E E Aab - 40 69 -118.8 109.7 -178.7 -162.4 19.2 173.1 68 -2.3 70 -2.8 0 0.0 8 -0.6 13 60
7 S 12 TRP W E E A b - 0 70 -101.3 115.5 179.9 -173.9 8.9 154.8 40 -3.2 0 0.0 0 0.0 0 0.0 13 67
8 S 13 VAL V E E A b - 0 71 -113.1 144.4 179.7 -151.9 10.7 147.4 70 -3.0 72 -2.7 6 -0.6 0 0.0 11 68
9 S 14 GLN Q E E A b + 0 72 -117.6 131.1 178.8 159.7 21.8 161.5 0 0.0 0 0.0 0 0.0 0 0.0 12 65
10 S 15 GLY G S e S- 0 0 -110.7 -116.9 178.1 -9.1 76.8 73.5 72 -2.8 12 -2.0 0 0.0 0 0.0 12 64
11 S 16 GLN Q B B A S+ 74 0 -84.7 68.1 179.7 132.9 100.7 120.0 74 -2.9 74 -1.5 0 0.0 0 0.0 12 60
12 S 17 GLY G - 0 0 -114.5 171.4 179.3 -141.5 59.9 131.7 10 -2.0 0 0.0 0 0.0 0 0.0 10 53
13 S 18 CYS C - 0 0 -110.5 0.6 -179.3 -114.5 47.1 66.0 0 0.0 0 0.0 0 0.0 0 0.0 6 37
14 S 19 THR T S h > TS+ 0 0 76.7 4.6 179.0 120.3 85.8 67.4 0 0.0 18 -2.2 0 0.0 0 0.0 8 41
15 S 20 GLY G H H > T + 0 0 -67.2 -32.4 178.9 53.8 68.4 38.7 0 0.0 19 -1.8 0 0.0 0 0.0 9 46
16 S 21 CYS C H H > TS+ 0 0 -68.4 -42.1 178.1 47.6 110.4 24.6 0 0.0 20 -1.6 0 0.0 0 0.0 13 54
17 S 22 SER S H H > TS+ 0 0 -62.8 -47.9 179.3 48.0 112.7 25.5 0 0.0 21 -1.5 0 0.0 0 0.0 8 54
18 S 23 VAL V H H X TS+ 0 0 -62.8 -37.4 179.6 54.9 108.6 29.4 14 -2.2 22 -0.7 0 0.0 0 0.0 8 41
19 S 24 SER S H H < > TS+ 0 0 -64.9 -33.7 178.2 52.1 106.2 28.6 15 -1.8 22 -0.7 0 0.0 0 0.0 12 43
20 S 25 LEU L H H < > TS+ 0 0 -67.9 -35.8 179.6 61.2 100.9 29.6 16 -1.6 23 -2.0 0 0.0 0 0.0 12 53
21 S 26 LEU L H H < 3 TS+ 0 0 -63.4 -20.8 179.3 59.9 98.2 44.5 17 -1.5 0 0.0 0 0.0 0 0.0 9 40
22 S 27 ASN N T h < < TS+ 0 0 -87.8 1.8 -178.3 134.0 79.0 67.9 19 -0.7 0 0.0 18 -0.7 0 0.0 10 34
23 S 28 ALA A t <>T + 0 0 -56.8 146.4 178.7 176.7 29.8 97.0 20 -2.0 28 -0.7 0 0.0 0 0.0 12 40
24 S 29 VAL V T T >5T + 0 0 -126.4 -10.5 179.6 87.8 60.1 61.8 0 0.0 27 -0.5 0 0.0 0 0.0 9 32
25 S 30 HIS H T T 35TS- 0 0 -124.9 76.8 -0.7 -11.7 128.7 137.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
26 S 31 PRO P T T 35TS- 0 0 -89.2 179.2 178.5 -113.7 102.7 40.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30
27 S 32 ARG R T h > X5T - 0 0 -73.8 159.2 -178.1 -100.0 34.0 112.1 24 -0.5 31 -1.9 0 0.0 30 -0.7 10 29
28 S 33 ILE I H H > 3 3 TS+ 0 0 -62.5 -40.9 178.5 43.4 111.1 21.7 0 0.0 33 -2.3 0 0.0 0 0.0 6 25
30 S 35 GLU E H H > <>TS+ 0 0 -70.7 -36.4 178.8 55.5 110.9 29.9 27 -0.7 34 -2.9 0 0.0 35 -1.1 9 26
31 S 36 ILE I H H X >TS+ 0 0 -59.4 -51.6 -179.7 38.4 115.0 15.8 27 -1.9 36 -2.7 0 0.0 35 -1.2 10 40
32 S 37 LEU L H H < 5TS+ 0 0 -68.1 -39.2 -178.4 35.4 126.3 33.0 28 -2.5 0 0.0 0 0.0 0 0.0 10 39
33 S 38 LEU L H H < 5TS+ 0 0 -90.1 -25.7 -178.6 16.7 135.0 38.9 29 -2.3 0 0.0 0 0.0 0 0.0 8 25
34 S 39 ASP D H H < 5TS+ 0 0 -119.3 -26.4 -175.1 38.0 125.6 48.8 30 -2.9 0 0.0 0 0.0 0 0.0 8 26
35 S 40 VAL V T h < > T - 0 0 -159.8 110.0 -179.3 -147.9 34.8 137.4 0 0.0 45 -2.3 0 0.0 44 -0.7 10 52
42 S 47 PRO P T T 4 3 TS+ 0 0 -53.6 -30.5 -177.8 54.8 93.7 42.4 0 0.0 0 0.0 0 0.0 0 0.0 8 45
43 S 48 THR T T T 4 3 TS+ 0 0 -76.9 -35.1 -176.2 16.1 123.2 31.2 0 0.0 0 0.0 0 0.0 0 0.0 4 38
44 S 49 VAL V T T 4 < TS+ 0 0 -117.3 -15.3 -177.5 115.2 89.5 53.8 41 -0.7 0 0.0 0 0.0 0 0.0 5 33
