Secondary structure calculation program - copyright by David Keith Smith, 1989
1nocB.pdb
1NOC COMPLEX (OXIDOREDUCTASE/TRANSFERASE) MOL_ID: 1; MOL_ID: 1;
Sequence length - 213
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 5 ILE I 0 0 999.9 -51.1 -177.2 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 17
2 B 6 THR T + 0 0 -89.0 160.4 -177.2 38.3 999.9 116.6 0 0.0 0 0.0 0 0.0 0 0.0 5 23
3 B 7 GLY G S S S+ 0 0 66.5 63.7 -174.5 145.3 95.3 12.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
4 B 8 TYR Y + 0 0 -149.3 142.6 177.0 139.1 31.2 169.7 0 0.0 0 0.0 0 0.0 0 0.0 9 30
5 B 9 THR T - 0 0 -174.1 94.1 -179.6 -137.2 41.4 125.7 0 0.0 80 -0.6 0 0.0 0 0.0 8 30
6 B 10 THR T B B A - 79 0 -63.3 124.3 179.9 -130.6 20.2 117.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28
7 B 11 VAL V - 0 0 -83.9 123.2 177.5 -144.7 6.1 132.7 78 -3.5 9 -0.8 0 0.0 0 0.0 8 33
8 B 12 ASP D - 0 0 -85.4 107.9 -178.7 -167.4 12.0 143.2 0 0.0 0 0.0 0 0.0 0 0.0 7 25
9 B 13 ILE I S t > TS+ 0 0 -67.7 -31.0 -179.4 72.2 77.9 32.2 7 -0.8 12 -1.9 0 0.0 0 0.0 7 28
10 B 14 SER S T T 3 TS+ 0 0 -53.0 -42.9 -179.8 36.1 103.8 34.2 0 0.0 0 0.0 0 0.0 0 0.0 5 16
11 B 15 GLN Q T T 3 TS+ 0 0 -100.8 21.1 -179.7 114.0 95.9 83.7 0 0.0 0 0.0 0 0.0 0 0.0 6 14
12 B 16 TRP W t X T - 0 0 -93.4 149.9 179.9 -145.4 61.3 129.1 9 -1.9 15 -0.5 0 0.0 0 0.0 7 24
13 B 17 HIS H T T 3 TS+ 0 0 -84.7 -21.2 179.5 46.8 102.9 47.0 0 0.0 0 0.0 0 0.0 0 0.0 5 18
14 B 18 ARG R T T > 3 TS+ 0 0 -106.2 23.3 -178.8 119.1 74.3 87.6 0 0.0 18 -2.3 0 0.0 0 0.0 6 28
15 B 19 LYS K T T 4 < TS+ 0 0 -60.2 -29.4 178.3 39.5 83.7 37.6 12 -0.5 0 0.0 0 0.0 0 0.0 10 28
16 B 20 GLU E T h > TS+ 0 0 -84.5 -41.6 179.8 57.3 110.3 31.7 0 0.0 20 -2.9 0 0.0 0 0.0 7 25
17 B 21 HIS H H H > TS+ 0 0 -55.1 -33.9 179.2 47.3 110.6 30.9 0 0.0 21 -1.6 0 0.0 0 0.0 8 30
18 B 22 PHE F H H < TS+ 0 0 -78.2 -27.1 179.1 53.6 109.5 43.1 14 -2.3 0 0.0 0 0.0 0 0.0 10 40
19 B 23 GLU E H H 4 >>TS+ 0 0 -72.1 -48.5 -179.1 36.4 116.4 20.6 0 0.0 24 -0.8 0 0.0 22 -0.7 10 30
20 B 24 ALA A H H X >5TS+ 0 0 -66.9 -66.5 -178.8 48.6 116.3 5.4 16 -2.9 23 -2.1 0 0.0 24 -1.3 11 24
21 B 25 PHE F T h < 35TS+ 0 0 -66.1 24.3 -178.7 49.7 115.0 80.2 17 -1.6 27 -0.6 0 0.0 0 0.0 12 29
22 B 26 GLN Q T T 4 <5TS- 0 0 -140.1 -7.8 -179.6 -2.3 132.1 66.7 19 -0.7 0 0.0 0 0.0 0 0.0 12 35
23 B 27 SER S T T 4 <5TS+ 0 0 -153.9 -42.1 180.0 39.8 131.4 65.6 20 -2.1 0 0.0 0 0.0 0 0.0 7 23
24 B 28 VAL V S t < T + 0 0 -90.5 16.3 -179.2 112.1 42.0 78.7 35 -1.4 41 -3.1 179 -1.3 0 0.0 12 47
38 B 42 THR T H H > TS+ 0 0 -52.8 -57.6 179.9 37.3 82.5 17.5 179 -0.7 42 -1.9 0 0.0 0 0.0 9 35
39 B 43 ALA A H H > TS+ 0 0 -63.3 -39.3 -179.7 53.5 118.2 29.1 0 0.0 43 -1.9 0 0.0 0 0.0 10 35
40 B 44 PHE F H H > TS+ 0 0 -62.1 -56.8 -179.4 42.0 110.3 18.5 0 0.0 44 -1.8 0 0.0 0 0.0 11 44
41 B 45 LEU L H H X TS+ 0 0 -59.1 -46.9 179.8 56.1 112.4 22.1 37 -3.1 45 -2.4 0 0.0 0 0.0 9 43
42 B 46 LYS K H H X TS+ 0 0 -49.7 -55.4 -179.9 43.7 110.0 21.7 38 -1.9 46 -0.8 0 0.0 0 0.0 8 32
43 B 47 THR T H H X TS+ 0 0 -62.1 -33.5 179.7 52.8 113.6 33.6 39 -1.9 47 -1.1 0 0.0 0 0.0 9 27
44 B 48 VAL V H H < TS+ 0 0 -72.4 -33.3 179.1 61.2 99.6 34.6 40 -1.8 0 0.0 0 0.0 0 0.0 11 33
45 B 49 LYS K H H < TS+ 0 0 -64.1 -25.2 178.9 55.5 102.0 39.9 41 -2.4 0 0.0 0 0.0 0 0.0 9 22
46 B 50 LYS K H H < TS+ 0 0 -72.2 -46.7 179.7 60.1 104.7 22.6 42 -0.8 0 0.0 0 0.0 0 0.0 6 17
47 B 51 ASN N S h < TS- 0 0 -79.9 166.6 179.6 -111.2 94.7 106.5 43 -1.1 0 0.0 0 0.0 0 0.0 6 22
48 B 52 LYS K S S S+ 0 0 -80.9 15.2 -179.2 124.4 79.9 77.3 0 0.0 0 0.0 0 0.0 0 0.0 6 22
49 B 53 HIS H - 0 0 -81.9 133.5 177.5 -133.5 59.3 126.5 0 0.0 0 0.0 0 0.0 0 0.0 8 31
50 B 54 LYS K h > T - 0 0 -78.5 163.0 -177.8 -121.1 18.8 115.0 0 0.0 54 -0.8 0 0.0 0 0.0 8 29
51 B 55 PHE F H H > TS+ 0 0 -74.1 -49.6 -178.6 51.9 100.3 22.8 0 0.0 55 -2.1 0 0.0 0 0.0 8 43
52 B 56 TYR Y H H > TS+ 0 0 -54.8 -60.7 -179.8 43.1 112.0 13.5 0 0.0 56 -2.6 0 0.0 0 0.0 6 57
53 B 57 PRO P H H > TS+ 0 0 -57.5 -32.0 -180.0 56.5 112.1 36.2 0 0.0 57 -1.5 0 0.0 0 0.0 10 57
54 B 58 ALA A H H X TS+ 0 0 -66.4 -44.9 179.9 39.8 112.2 23.5 50 -0.8 58 -1.2 0 0.0 0 0.0 11 52
55 B 59 PHE F H H X TS+ 0 0 -72.3 -38.9 179.4 58.8 110.3 28.6 51 -2.1 59 -1.8 0 0.0 0 0.0 8 72
56 B 60 ILE I H H X TS+ 0 0 -56.6 -38.5 -179.5 53.7 104.2 31.2 52 -2.6 60 -2.4 0 0.0 0 0.0 11 70
57 B 61 HIS H H H X TS+ 0 0 -65.3 -44.4 180.0 52.6 103.9 26.3 53 -1.5 61 -2.8 0 0.0 0 0.0 10 60
58 B 62 ILE I H H X TS+ 0 0 -59.7 -41.1 178.8 47.7 111.6 26.4 54 -1.2 62 -2.2 0 0.0 0 0.0 11 60
59 B 63 LEU L H H X TS+ 0 0 -62.6 -50.6 -179.9 48.4 113.0 14.6 55 -1.8 63 -2.5 0 0.0 0 0.0 9 69
60 B 64 ALA A H H X TS+ 0 0 -58.3 -36.7 179.9 53.5 109.3 33.6 56 -2.4 64 -2.2 0 0.0 0 0.0 12 61
61 B 65 ARG R H H < TS+ 0 0 -65.2 -47.2 179.8 44.6 111.3 19.0 57 -2.8 0 0.0 0 0.0 0 0.0 9 55
62 B 66 LEU L H H X > TS+ 0 0 -65.0 -37.2 179.6 54.2 111.4 30.4 58 -2.2 66 -1.8 0 0.0 65 -0.9 10 52
63 B 67 MET M H H < 3 TS+ 0 0 -63.4 -44.2 179.6 44.5 111.3 22.6 59 -2.5 0 0.0 0 0.0 0 0.0 12 55
64 B 68 ASN N T h < 3 TS+ 0 0 -81.6 3.5 177.3 62.4 107.2 66.9 60 -2.2 0 0.0 0 0.0 0 0.0 12 47
65 B 69 ALA A T T 4 < TS+ 0 0 -90.1 -45.3 -179.8 48.3 104.5 30.4 62 -0.9 0 0.0 0 0.0 0 0.0 6 38