45 S 50 MET M t < T - 0 0 -65.4 147.7 -179.2 -134.6 59.3 104.7 41 -2.3 0 0.0 0 0.0 0 0.0 8 30
46 S 51 ALA A S S S+ 0 0 -64.9 -49.9 -178.8 68.4 82.5 21.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
47 S 52 SER S - 0 0 -74.0 162.7 -178.4 -164.5 64.6 101.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
48 S 53 GLU E h > > T - 0 0 -140.8 170.0 178.2 -9.0 43.2 154.8 0 0.0 52 -1.2 0 0.0 51 -1.1 8 24
49 S 54 GLY G H H > 3 TS+ 0 0 44.8 -125.0 -179.7 1.4 125.9 94.3 0 0.0 53 -2.5 0 0.0 0 0.0 8 31
50 S 55 GLU E H H > 3 TS+ 0 0 -61.4 -39.0 178.8 53.2 134.6 28.1 0 0.0 54 -2.8 0 0.0 0 0.0 9 28
51 S 56 MET M H H > < TS+ 0 0 -63.3 -40.6 179.7 46.1 111.7 25.9 48 -1.1 55 -1.7 0 0.0 0 0.0 8 24
52 S 57 ALA A H H X TS+ 0 0 -67.5 -46.4 -179.9 44.3 116.2 22.0 48 -1.2 56 -2.1 0 0.0 0 0.0 10 34
53 S 58 LEU L H H X TS+ 0 0 -65.7 -41.4 178.9 50.9 113.1 26.7 49 -2.5 57 -2.7 0 0.0 0 0.0 11 46
54 S 59 ALA A H H X TS+ 0 0 -65.0 -37.9 178.7 50.7 109.7 30.5 50 -2.8 58 -2.0 0 0.0 0 0.0 8 36
55 S 60 HIS H H H X TS+ 0 0 -66.8 -42.4 178.9 49.3 110.9 20.5 51 -1.7 59 -2.7 0 0.0 0 0.0 10 37
56 S 61 MET M H H X TS+ 0 0 -60.5 -49.6 179.4 44.0 114.3 19.7 52 -2.1 60 -2.6 0 0.0 0 0.0 11 53
57 S 62 TYR Y H H X TS+ 0 0 -65.5 -30.6 179.3 55.2 111.9 34.6 53 -2.7 61 -1.4 0 0.0 0 0.0 8 49
58 S 63 GLU E H H X TS+ 0 0 -67.5 -44.9 179.4 43.8 110.7 19.9 54 -2.0 62 -2.6 0 0.0 0 0.0 8 33
59 S 64 ILE I H H X TS+ 0 0 -66.3 -40.9 179.9 59.4 108.0 25.6 55 -2.7 63 -3.1 0 0.0 0 0.0 10 42
60 S 65 ALA A H H < TS+ 0 0 -58.6 -34.2 178.5 36.8 114.3 31.5 56 -2.6 0 0.0 0 0.0 0 0.0 12 41
61 S 66 GLU E H H < > TS+ 0 0 -83.7 -51.6 178.4 45.0 119.5 17.4 57 -1.4 64 -1.8 0 0.0 0 0.0 8 29
62 S 67 LYS K H H < 3 TS+ 0 0 -57.8 -37.6 179.7 33.9 126.4 33.0 58 -2.6 0 0.0 0 0.0 0 0.0 6 26
63 S 68 PHE F T h < > TS+ 0 0 -106.6 24.8 179.2 160.2 85.9 87.2 59 -3.1 66 -4.0 0 0.0 0 0.0 9 35
64 S 69 ASN N T T < TS+ 0 0 -48.8 124.4 -179.0 8.9 76.8 101.6 61 -1.8 0 0.0 0 0.0 0 0.0 11 29
65 S 70 GLY G T T 3 TS+ 0 0 79.0 -0.3 179.6 79.0 121.0 61.7 108 -4.1 0 0.0 0 0.0 0 0.0 7 35
66 S 71 ASN N S t < TS+ 0 0 -134.1 44.8 176.8 76.1 71.9 99.5 63 -4.0 0 0.0 0 0.0 0 0.0 9 44
67 S 72 PHE F S e S- 0 0 -147.8 150.3 178.8 -121.9 71.5 168.9 0 0.0 110 -3.0 0 0.0 111 -0.8 14 55
68 S 73 PHE F E E Abc - 5 111 -94.7 131.5 176.8 -145.4 19.7 147.1 4 -2.8 6 -2.3 0 0.0 70 -0.8 13 63
69 S 74 LEU L E E Abc - 6 112 -95.9 110.8 177.7 -163.0 16.5 153.5 111 -2.3 113 -2.7 0 0.0 71 -0.5 15 67
70 S 75 LEU L E E Abc - 7 113 -97.8 128.9 -178.3 -159.2 2.3 150.2 6 -2.8 8 -3.0 68 -0.8 0 0.0 12 78
71 S 76 VAL V E E Abc - 8 114 -113.3 124.7 178.3 -176.6 10.6 161.2 113 -2.5 115 -1.8 69 -0.5 0 0.0 13 82
72 S 77 GLU E E E Ab + 9 0 -118.2 124.9 -179.0 15.5 57.5 170.0 8 -2.7 10 -2.8 0 0.0 0 0.0 18 68
73 S 78 GLY G S S S- 0 0 96.2 156.0 179.8 -70.9 89.5 87.7 0 0.0 0 0.0 0 0.0 0 0.0 13 68
74 S 79 ALA A B B A - 11 0 -79.6 169.9 -179.7 -115.3 41.4 102.8 11 -1.5 11 -2.9 0 0.0 0 0.0 18 68
75 S 80 ILE I E E BD - 135 0 -113.2 111.9 179.9 -150.6 21.9 159.0 135 -3.3 135 -2.8 0 0.0 77 -0.5 18 64
76 S 81 PRO P E E BD + 134 0 -85.8 119.8 -178.3 175.3 17.7 135.8 0 0.0 0 0.0 0 0.0 0 0.0 15 54