66 B 70 HIS H g < > T - 0 0 -104.0 138.0 -179.8 -150.8 66.7 143.2 62 -1.8 69 -0.5 0 0.0 0 0.0 8 43
67 B 71 PRO P G G > TS+ 0 0 -71.1 -36.2 -178.8 67.2 90.9 34.7 0 0.0 70 -2.1 0 0.0 0 0.0 10 46
68 B 72 GLU E G G > TS+ 0 0 -58.4 -26.3 179.9 53.2 100.0 39.5 0 0.0 71 -0.6 0 0.0 0 0.0 9 59
69 B 73 PHE F G G < TS+ 0 0 -86.0 -6.8 -179.1 50.6 108.6 57.8 66 -0.5 0 0.0 0 0.0 0 0.0 12 62
70 B 74 ARG R G e < TS+ 0 0 -118.2 22.0 -179.5 123.2 82.9 86.1 67 -2.1 81 -2.1 0 0.0 0 0.0 18 57
71 B 75 MET M E E BB < T + 80 0 -86.0 162.5 179.8 141.0 23.2 113.8 68 -0.6 0 0.0 0 0.0 0 0.0 13 59
72 B 76 ALA A E E BB - 79 0 -174.5 -175.8 179.4 -101.1 46.4 160.7 79 -1.5 79 -2.0 0 0.0 0 0.0 12 51
73 B 77 MET M E E BB + 78 0 -130.8 123.0 -178.4 171.9 35.0 171.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
74 B 78 LYS K S e S- 0 0 -96.6 -94.4 180.0 -0.8 70.7 38.4 77 -1.9 76 -0.8 0 0.0 0 0.0 7 29
75 B 79 ASP D S S S- 0 0 -97.5 56.7 -179.4 -57.9 128.2 110.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
76 B 80 GLY G S S S+ 0 0 74.5 40.2 -179.0 104.6 115.8 29.5 74 -0.8 0 0.0 0 0.0 0 0.0 5 19
77 B 81 GLU E S e S- 0 0 -151.4 138.0 178.9 -117.2 75.2 170.6 0 0.0 74 -1.9 0 0.0 79 -0.7 8 29
78 B 82 LEU L E E BB + 73 0 -80.1 114.5 -179.3 170.0 48.2 134.7 0 0.0 7 -3.5 0 0.0 0 0.0 12 43
79 B 83 VAL V E E BBA - 72 6 -120.7 177.5 178.8 -133.5 32.8 128.6 72 -2.0 72 -1.5 77 -0.7 0 0.0 12 40
80 B 84 ILE I E E BB - 71 0 -136.5 114.3 -180.0 -128.8 25.0 161.5 5 -0.6 0 0.0 0 0.0 0 0.0 14 44
81 B 85 TRP W e - 0 0 -63.5 131.6 179.4 -136.2 11.6 112.6 70 -2.1 0 0.0 0 0.0 0 0.0 14 43
82 B 86 ASP D S S S+ 0 0 -54.6 -36.9 179.7 7.8 91.4 29.5 0 0.0 0 0.0 0 0.0 0 0.0 10 40
83 B 87 SER S - 0 0 -146.1 152.9 179.7 -151.0 68.2 167.3 0 0.0 0 0.0 0 0.0 0 0.0 9 43
84 B 88 VAL V - 0 0 -130.6 131.8 -177.9 -144.4 14.2 175.7 0 0.0 0 0.0 0 0.0 0 0.0 13 52
85 B 89 HIS H E E Ac - 138 0 -100.4 145.9 179.7 -110.0 20.2 133.9 137 -1.7 139 -1.4 0 0.0 0 0.0 12 59
86 B 90 PRO P E E Ac - 139 0 -68.0 155.1 178.9 -159.7 16.8 106.3 0 0.0 103 -0.7 0 0.0 0 0.0 15 62
87 B 91 CYS C E E AcD + 140 102 -137.1 65.9 -179.4 178.0 22.1 120.5 139 -1.1 141 -1.2 0 0.0 0 0.0 12 58
88 B 92 TYR Y E E AcD - 141 101 -67.8 160.6 179.6 -110.2 27.1 99.6 101 -0.6 101 -2.0 0 0.0 0 0.0 12 60
89 B 93 THR T E E A D - 0 100 -92.8 155.1 178.9 -154.1 21.5 125.2 141 -0.8 0 0.0 0 0.0 0 0.0 11 53
90 B 94 VAL V E E A D - 0 99 -131.4 131.4 -178.7 -138.4 12.5 178.1 99 -2.7 99 -2.4 0 0.0 0 0.0 9 46
91 B 95 PHE F E E A D - 0 98 -100.1 135.4 179.2 -159.5 7.0 140.3 0 0.0 93 -0.7 0 0.0 0 0.0 8 32