77 S 82 THR T e > T + 0 0 -99.2 -13.1 179.6 103.3 44.9 55.7 133 -1.9 80 -0.6 75 -0.5 0 0.0 13 42
78 S 83 ALA A G G >>TS+ 0 0 -69.7 156.2 178.4 21.7 82.1 106.2 132 -1.9 81 -1.2 0 0.0 83 -0.5 11 29
79 S 84 LYS K G G >5TS- 0 0 53.0 43.7 179.4 -59.2 137.7 30.2 0 0.0 82 -1.7 0 0.0 0 0.0 7 22
80 S 85 GLU E G G <5TS- 0 0 57.1 34.3 -179.4 -60.6 97.1 39.6 77 -0.6 0 0.0 0 0.0 0 0.0 5 28
81 S 86 GLY G G G X5TS+ 0 0 71.9 12.8 -179.0 135.1 100.0 56.1 78 -1.2 84 -1.3 0 0.0 98 -0.5 13 41
82 S 87 ARG R T g <5T + 0 0 -72.5 -2.2 178.1 79.7 50.3 64.9 79 -1.7 0 0.0 0 0.0 0 0.0 10 30
83 S 88 TYR Y T T 3CE T - 85 0 -90.1 161.6 179.7 -112.1 29.5 123.7 95 -0.5 101 -2.5 0 0.0 0 0.0 13 41
98 S 106 MET M H H > TS+ 0 0 -60.2 -38.4 178.3 58.0 119.9 28.5 84 -2.1 102 -2.5 81 -0.5 0 0.0 14 55
99 S 107 MET M H H > TS+ 0 0 -54.7 -50.5 179.7 44.4 108.6 23.0 0 0.0 103 -2.2 0 0.0 0 0.0 10 52
100 S 108 GLU E H H > TS+ 0 0 -62.1 -48.5 -178.9 51.6 112.2 21.7 0 0.0 104 -2.1 0 0.0 0 0.0 8 45
101 S 109 LEU L H H X TS+ 0 0 -58.8 -46.4 -179.3 43.1 113.6 23.5 97 -2.5 105 -2.8 0 0.0 0 0.0 10 60
102 S 110 ILE I H H X TS+ 0 0 -67.8 -41.1 -179.8 53.2 112.1 23.0 98 -2.5 106 -2.5 0 0.0 0 0.0 8 67
103 S 111 ARG R H H < TS+ 0 0 -59.8 -36.0 -178.7 41.6 116.4 31.1 99 -2.2 0 0.0 0 0.0 0 0.0 10 47
104 S 112 ASP D H H < TS+ 0 0 -75.2 -57.8 -178.0 33.2 123.2 16.9 100 -2.1 0 0.0 0 0.0 0 0.0 8 49
105 S 113 LEU L H H X > TS+ 0 0 -72.0 -43.3 -178.5 68.1 103.8 33.9 101 -2.8 108 -1.1 0 0.0 109 -0.8 10 59
106 S 114 ALA A G h < > TS+ 0 0 -50.4 -43.6 179.4 52.6 98.6 30.4 102 -2.5 109 -0.8 0 0.0 0 0.0 12 56
107 S 115 PRO P G G 4 3 TS+ 0 0 -65.9 -23.5 179.9 48.7 111.1 39.4 0 0.0 0 0.0 0 0.0 0 0.0 9 42
108 S 116 LYS K G G 4 < TS+ 0 0 -90.3 -11.0 -179.0 99.2 94.0 58.3 105 -1.1 65 -4.1 0 0.0 0 0.0 11 38
109 S 117 SER S S g < < TS- 0 0 -77.7 161.4 178.1 -132.4 75.7 109.1 106 -0.8 0 0.0 105 -0.8 0 0.0 14 49
110 S 118 LEU L S S S- 0 0 -74.6 -40.1 177.8 -25.3 92.4 27.4 67 -3.0 0 0.0 0 0.0 0 0.0 11 48
111 S 119 ALA A E E Ac - 68 0 -167.5 156.7 177.9 -121.5 63.6 163.6 67 -0.8 69 -2.3 0 0.0 0 0.0 12 56
112 S 120 THR T E E Acf - 69 150 -108.8 133.9 178.7 -163.0 20.7 155.2 149 -2.4 151 -2.4 0 0.0 114 -0.5 14 66
113 S 121 VAL V E E Acf - 70 151 -119.6 113.0 178.5 -156.0 5.7 170.9 69 -2.7 71 -2.5 0 0.0 115 -0.9 12 75
114 S 122 ALA A E E Acf - 71 152 -90.4 103.8 178.7 -164.2 13.9 147.2 151 -2.5 153 -2.9 112 -0.5 0 0.0 15 75
115 S 123 VAL V E E A f + 0 153 -92.5 130.3 -179.5 24.8 52.6 143.6 71 -1.8 0 0.0 113 -0.9 0 0.0 17 72
116 S 124 GLY G S h > TS- 0 0 99.4 150.5 179.8 -89.6 90.5 85.0 153 -2.8 120 -2.4 0 0.0 0 0.0 17 71
117 S 125 THR T H H > >TS+ 0 0 -63.9 -27.6 178.0 64.2 121.2 36.2 155 -1.8 121 -2.6 0 0.0 122 -0.9 19 69
118 S 126 CYS C H H > 5TS+ 0 0 -59.6 -60.8 -179.6 29.7 112.2 15.9 0 0.0 122 -1.6 0 0.0 0 0.0 19 63
119 S 127 SER S H H 4 5TS+ 0 0 -69.8 -36.7 -178.6 49.2 124.7 29.4 0 0.0 137 -3.7 0 0.0 0 0.0 17 71
120 S 128 ALA A H H < 5TS- 0 0 -70.1 -47.9 -176.1 -3.1 137.4 17.1 116 -2.4 138 -0.5 0 0.0 0 0.0 17 67
121 S 129 TYR Y H H < 5TS- 0 0 -128.8 -0.2 -179.3 -100.8 98.0 67.2 117 -2.6 0 0.0 0 0.0 0 0.0 13 60
122 S 130 GLY G h X T - 0 0 54.5 -144.7 -178.1 -11.9 56.7 92.2 0 0.0 126 -0.6 0 0.0 0 0.0 15 59
124 S 132 ILE I G G 4 > TS+ 0 0 -60.1 -45.4 179.9 54.3 133.3 28.5 0 0.0 127 -1.7 0 0.0 0 0.0 8 51
125 S 133 PRO P G G 4 3 TS+ 0 0 -61.9 -26.6 -179.5 45.5 113.7 38.0 0 0.0 0 0.0 0 0.0 0 0.0 10 47
126 S 134 ALA A G G < < TS+ 0 0 -97.9 6.2 180.0 116.3 91.9 71.0 122 -1.0 0 0.0 123 -0.6 0 0.0 13 47
127 S 135 ALA A S g X TS- 0 0 -75.2 162.5 179.6 -65.5 81.3 105.0 124 -1.7 130 -2.0 0 0.0 0 0.0 10 37
128 S 136 GLU E T T 3 TS+ 0 0 -45.6 129.2 -179.5 34.8 121.4 98.7 0 0.0 0 0.0 0 0.0 0 0.0 5 25
129 S 137 GLY G T T 3 TS+ 0 0 108.1 -19.1 179.3 125.4 83.2 80.9 0 0.0 0 0.0 0 0.0 0 0.0 4 18
130 S 138 ASN N t < T - 0 0 -73.5 149.4 178.5 -171.6 37.7 114.2 127 -2.0 0 0.0 0 0.0 0 0.0 9 27
131 S 139 VAL V + 0 0 -124.2 18.9 -178.6 89.5 65.6 81.4 0 0.0 0 0.0 0 0.0 0 0.0 6 25
132 S 140 THR T S S S- 0 0 -96.0 -1.4 -179.5 -119.7 94.6 61.9 0 0.0 78 -1.9 0 0.0 0 0.0 10 35
133 S 141 GLY G e - 0 0 64.3 34.3 -178.9 -163.8 42.5 27.3 0 0.0 77 -1.9 0 0.0 0 0.0 10 38
134 S 142 SER S E E BD - 76 0 -57.2 125.8 -179.4 -170.4 8.3 109.8 0 0.0 0 0.0 0 0.0 0 0.0 14 50
135 S 143 LYS K E E BD - 75 0 -125.9 150.6 177.3 -123.7 22.3 156.5 75 -2.8 75 -3.3 0 0.0 0 0.0 14 58
136 S 144 SER S h > T - 0 0 -77.6 166.2 179.3 -110.0 36.2 110.2 0 0.0 140 -1.9 0 0.0 0 0.0 13 68
137 S 145 VAL V H H > TS+ 0 0 -67.3 -38.7 -179.2 53.3 118.2 24.0 119 -3.7 141 -2.9 0 0.0 0 0.0 13 67
138 S 146 ARG R H H > TS+ 0 0 -64.9 -38.7 178.7 46.6 109.9 27.9 120 -0.5 142 -2.0 0 0.0 0 0.0 9 53
139 S 147 ASP D H H > TS+ 0 0 -70.4 -36.1 178.9 49.5 113.4 28.5 0 0.0 143 -2.3 0 0.0 0 0.0 8 44
140 S 148 PHE F H H X TS+ 0 0 -67.9 -40.8 179.0 53.3 108.6 22.7 136 -1.9 144 -2.7 0 0.0 0 0.0 10 51
141 S 149 PHE F H H X >TS+ 0 0 -58.3 -46.1 179.3 47.4 110.3 24.1 137 -2.9 146 -3.0 0 0.0 145 -0.9 10 45
142 S 150 ALA A H H < >5TS+ 0 0 -61.6 -49.7 -179.8 47.0 113.4 15.4 138 -2.0 145 -1.0 0 0.0 0 0.0 8 27
143 S 151 ASP D H H < 35TS+ 0 0 -58.5 -41.2 -178.4 42.4 118.4 31.5 139 -2.3 0 0.0 0 0.0 0 0.0 7 26
144 S 152 GLU E H H < 35TS- 0 0 -83.0 -9.2 -178.8 -124.5 108.7 60.1 140 -2.7 0 0.0 0 0.0 0 0.0 7 29
145 S 153 LYS K T h < <5T + 0 0 65.1 36.4 179.0 169.2 48.4 28.8 142 -1.0 147 -0.5 141 -0.9 0 0.0 6 22
146 S 154 ILE I t > T - 0 0 -70.4 142.2 179.9 -120.0 30.6 120.0 0 0.0 163 -1.5 0 0.0 162 -0.8 10 61
160 S 168 PRO P H H > 3 TS+ 0 0 -55.0 -33.4 179.6 61.6 111.2 29.2 0 0.0 164 -3.0 0 0.0 0 0.0 12 58
161 S 169 ASP D H H > 3 TS+ 0 0 -61.2 -36.5 179.2 50.3 103.2 31.0 0 0.0 165 -2.4 0 0.0 0 0.0 9 55
162 S 170 TRP W H H > < TS+ 0 0 -67.1 -44.5 -179.6 42.5 115.3 24.8 159 -0.8 166 -1.9 0 0.0 0 0.0 10 66
163 S 171 MET M H H X TS+ 0 0 -66.2 -54.7 -179.4 38.8 121.2 15.0 159 -1.5 167 -2.3 0 0.0 0 0.0 12 72
164 S 172 VAL V H H X TS+ 0 0 -62.4 -46.9 -179.7 50.8 117.4 19.9 160 -3.0 168 -3.0 0 0.0 0 0.0 11 61
165 S 173 GLY G H H X TS+ 0 0 -59.5 -43.3 179.4 47.5 110.9 28.5 161 -2.4 169 -2.1 0 0.0 0 0.0 8 53
166 S 174 THR T H H X TS+ 0 0 -64.5 -47.5 -179.6 45.8 115.1 17.5 162 -1.9 170 -2.4 0 0.0 0 0.0 11 59