92 B 96 HIS H E E >A D >T - 0 97 -110.5 97.1 -178.7 -178.9 9.4 150.7 97 -2.8 96 -1.2 0 0.0 97 -1.2 11 27
93 B 97 GLU E T T 4 5TS+ 0 0 -62.9 -39.9 -179.2 55.4 79.0 31.3 91 -0.7 0 0.0 0 0.0 0 0.0 6 17
94 B 98 GLN Q T T 4 5TS+ 0 0 -62.7 -44.6 -179.4 25.1 122.9 25.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
95 B 99 THR T T T 4 5TS- 0 0 -100.5 -1.8 179.8 -130.7 101.6 63.6 0 0.0 0 0.0 0 0.0 0 0.0 5 15
96 B 100 GLU E T T < 5TS+ 0 0 52.8 43.0 178.1 104.4 70.0 31.2 92 -1.2 0 0.0 0 0.0 0 0.0 7 18
97 B 101 THR T E E AD > TS- 0 0 -72.6 110.1 -178.7 -152.4 75.3 130.2 0 0.0 112 -1.1 0 0.0 111 -0.8 7 29
109 B 113 PHE F H H > > TS+ 0 0 -49.2 -49.5 -178.9 60.1 89.0 28.5 107 -0.9 113 -2.0 0 0.0 112 -1.0 11 40
110 B 114 ARG R H H > 3 TS+ 0 0 -51.5 -38.9 178.9 46.8 106.3 31.7 0 0.0 114 -0.7 0 0.0 0 0.0 6 33
111 B 115 GLN Q H H > < TS+ 0 0 -76.5 -21.5 179.7 58.1 108.9 43.9 108 -0.8 115 -0.9 0 0.0 0 0.0 8 26
112 B 116 PHE F H H X X TS+ 0 0 -73.5 -47.2 179.6 53.8 99.1 23.4 108 -1.1 116 -3.1 109 -1.0 115 -0.5 13 39
113 B 117 LEU L H H X 3 TS+ 0 0 -58.5 -26.6 178.8 57.6 105.7 38.7 109 -2.0 117 -2.7 0 0.0 0 0.0 10 40
114 B 118 HIS H H H X 3 TS+ 0 0 -70.3 -39.5 179.1 40.0 111.6 27.9 110 -0.7 118 -1.3 0 0.0 0 0.0 8 28
115 B 119 ILE I H H X < TS+ 0 0 -74.8 -38.9 179.7 51.2 117.6 30.7 111 -0.9 119 -1.9 112 -0.5 0 0.0 10 36
116 B 120 TYR Y H H X TS+ 0 0 -60.6 -63.6 -179.7 41.7 112.6 9.3 112 -3.1 120 -2.6 0 0.0 0 0.0 11 43
117 B 121 SER S H H X TS+ 0 0 -54.1 -39.2 179.9 55.0 113.5 34.1 113 -2.7 121 -2.3 0 0.0 0 0.0 8 36
118 B 122 GLN Q H H X TS+ 0 0 -62.8 -45.2 179.1 42.8 111.7 24.9 114 -1.3 122 -1.8 0 0.0 0 0.0 8 26
119 B 123 ASP D H H X TS+ 0 0 -68.8 -40.1 179.5 52.1 113.7 28.8 115 -1.9 123 -0.7 0 0.0 0 0.0 10 35
120 B 124 VAL V H H X TS+ 0 0 -63.7 -40.0 -179.4 51.1 108.9 28.5 116 -2.6 124 -2.1 0 0.0 0 0.0 8 38
121 B 125 ALA A H H < TS+ 0 0 -63.2 -51.1 -179.0 47.8 109.6 18.3 117 -2.3 0 0.0 0 0.0 0 0.0 7 26
122 B 126 CYS C H H < TS+ 0 0 -68.5 -10.2 -178.6 21.4 130.7 56.2 118 -1.8 0 0.0 0 0.0 0 0.0 7 24
123 B 127 TYR Y H H < > TS+ 0 0 -137.9 -1.8 -178.8 110.7 85.4 66.7 119 -0.7 126 -2.1 0 0.0 0 0.0 8 30
124 B 128 GLY G T h < 3 TS+ 0 0 -47.1 -36.9 -179.6 34.0 93.0 37.7 120 -2.1 0 0.0 0 0.0 0 0.0 8 34
125 B 129 GLU E T T 3 TS+ 0 0 -103.1 4.7 179.2 118.7 87.2 71.0 0 0.0 127 -0.8 0 0.0 0 0.0 6 28
126 B 130 ASN N t < T - 0 0 -76.8 111.0 -178.9 -157.7 51.9 130.4 123 -2.1 0 0.0 0 0.0 0 0.0 6 29
127 B 131 LEU L + 0 0 -65.7 -7.3 -179.9 119.3 55.4 57.8 125 -0.8 0 0.0 0 0.0 0 0.0 8 26
128 B 132 ALA A - 0 0 -70.6 122.6 177.5 -137.6 66.6 119.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