167 S 175 LEU L H H X TS+ 0 0 -65.2 -40.7 178.4 49.4 112.4 29.6 163 -2.3 171 -2.3 0 0.0 0 0.0 8 67
168 S 176 VAL V H H X TS+ 0 0 -64.3 -44.1 179.5 48.2 113.0 20.4 164 -3.0 172 -2.3 0 0.0 0 0.0 9 56
169 S 177 ALA A H H X TS+ 0 0 -61.7 -42.1 -179.9 47.8 113.4 22.9 165 -2.1 173 -1.2 0 0.0 0 0.0 12 44
170 S 178 ALA A H H X TS+ 0 0 -66.7 -40.5 179.6 49.1 111.9 30.0 166 -2.4 174 -1.8 0 0.0 0 0.0 11 54
171 S 179 TRP W H H X TS+ 0 0 -67.5 -39.9 179.3 52.8 108.4 28.8 167 -2.3 175 -2.5 0 0.0 0 0.0 9 45
172 S 180 SER S H H X TS+ 0 0 -64.1 -33.3 -179.6 51.0 109.6 37.4 168 -2.3 176 -2.0 0 0.0 0 0.0 10 32
173 S 181 HIS H H H < TS+ 0 0 -71.4 -41.1 179.6 50.0 108.4 25.8 169 -1.2 0 0.0 0 0.0 0 0.0 13 29
174 S 182 VAL V H H < TS+ 0 0 -62.4 -41.7 -179.5 48.0 113.4 21.6 170 -1.8 0 0.0 0 0.0 0 0.0 7 35
175 S 183 LEU L H H < TS+ 0 0 -65.7 -43.2 -178.3 5.3 136.3 25.7 171 -2.5 0 0.0 0 0.0 0 0.0 6 27
176 S 184 ASN N S h X > TS+ 0 0 -146.0 78.7 -179.5 176.5 70.6 128.8 172 -2.0 180 -2.3 0 0.0 179 -1.3 8 19
177 S 185 PRO P T T 4 3 TS+ 0 0 -56.8 -34.9 -179.8 56.2 76.7 39.0 0 0.0 0 0.0 0 0.0 0 0.0 9 17
178 S 186 THR T T T 4 3 TS+ 0 0 -75.7 -12.4 -178.3 32.8 118.8 48.6 0 0.0 0 0.0 0 0.0 0 0.0 6 14
179 S 187 GLU E T T 4 < TS+ 0 0 -113.6 -27.1 -180.0 51.1 117.5 45.7 176 -1.3 0 0.0 0 0.0 0 0.0 6 15
180 S 188 HIS H S t < TS- 0 0 -120.0 108.0 -179.7 -150.5 76.0 156.3 176 -2.3 0 0.0 0 0.0 0 0.0 9 19
181 S 189 PRO P - 0 0 -75.6 154.0 178.7 -105.9 21.8 107.1 0 0.0 0 0.0 0 0.0 0 0.0 9 24
182 S 190 LEU L - 0 0 -74.5 152.5 179.2 -85.6 50.9 112.0 0 0.0 0 0.0 0 0.0 0 0.0 7 40
183 S 191 PRO P - 0 0 -59.5 134.8 179.2 -113.9 49.0 116.4 0 0.0 0 0.0 0 0.0 0 0.0 10 42
184 S 192 GLU E - 0 0 -73.6 127.8 -177.7 -146.8 37.3 128.1 0 0.0 192 -2.7 0 0.0 0 0.0 7 32
185 S 193 LEU L B B B - 191 0 -103.3 151.2 177.0 -135.3 4.2 137.9 0 0.0 0 0.0 0 0.0 0 0.0 10 35
186 S 194 ASP D t > T - 0 0 -84.2 -174.0 -179.7 -81.9 48.1 98.5 190 -2.8 189 -1.8 0 0.0 0 0.0 9 31
187 S 195 ASP D T T 3 TS+ 0 0 -65.5 -19.0 178.6 55.9 131.3 44.2 0 0.0 0 0.0 0 0.0 0 0.0 5 27
188 S 196 ASP D T T 3 TS- 0 0 -97.7 20.0 177.9 -109.3 119.9 81.5 0 0.0 0 0.0 0 0.0 0 0.0 7 43
189 S 197 GLY G S t < TS+ 0 0 66.4 13.5 179.8 131.5 76.3 53.8 186 -1.8 152 -2.7 0 0.0 0 0.0 9 48
190 S 198 ARG R - 0 0 -100.5 145.9 179.3 -92.3 66.6 138.0 0 0.0 186 -2.8 0 0.0 0 0.0 12 58
191 S 199 PRO P B h > B > T - 185 0 -58.8 118.0 178.8 -152.3 20.3 112.9 0 0.0 195 -2.8 0 0.0 194 -1.3 15 50
192 S 200 LEU L H H > 3 TS+ 0 0 -59.3 -25.5 179.1 74.7 92.6 37.7 184 -2.7 196 -1.7 0 0.0 0 0.0 11 38
193 S 201 LEU L H H 4 3 TS+ 0 0 -55.0 -41.3 -177.9 14.6 117.0 27.7 0 0.0 0 0.0 0 0.0 0 0.0 7 43
194 S 202 PHE F H H 4 < TS+ 0 0 -109.6 -21.6 -177.3 40.9 135.8 48.8 191 -1.3 237 -1.0 0 0.0 0 0.0 9 52
195 S 203 PHE F H H < TS+ 0 0 -117.2 19.0 179.5 89.2 86.6 79.6 191 -2.8 0 0.0 0 0.0 0 0.0 11 55
196 S 204 GLY G S h < TS+ 0 0 -82.6 -35.8 -179.6 81.7 72.3 33.7 192 -1.7 0 0.0 0 0.0 0 0.0 11 39
197 S 205 ASP D S S S- 0 0 -73.4 146.2 176.4 -131.0 75.8 115.5 0 0.0 236 -0.9 0 0.0 0 0.0 11 34
198 S 206 ASN N B B > C T - 235 0 -95.6 131.8 -179.6 -141.6 13.2 143.7 0 0.0 202 -1.5 0 0.0 0 0.0 14 38