129 B 133 TYR Y S S S+ 0 0 -37.9 -55.8 178.4 21.6 102.9 32.0 0 0.0 100 -3.4 0 0.0 0 0.0 7 29
130 B 134 PHE F S S S+ 0 0 -122.7 85.7 -179.8 171.6 73.5 146.6 0 0.0 0 0.0 0 0.0 0 0.0 9 34
131 B 135 PRO P S S S+ 0 0 -66.7 -26.7 179.7 35.9 86.2 42.2 0 0.0 0 0.0 0 0.0 0 0.0 11 30
132 B 136 LYS K S S S- 0 0 -105.5 -2.6 179.9 -133.8 111.1 67.2 0 0.0 0 0.0 0 0.0 0 0.0 6 35
133 B 137 GLY G - 0 0 87.0 -152.3 -178.5 -35.5 41.8 120.3 0 0.0 0 0.0 0 0.0 0 0.0 6 27
134 B 138 PHE F - 0 0 -118.7 131.6 176.9 -159.2 43.5 157.9 0 0.0 0 0.0 0 0.0 0 0.0 5 25
135 B 139 ILE I - 0 0 -105.6 135.4 -179.5 -134.4 21.8 154.9 0 0.0 0 0.0 0 0.0 0 0.0 6 36
136 B 140 GLU E S S S+ 0 0 -57.0 -31.6 -179.1 51.8 96.0 35.2 0 0.0 138 -0.6 0 0.0 0 0.0 4 40
137 B 141 ASN N S e S+ 0 0 -116.4 102.5 178.8 116.3 75.7 149.6 0 0.0 85 -1.7 0 0.0 0 0.0 11 48
138 B 142 MET M E E Ac - 85 0 -163.0 143.2 178.2 -140.6 46.3 167.5 136 -0.6 0 0.0 0 0.0 0 0.0 12 59
139 B 143 PHE F E E Ac - 86 0 -105.4 139.3 -177.1 -116.5 33.9 154.2 85 -1.4 87 -1.1 0 0.0 0 0.0 14 61
140 B 144 PHE F E E Ace - 87 166 -84.1 143.8 -179.9 -173.7 24.4 119.6 165 -2.0 167 -2.9 0 0.0 0 0.0 11 62
141 B 145 VAL V E E Ace - 88 167 -135.5 93.0 178.9 -178.2 10.1 146.3 87 -1.2 89 -0.8 0 0.0 0 0.0 13 57
142 B 146 SER S E E A e - 0 168 -87.6 160.1 -179.7 -144.4 13.7 122.4 167 -3.0 169 -1.6 0 0.0 0 0.0 10 51
143 B 147 ALA A E E A e + 0 169 -134.2 145.3 179.3 176.2 25.5 167.8 0 0.0 0 0.0 0 0.0 0 0.0 9 47
144 B 148 ASN N E E A e> T + 0 170 -138.3 63.4 -179.9 154.8 18.2 119.2 169 -2.9 147 -1.5 0 0.0 171 -1.2 10 43
145 B 149 PRO P T T 3 TS+ 0 0 -67.5 -13.2 -179.4 62.9 74.4 44.9 0 0.0 0 0.0 0 0.0 0 0.0 9 36
146 B 150 TRP W T T 3 TS+ 0 0 -87.6 -6.1 -179.7 48.8 103.6 57.6 0 0.0 0 0.0 0 0.0 0 0.0 6 25
147 B 151 VAL V t < T - 0 0 -143.1 118.8 179.2 -151.6 63.7 160.5 144 -1.5 149 -1.5 0 0.0 171 -0.8 7 24
148 B 152 SER S - 0 0 -85.9 86.4 -178.3 -169.1 35.8 131.3 0 0.0 0 0.0 0 0.0 0 0.0 12 30
149 B 153 PHE F - 0 0 -81.1 158.9 178.9 -161.6 33.1 110.4 147 -1.5 0 0.0 0 0.0 0 0.0 8 32
150 B 154 THR T S S S+ 0 0 -114.6 0.2 179.6 20.5 85.0 71.9 0 0.0 0 0.0 0 0.0 0 0.0 8 31
151 B 155 SER S + 0 0 -166.5 145.4 178.9 179.8 60.0 160.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
152 B 156 PHE F - 0 0 -157.7 120.1 -179.5 -177.8 5.8 149.3 0 0.0 0 0.0 0 0.0 0 0.0 10 35
153 B 157 ASP D - 0 0 -124.6 138.2 177.1 -153.3 15.0 164.9 0 0.0 155 -0.6 0 0.0 0 0.0 8 33
154 B 158 LEU L - 0 0 -109.3 119.1 179.7 -167.3 12.1 159.2 0 0.0 156 -0.7 0 0.0 0 0.0 6 35
155 B 159 ASN N - 0 0 -111.6 108.2 179.9 -171.5 7.5 155.0 153 -0.6 0 0.0 0 0.0 0 0.0 4 28
156 B 160 VAL V - 0 0 -98.0 150.4 -180.0 -147.3 20.1 131.9 154 -0.7 0 0.0 0 0.0 0 0.0 5 25
157 B 161 ALA A S S S+ 0 0 -78.3 -58.4 179.1 36.3 91.0 16.6 0 0.0 159 -0.8 0 0.0 0 0.0 4 16
158 B 162 ASN N + 0 0 -100.8 104.3 178.8 162.1 60.0 151.2 0 0.0 0 0.0 0 0.0 0 0.0 5 18
159 B 163 MET M t > T + 0 0 -102.1 9.2 179.4 139.9 25.6 74.5 157 -0.8 162 -2.1 0 0.0 0 0.0 9 32
160 B 164 ASP D T T 3 TS- 0 0 -58.2 109.6 179.2 -17.8 88.7 112.2 0 0.0 0 0.0 0 0.0 0 0.0 5 34
161 B 165 ASN N T T 3 TS+ 0 0 64.9 17.9 178.1 148.8 90.9 48.6 0 0.0 163 -1.7 0 0.0 0 0.0 7 45
162 B 166 PHE F t < T + 0 0 -82.9 85.6 -177.9 150.7 8.4 128.9 159 -2.1 0 0.0 0 0.0 0 0.0 8 46
163 B 167 PHE F + 0 0 -97.1 -5.5 179.8 111.6 27.9 60.1 161 -1.7 0 0.0 0 0.0 0 0.0 12 56
164 B 168 ALA A - 0 0 -74.6 112.5 180.0 -128.5 68.4 127.5 0 0.0 0 0.0 0 0.0 0 0.0 14 63
165 B 169 PRO P e - 0 0 -61.5 147.5 -178.6 -144.6 17.3 104.1 0 0.0 140 -2.0 0 0.0 0 0.0 11 68
166 B 170 VAL V E E AeF - 140 186 -123.4 124.9 178.1 -167.5 11.4 165.8 186 -1.9 186 -1.9 0 0.0 0 0.0 12 61
167 B 171 PHE F E E AeF - 141 185 -104.9 155.7 179.1 -174.2 2.9 138.1 140 -2.9 142 -3.0 0 0.0 0 0.0 12 62
168 B 172 THR T E E AeF - 142 184 -153.3 117.9 -179.6 -173.0 4.4 155.3 184 -0.7 184 -1.6 0 0.0 0 0.0 12 54
169 B 173 MET M E E AeF - 143 183 -115.1 152.2 -179.1 -172.4 5.9 148.2 142 -1.6 144 -2.9 0 0.0 0 0.0 13 56
170 B 174 GLY G E E Ae - 144 0 -130.6 -169.5 -179.7 -42.5 39.2 126.7 182 -1.5 0 0.0 0 0.0 0 0.0 14 41
171 B 175 LYS K e - 0 0 -60.6 116.2 179.4 -134.2 58.1 113.6 144 -1.2 0 0.0 147 -0.8 0 0.0 12 35
172 B 176 TYR Y - 0 0 -74.6 145.1 -178.1 -154.4 23.1 119.5 0 0.0 0 0.0 0 0.0 0 0.0 10 39
173 B 177 TYR Y E E AG - 180 0 -126.8 154.4 179.8 -118.0 13.3 153.9 180 -2.2 180 -2.0 0 0.0 0 0.0 8 31
174 B 178 THR T E E AG + 179 0 -88.9 140.5 179.9 169.4 30.5 132.1 0 0.0 0 0.0 0 0.0 0 0.0 8 25
175 B 179 GLN Q e - 0 0 -155.1 92.8 179.5 -33.1 67.5 134.2 178 -3.0 0 0.0 0 0.0 0 0.0 7 19
176 B 180 GLY G S S S- 0 0 58.1 69.2 179.9 -39.0 122.6 12.5 0 0.0 0 0.0 0 0.0 0 0.0 4 13
177 B 181 ASP D S S S+ 0 0 63.1 4.9 -179.3 99.0 124.8 60.1 0 0.0 0 0.0 0 0.0 0 0.0 5 16
178 B 182 LYS K e - 0 0 -126.0 145.3 179.8 -147.1 62.6 160.0 0 0.0 175 -3.0 0 0.0 180 -0.6 8 23
179 B 183 VAL V E E A G - 0 174 -115.7 114.4 -179.8 -173.8 17.7 160.7 0 0.0 37 -1.3 0 0.0 38 -0.7 11 32
180 B 184 LEU L E E AAG - 36 173 -104.6 152.9 179.6 -157.1 6.6 137.8 173 -2.0 173 -2.2 178 -0.6 0 0.0 13 38
181 B 185 MET M E E AA - 35 0 -135.8 126.4 179.4 -125.0 17.1 170.6 35 -1.9 35 -1.9 0 0.0 0 0.0 15 49
182 B 186 PRO P E E AA + 34 0 -67.6 139.9 179.5 170.1 35.3 113.5 0 0.0 170 -1.5 0 0.0 0 0.0 16 47