199 S 207 ILE I T T 4 TS+ 0 0 -56.2 -54.0 -178.0 49.8 99.3 18.6 234 -2.7 0 0.0 0 0.0 0 0.0 15 49
200 S 208 HIS H T T 4 > TS+ 0 0 -55.4 -45.6 -179.5 51.5 108.5 24.1 231 -1.3 203 -1.5 0 0.0 0 0.0 10 45
201 S 209 GLU E T T 4 3 TS+ 0 0 -63.2 -30.7 -179.4 38.5 118.8 31.7 0 0.0 0 0.0 0 0.0 0 0.0 8 32
202 S 210 ASN N T T < 3 TS+ 0 0 -103.2 10.4 -178.7 124.4 91.5 76.2 198 -1.5 0 0.0 0 0.0 0 0.0 10 36
203 S 211 CYS C t X T - 0 0 -79.2 139.2 179.7 -141.3 60.5 120.9 200 -1.5 206 -1.4 0 0.0 0 0.0 8 43
204 S 212 PRO P T T 3 TS+ 0 0 -69.4 -15.4 179.4 57.9 103.6 47.4 0 0.0 0 0.0 0 0.0 0 0.0 6 39
205 S 213 TYR Y T h > > TS+ 0 0 -92.1 -0.6 -178.7 103.7 75.1 66.6 0 0.0 209 -2.3 0 0.0 208 -0.6 8 41
206 S 214 LEU L H H > < TS+ 0 0 -51.8 -39.6 179.5 52.7 76.7 34.3 203 -1.4 210 -2.8 0 0.0 0 0.0 11 34
207 S 215 ASP D H H > 3 TS+ 0 0 -67.3 -34.5 178.4 49.3 109.3 30.5 0 0.0 211 -1.0 0 0.0 0 0.0 7 22
208 S 216 LYS K H H 4 X>TS+ 0 0 -68.5 -40.5 179.0 50.9 111.5 20.7 205 -0.6 213 -2.6 0 0.0 211 -0.5 11 27
209 S 217 TYR Y H H < >5TS+ 0 0 -59.1 -51.7 -178.7 49.9 108.6 19.0 205 -2.3 212 -2.1 0 0.0 0 0.0 12 34
210 S 218 ASP D H H < 35TS+ 0 0 -63.7 -19.6 179.1 50.0 111.7 43.9 206 -2.8 0 0.0 0 0.0 0 0.0 7 21
211 S 219 ASN N T h < <5TS- 0 0 -104.6 17.0 178.2 -114.4 116.0 80.2 207 -1.0 0 0.0 208 -0.5 0 0.0 6 18
212 S 220 SER S T T <5T + 0 0 55.4 39.8 178.9 147.5 64.7 32.8 209 -2.1 214 -0.8 0 0.0 0 0.0 6 19
213 S 221 GLU E t TS- 0 0 -146.4 161.6 178.7 -103.4 89.6 153.6 0 0.0 220 -1.5 0 0.0 0 0.0 6 24
218 S 226 PHE F T T 3 TS+ 0 0 -57.4 -34.1 -178.8 45.7 123.3 32.3 0 0.0 0 0.0 0 0.0 0 0.0 8 28
219 S 227 THR T T T 3 TS+ 0 0 -99.2 19.5 178.1 89.0 96.0 81.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
220 S 228 LYS K S t < TS- 0 0 -112.9 151.3 -180.0 -98.3 83.5 146.9 217 -1.5 0 0.0 0 0.0 0 0.0 7 21
221 S 229 PRO P S S S+ 0 0 -68.9 155.3 179.6 59.7 72.8 102.6 0 0.0 0 0.0 0 0.0 0 0.0 6 27
222 S 230 GLY G S S S- 0 0 119.6 172.1 178.5 -32.5 87.6 118.6 0 0.0 0 0.0 0 0.0 0 0.0 10 32
223 S 231 CYS C B B d - 214 0 -61.9 148.8 -177.7 -132.7 49.7 106.2 213 -2.5 215 -2.6 0 0.0 0 0.0 12 45
224 S 232 LYS K S g >>TS+ 0 0 -89.8 6.5 -179.8 112.0 73.8 72.8 0 0.0 229 -1.6 0 0.0 227 -1.3 13 49
225 S 233 ALA A G G >5TS+ 0 0 -45.5 -52.8 179.9 47.8 78.5 26.3 0 0.0 228 -1.6 0 0.0 0 0.0 13 51
226 S 234 GLU E G G 35TS+ 0 0 -65.3 -21.9 -179.1 63.2 102.8 46.9 0 0.0 0 0.0 0 0.0 0 0.0 11 41
227 S 235 LEU L G G <5TS- 0 0 -81.8 -4.7 179.7 -87.3 130.8 57.4 224 -1.3 0 0.0 0 0.0 0 0.0 13 39
228 S 236 GLY G T g <5T + 0 0 113.7 5.4 -179.1 172.4 64.4 61.2 225 -1.6 0 0.0 0 0.0 0 0.0 15 42
229 S 237 CYS C t T + 0 0 -103.6 19.7 179.0 114.7 52.4 82.2 256 -1.9 233 -0.9 0 0.0 0 0.0 14 54
231 S 239 GLY G G G > T + 0 0 -57.1 -39.7 179.5 65.5 66.6 30.9 0 0.0 234 -1.8 0 0.0 200 -1.3 13 57
232 S 240 PRO P G G 3 TS+ 0 0 -52.4 -35.4 -178.6 34.8 111.5 31.5 0 0.0 0 0.0 0 0.0 0 0.0 9 48
233 S 241 SER S G G < TS+ 0 0 -107.5 23.5 -177.0 94.3 104.3 84.1 230 -0.9 0 0.0 0 0.0 0 0.0 9 43
234 S 242 THR T g < T - 0 0 -126.2 132.2 -179.2 -158.8 54.7 162.1 231 -1.8 199 -2.7 0 0.0 236 -0.6 12 52