183 B 187 LEU L E E AAF - 33 169 -152.1 139.5 -178.7 -171.2 10.1 165.5 33 -1.5 33 -2.6 0 0.0 0 0.0 12 55
184 B 188 ALA A E E AAF - 32 168 -141.9 136.2 179.9 -156.1 7.1 173.1 168 -1.6 168 -0.7 0 0.0 0 0.0 15 53
185 B 189 ILE I E E AAF - 31 167 -114.5 139.2 178.0 -159.2 3.4 152.9 31 -0.9 31 -0.7 0 0.0 187 -0.6 12 63
186 B 190 GLN Q E E AAF + 30 166 -113.5 116.0 179.9 168.9 24.9 163.3 166 -1.9 166 -1.9 0 0.0 0 0.0 13 56
187 B 191 VAL V E E AA - 29 0 -134.0 143.1 179.2 -118.8 37.4 172.8 29 -1.3 29 -2.2 185 -0.6 0 0.0 13 56
188 B 192 HIS H E E >AA > T - 28 0 -79.0 126.4 -178.4 -138.7 21.7 132.7 0 0.0 192 -1.6 0 0.0 191 -1.6 14 55
189 B 193 HIS H T e 4 3 TS+ 0 0 -62.7 -11.4 179.4 73.6 96.5 53.2 27 -2.1 0 0.0 0 0.0 0 0.0 11 46
190 B 194 ALA A T T 4 3 TS+ 0 0 -72.0 -30.5 -179.2 22.0 113.3 35.4 0 0.0 0 0.0 0 0.0 0 0.0 14 49
191 B 195 VAL V T T 4 < TS+ 0 0 -111.2 -17.0 -180.0 48.6 126.2 55.3 188 -1.6 0 0.0 0 0.0 0 0.0 11 58
192 B 196 CYS C t < T - 0 0 -133.2 139.9 179.1 -167.0 58.7 170.5 188 -1.6 0 0.0 0 0.0 0 0.0 12 51
193 B 197 ASP D h > T - 0 0 -112.9 169.8 179.6 -93.1 46.6 132.1 0 0.0 197 -1.9 0 0.0 0 0.0 8 41
194 B 198 GLY G H H > TS+ 0 0 -52.0 -32.4 179.5 52.8 126.8 34.5 0 0.0 198 -2.1 0 0.0 0 0.0 6 31
195 B 199 PHE F H H > TS+ 0 0 -67.2 -58.9 -179.2 51.3 104.0 15.0 0 0.0 199 -2.8 0 0.0 0 0.0 7 27
196 B 200 HIS H H H > TS+ 0 0 -46.4 -48.0 180.0 37.5 119.6 26.9 0 0.0 200 -1.4 0 0.0 0 0.0 9 38
197 B 201 VAL V H H X TS+ 0 0 -73.6 -40.6 179.9 58.6 113.2 27.2 193 -1.9 201 -2.1 0 0.0 0 0.0 9 45
198 B 202 GLY G H H X TS+ 0 0 -57.0 -45.2 -180.0 42.6 108.9 27.3 194 -2.1 202 -1.5 0 0.0 0 0.0 8 36
199 B 203 ARG R H H X TS+ 0 0 -71.8 -37.3 -179.5 55.2 110.9 29.2 195 -2.8 203 -3.3 0 0.0 0 0.0 8 29
200 B 204 MET M H H X TS+ 0 0 -63.9 -38.2 178.5 42.7 112.5 26.9 196 -1.4 204 -2.1 0 0.0 0 0.0 9 43
201 B 205 LEU L H H X TS+ 0 0 -73.7 -33.7 179.0 53.0 113.7 33.0 197 -2.1 205 -1.4 0 0.0 0 0.0 8 51
202 B 206 ASN N H H X TS+ 0 0 -65.1 -44.1 179.1 44.0 112.7 22.0 198 -1.5 206 -1.2 0 0.0 0 0.0 8 33
203 B 207 GLU E H H X TS+ 0 0 -67.8 -37.8 179.7 66.9 102.7 31.4 199 -3.3 207 -2.4 0 0.0 0 0.0 8 36
204 B 208 LEU L H H X TS+ 0 0 -50.7 -43.3 179.7 48.8 101.5 26.5 200 -2.1 208 -0.9 0 0.0 0 0.0 11 50
205 B 209 GLN Q H H X > TS+ 0 0 -64.2 -43.8 179.7 52.3 109.0 23.9 201 -1.4 209 -1.1 0 0.0 208 -0.6 11 39
206 B 210 GLN Q H H X 3 TS+ 0 0 -60.3 -40.3 180.0 52.7 107.1 29.7 202 -1.2 210 -0.5 0 0.0 0 0.0 8 28
207 B 211 TYR Y H H < 3 TS+ 0 0 -69.4 -23.0 180.0 52.7 107.3 44.5 203 -2.4 0 0.0 0 0.0 0 0.0 10 37
208 B 212 CYS C H H < < TS+ 0 0 -85.1 -23.1 179.1 57.7 101.7 46.2 204 -0.9 0 0.0 205 -0.6 0 0.0 11 43
209 B 213 ASP D H H < TS+ 0 0 -79.4 -15.3 -179.3 59.4 108.4 50.9 205 -1.1 0 0.0 0 0.0 0 0.0 9 29
210 B 214 GLU E S h < TS- 0 0 -112.2 164.4 179.7 -87.6 100.5 134.0 206 -0.5 0 0.0 0 0.0 0 0.0 8 28
211 B 215 TRP W - 0 0 -72.6 136.7 -178.6 -108.8 47.3 120.4 0 0.0 0 0.0 0 0.0 0 0.0 8 33
212 B 216 GLN Q 0 0 -29.7 -67.3 -179.2 999.9 999.9 37.8 0 0.0 0 0.0 0 0.0 0 0.0 7 44
213 B 217 GLY G 0 0 -76.6 999.9 999.9 999.9 999.9 53.5 0 0.0 0 0.0 0 0.0 0 0.0 4 31
1nocB.pdb
1NOC COMPLEX (OXIDOREDUCTASE/TRANSFERASE) MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S B STT TTTTHHHHTTTSS EEEEEEEEE HHHHHHHHHSS HHHHHHHHHHHHHTT GGGGEEESSSSEEE S EEEEEEEETTTTEEEE Kabs/Sand
chirality +++----+++-+++++++++-++++---+-+---+++++++++++-+--+++++++++++++++-+++++-+--+-+---+----+-----++-+---+ chirality
bends S SSS SSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSSSSSSS SSSS SSSS S SSSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >33X33< >>3<< >33<>>><<< 3-turns
bridge-2 A DDDDDD bridge-2
bridge-1 A AAAAAAAAA BBB BBB cccc DDDD bridge-1
sheets AAAAAAAAA BBB BBB AAAAAAAA AAAA sheets
4-turns >4>><4X<44< >>>>XXX<<<< >>>>XXXXXXX444< 4-turns
summary S B tTTtTTThHHHHhTTtS eEEEEEEEEEhHHHHHHHHHhS hHHHHHHHHHHHHHhTgGGGeEEEeSSeEEEeS EEEEEEEETTTTEEEE summary
sequence ITGYTTVDISQWHRKEHFEAFQSVAQCTYNQTVQLDITAFLKTVKKNKHKFYPAFIHILARLMNAHPEFRMAMKDGELVIWDSVHPCYTVFHEQTETFSS sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EE SSHHHHHHHHHHHHHHHTT SSSS SSEEEEEEETT S S TT EEEEE EE SS EEEEEEEEEETTT HHHHHHH Kabs/Sand
chirality ----+-+-+++++++++++++++++-+-+++----++-----++++---++-----+++-+++----------+--+----+---+--+++--+++++++ chirality
bends SSSSSSSSSSSSSSSSSSS SSSS SS SS S S SS SS SSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTTTTTTT turns
5-turns 5-turns
3-turns >>333< >33< >33< >33< 3-turns
bridge-2 eeeee FFFF GG FFFF bridge-2
bridge-1 DD cccc eeeee GG AAAAAAAAA bridge-1
sheets AA AAAAAAA AAAAA AA AAAAAAAAAA sheets
4-turns >>>>XXXXXXXXX<<<< >444<>>>>XXXX 4-turns
summary EEe ShHHHHHHHHHHHHHHHhTt SSSS SeEEEEEEETTt S S tTTt eEEEEEe EEeSSeEEEEEEEEEEeTTthHHHHHHH summary
sequence LWSEYHDDFRQFLHIYSQDVACYGENLAYFPKGFIENMFFVSANPWVSFTSFDLNVANMDNFFAPVFTMGKYYTQGDKVLMPLAIQVHHAVCDGFHVGRM sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHS Kabs/Sand
chirality +++++++++-- chirality
bends SSSSSSSSSS bends
turns TTTTTTTTTT turns
5-turns 5-turns
3-turns >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXX<<<< 4-turns
summary HHHHHHHHHh summary
sequence LNELQQYCDEWQG sequence
210