235 S 243 TYR Y B B C + 198 0 -113.9 107.7 179.1 107.1 43.3 155.4 0 0.0 0 0.0 0 0.0 0 0.0 12 53
236 S 244 ALA A - 0 0 -165.7 161.9 -179.3 -116.2 68.0 159.3 197 -0.9 0 0.0 234 -0.6 0 0.0 11 59
237 S 245 ASP D S h > > TS+ 0 0 -98.8 25.7 -179.4 122.8 71.3 84.2 194 -1.0 241 -2.4 0 0.0 240 -1.6 13 53
238 S 246 CYS C H H > 3 T + 0 0 -53.5 -37.2 -178.9 63.9 64.4 39.0 0 0.0 242 -2.1 0 0.0 0 0.0 9 57
239 S 247 ALA A H H 4 3 TS+ 0 0 -64.7 -21.2 179.8 29.0 116.2 46.2 0 0.0 0 0.0 0 0.0 0 0.0 10 50
240 S 248 LYS K H H 4 < TS+ 0 0 -105.3 -39.5 -178.5 35.9 130.6 37.3 237 -1.6 0 0.0 0 0.0 0 0.0 6 37
241 S 249 ARG R H H < TS- 0 0 -81.2 -42.7 -178.2 -176.6 87.7 30.7 237 -2.4 0 0.0 0 0.0 0 0.0 7 40
242 S 250 ARG R h < T - 0 0 65.7 -169.6 -177.1 -66.3 28.2 97.8 238 -2.1 0 0.0 0 0.0 0 0.0 12 43
243 S 251 TRP W B B > E >TS+ 248 0 -124.3 155.4 178.4 11.8 95.2 151.7 248 -2.7 248 -1.4 0 0.0 247 -1.3 10 42
244 S 252 ASN N T T 4 >5TS- 0 0 50.7 58.6 179.0 -37.4 135.3 21.1 0 0.0 247 -0.6 0 0.0 0 0.0 7 37
245 S 253 ASN N T T 4 35TS- 0 0 63.4 46.6 178.5 -55.9 115.1 21.9 0 0.0 0 0.0 0 0.0 0 0.0 6 28
246 S 254 GLY G T T 4 35TS+ 0 0 63.8 18.8 -178.8 129.4 102.6 51.7 0 0.0 0 0.0 0 0.0 0 0.0 8 24
247 S 255 ILE I T T < <5TS- 0 0 -70.5 -39.6 -178.2 -39.4 77.0 27.9 243 -1.3 0 0.0 244 -0.6 0 0.0 7 19
248 S 256 ASN N B B E T - 0 0 -154.3 160.9 -178.3 -99.9 32.5 165.7 0 0.0 253 -2.3 0 0.0 0 0.0 11 39
250 S 258 CYS C H H > TS+ 0 0 -48.8 -47.5 -178.6 49.3 116.1 32.3 0 0.0 254 -3.2 0 0.0 0 0.0 8 50
251 S 259 VAL V H H 4 TS+ 0 0 -66.0 -43.2 179.0 45.0 112.9 23.3 0 0.0 0 0.0 0 0.0 0 0.0 9 57
252 S 260 GLU E H H 4 TS+ 0 0 -63.2 -46.2 -178.6 39.3 122.5 18.9 0 0.0 0 0.0 0 0.0 0 0.0 7 44
253 S 261 ASN N H H < TS- 0 0 -71.0 -41.8 -178.5 -46.0 140.2 29.8 249 -2.3 0 0.0 0 0.0 0 0.0 7 35
254 S 262 ALA A S h < TS- 0 0 -153.5 -100.6 179.5 -34.7 92.9 91.0 250 -3.2 0 0.0 0 0.0 0 0.0 8 41
255 S 263 VAL V - 0 0 -142.8 153.6 176.0 -110.1 49.4 166.7 0 0.0 0 0.0 0 0.0 0 0.0 14 53
256 S 264 CYS C - 0 0 -80.6 139.3 179.8 -164.6 23.9 132.3 0 0.0 230 -1.9 0 0.0 0 0.0 11 59
257 S 265 ILE I - 0 0 -109.0 9.8 179.4 -114.3 39.3 72.4 0 0.0 0 0.0 0 0.0 0 0.0 10 53
258 S 266 GLY G t > T + 0 0 62.7 35.8 -177.9 164.2 53.6 36.7 0 0.0 261 -1.5 0 0.0 0 0.0 12 59
259 S 267 CYS C T T 3 T + 0 0 -57.9 -22.1 -179.1 56.7 66.3 50.4 0 0.0 155 -0.7 0 0.0 0 0.0 12 63
260 S 268 VAL V T T 3 TS+ 0 0 -88.5 -11.9 -178.8 103.6 86.3 53.7 0 0.0 0 0.0 0 0.0 0 0.0 14 70
261 S 269 GLU E S t X TS- 0 0 -76.5 147.4 -179.7 -125.3 77.4 114.0 258 -1.5 264 -1.9 0 0.0 0 0.0 11 59
262 S 270 PRO P T T 3 TS+ 0 0 -60.1 -24.9 -179.1 55.1 111.1 44.0 0 0.0 0 0.0 0 0.0 0 0.0 10 53
263 S 271 ASP D T T > 3>TS+ 0 0 -95.2 12.6 177.8 157.6 85.6 77.7 0 0.0 267 -3.3 0 0.0 268 -0.5 9 43
264 S 272 PHE F T T 4 <5T + 0 0 -80.5 134.6 0.6 7.5 59.5 135.5 261 -1.9 0 0.0 0 0.0 0 0.0 13 48
265 S 273 PRO P T g 4 >5TS+ 0 0 -92.0 -31.2 -177.2 41.5 130.8 160.1 0 0.0 268 -2.3 0 0.0 0 0.0 11 47
266 S 274 ASP D G G 4 >5TS+ 0 0 -44.0 -43.7 -179.7 47.8 117.1 35.1 0 0.0 269 -1.1 0 0.0 0 0.0 9 34
267 S 275 GLY G G G < 35TS+ 0 0 -76.0 -13.5 179.9 47.4 114.8 52.0 263 -3.3 0 0.0 0 0.0 0 0.0 6 34
268 S 276 LYS K G G < TS- 0 0 -65.9 147.4 179.8 -160.1 74.1 60.9 0 0.0 273 -1.1 0 0.0 0 0.0 7 27
271 S 279 PHE F T T 3 TS+ 0 0 -69.9 -31.5 -179.4 45.7 88.0 33.0 0 0.0 0 0.0 0 0.0 0 0.0 9 35
272 S 280 TYR Y T T 3 TS+ 0 0 -103.4 26.4 177.2 89.5 95.1 85.1 0 0.0 0 0.0 0 0.0 0 0.0 8 33
273 S 281 VAL V S t < TS- 0 0 -123.5 126.5 -179.3 -107.8 85.2 169.6 270 -1.1 0 0.0 0 0.0 0 0.0 10 31
274 S 282 ALA A 0 0 -53.1 144.1 177.8 999.9 999.9 100.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
275 S 283 GLU E 0 0 -63.2 999.9 999.9 999.9 999.9 4.8 229 -0.5 0 0.0 0 0.0 0 0.0 6 32
1cc1S.pdb
1CC1 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEEEESB SHHHHHHHT TTTTHHHHHHHTEEEEE TTT S HHHHHHHHHHHHHHTTTSSEEEEESBEE GGGGTT EEE SSS EEHHH Kabs/Sand
chirality -------+-+--+++++++++++---++++++++--+++-+++-+--++++++++++++++++++-----+---+++--++++-- +--+----+++ chirality
bends SS S SSSSSSS SS SSSSSSSS SSS S SSSSSSSSSSSSSSSSSSS S SSSS S SSS SSS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< >>555<< >5555< 5-turns
3-turns >>3<<>33X33< >33< >33< >3><3< >>>>>>X<<<< >>>>X<<<< >444< >>>>XXXXXXXX<<<< >>>> 4-turns
summary EEEEEEEeB hHHHHHHHhtTTThHHHHHHHhEEEEEtTTTtS hHHHHHHHHHHHHHHhTTteEEEEESBEEeGGGGgTeEEE SSS EEHHH summary
sequence KKAPVIWVQGQGCTGCSVSLLNAVHPRIKEILLDVISLEFHPTVMASEGEMALAHMYEIAEKFNGNFFLLVEGAIPTAKEGRYCIVGEAKAHHHEVTMME sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHGGGSSEEEEESHHHHH TGGGSTT S EE HHHHHHHHT EEEE SS HHHHHHHHHHHHHHHHSTTTS B TTS BHHHHSSBTT Kabs/Sand
chirality ++++++++------+-+++----+++-++-+-----+++++++-+-+------+-----++++++++++++++++++++-------+-+--+++++--++ chirality
bends SSSSSSSSSS SSSSSS SSSSSS S SSSSSSSS SS SSSSSSSSSSSSSSSSSSSSS SSS SSSSSS SS bends
turns TTTTTTTTT TTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTT TTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >>333< >33< >33< >33< >33< > 3-turns
bridge-2 ffff bridge-2
bridge-1 cccc DD ffff B B C bridge-1
sheets AAAAA BB AAAA sheets
4-turns XX<>>4<>>>XX<<<< >>>>XXXXXXXXXX<<>44<< >44 4-turns
summary HHHHHhGGgSEEEEEhHHHHHhgGGGgTTt SeEEhHHHHHHHHht eEEEE SS hHHHHHHHHHHHHHHHHhTTTt BtTTt hHHHHhSBTT summary
sequence LIRDLAPKSLATVAVGTCSAYGGIPAAEGNVTGSKSVRDFFADEKIEKLLVNVPGCPPHPDWMVGTLVAAWSHVLNPTEHPLPELDDDGRPLLFFGDNIH sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TT TTHHHHHTT B SSTTSSSBSGGGT GGG B SHHHH BTTTTB HHHHS TTSTTTTGGG STTS Kabs/Sand
chirality ++-+++++++-++--+-++-+--+++-+-++++-+-++++--+--+---+++-----+++-++++++++-++- chirality
bends SS SSSSSSSS SSSSSSS SSSS SS S SSS SSSSS SSSSS SSSS SSSS SSSS bends
turns TTTTTTTTTTTTT TTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns 33X3><3X>3<< >33< >>3<< >>3<< >33< >33< >33X33<>>3<<>33< 3-turns
bridge-2 bridge-2
bridge-1 d d C E E bridge-1
sheets sheets
4-turns 4< >>>4<<< >>44<<>444< >>44<< >444< 4-turns
summary TTtThHHHHHhTtB StTTtSSBgGGGgtgGGGgB hHHHHhBTTTTBhHHHHh tTTtTTTgGGGgtTTt summary
sequence ENCPYLDKYDNSEFAETFTKPGCKAELGCKGPSTYADCAKRRWNNGINWCVENAVCIGCVEPDFPDGKSPFYVAE sequence
210 220 230 240 250 260 270
Messages
chain break between 88(S 93 ) and 89(S 97 )