Secondary structure calculation program - copyright by David Keith Smith, 1989
1ba9-.pdb
1BA9 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 153
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 ALA A 0 0 999.9 178.8 177.0 999.9 999.9 999.9 0 0.0 22 -2.2 0 0.0 23 -1.8 10 36
2 2 THR T + 0 0 -99.8 13.6 -173.6 30.3 999.9 79.2 0 0.0 0 0.0 0 0.0 0 0.0 8 34
3 3 LYS K S e S+ 0 0 -175.4 89.0 176.8 154.8 72.3 120.4 0 0.0 152 -2.6 0 0.0 0 0.0 11 33
4 4 ALA A E E AAB - 20 151 -123.0 158.1 -174.2 -167.7 16.5 150.8 20 -2.9 20 -2.7 0 0.0 0 0.0 14 43
5 5 VAL V E E AAB - 19 150 -139.4 153.7 165.1 -158.5 12.6 160.2 150 -2.5 150 -3.1 0 0.0 0 0.0 12 45
6 6 ALA A E E AAB - 18 149 -137.8 111.4 178.8 -154.9 11.1 151.6 18 -2.3 18 -2.7 0 0.0 8 -1.0 13 56
7 7 VAL V E E AA - 17 0 -85.8 100.0 171.6 -155.5 14.7 137.8 148 -0.6 0 0.0 0 0.0 0 0.0 11 52
8 8 LEU L E E AA + 16 0 -68.6 142.8 176.0 163.5 21.8 121.7 16 -3.4 16 -2.0 6 -1.0 0 0.0 16 59
9 9 LYS K E E AAC - 15 146 -157.9 146.7 178.9 -174.5 10.6 161.1 146 -2.9 146 -2.9 0 0.0 0 0.0 12 44
10 10 GLY G E E A C - 0 145 -127.0 -163.0 175.7 -75.2 49.6 122.2 14 -1.4 0 0.0 12 -0.8 0 0.0 13 39
11 11 ASP D S e S+ 0 0 -64.5 -39.5 177.3 40.6 119.6 28.6 144 -0.7 0 0.0 0 0.0 0 0.0 7 28
12 12 GLY G S S S- 0 0 -96.9 -168.0 -172.6 -75.2 116.9 102.1 0 0.0 10 -0.8 0 0.0 0 0.0 6 25
13 13 PRO P S S S+ 0 0 -78.9 -2.7 164.8 129.1 85.5 61.2 0 0.0 0 0.0 0 0.0 0 0.0 8 25
14 14 VAL V e + 0 0 -44.1 116.2 176.9 154.6 32.7 111.4 0 0.0 10 -1.4 0 0.0 0 0.0 14 41
15 15 GLN Q E E AAD - 9 36 -148.4 154.6 177.8 -172.8 21.8 168.2 36 -1.6 36 -2.3 0 0.0 0 0.0 12 44
16 16 GLY G E E AAD - 8 35 -156.4 129.9 175.9 -141.2 21.1 155.6 8 -2.0 8 -3.4 0 0.0 18 -0.9 12 55
17 17 ILE I E E AAD - 7 34 -88.6 106.6 169.6 -170.4 26.5 142.7 34 -1.2 34 -0.9 0 0.0 0 0.0 11 46
18 18 ILE I E E AAD - 6 33 -88.8 150.1 176.4 -159.5 3.2 138.1 6 -2.7 6 -2.3 16 -0.9 0 0.0 14 56
19 19 ASN N E E AAD - 5 32 -129.7 141.4 173.1 -171.2 7.0 166.5 32 -3.2 32 -2.5 0 0.0 0 0.0 12 50
20 20 PHE F E E AAD - 4 31 -133.6 130.8 170.8 -175.4 2.7 173.6 4 -2.7 4 -2.9 0 0.0 0 0.0 13 56
21 21 GLU E E E A D + 0 30 -123.7 124.7 174.1 144.2 21.7 174.6 30 -2.8 30 -2.9 0 0.0 0 0.0 12 43
22 22 GLN Q + 0 0 -112.3 -65.9 -166.8 162.8 4.9 47.5 1 -2.2 24 -2.5 0 0.0 0 0.0 15 39
23 23 LYS K + 0 0 66.7 -61.0 -171.1 83.8 58.2 113.3 1 -1.8 0 0.0 0 0.0 0 0.0 10 32
24 24 GLU E S t > TS- 0 0 -77.7 137.2 178.7 -135.6 78.7 119.0 22 -2.5 27 -0.9 0 0.0 0 0.0 9 28
25 25 SER S T T 3 TS+ 0 0 -53.7 -42.6 -173.1 11.5 105.0 29.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
26 26 ASN N T T 3 TS+ 0 0 -133.3 34.4 179.3 115.7 105.0 98.7 0 0.0 0 0.0 0 0.0 0 0.0 6 24
27 27 GLY G S t < TS- 0 0 -99.1 174.7 174.4 -77.6 76.5 118.0 24 -0.9 29 -0.5 0 0.0 0 0.0 9 27
28 28 PRO P - 0 0 -71.8 118.8 172.5 -140.7 48.8 128.9 0 0.0 0 0.0 0 0.0 0 0.0 9 33
29 29 VAL V E E A E - 0 101 -70.9 152.1 164.2 -138.6 4.2 119.8 101 -3.0 101 -1.2 27 -0.5 0 0.0 14 41
30 30 LYS K E E ADE - 21 100 -108.3 128.9 177.7 -177.3 23.4 166.5 21 -2.9 21 -2.8 0 0.0 0 0.0 11 41
31 31 VAL V E E ADE + 20 99 -125.1 138.8 -179.5 146.7 13.9 166.6 99 -2.7 99 -3.0 0 0.0 0 0.0 13 57
32 32 TRP W E E ADE + 19 98 -160.5 169.4 178.2 153.0 7.9 162.6 19 -2.5 19 -3.2 0 0.0 0 0.0 11 46
33 33 GLY G E E ADE - 18 97 178.5 -171.2 -176.4 -122.6 31.9 166.7 97 -2.1 97 -1.5 0 0.0 0 0.0 12 53
34 34 SER S E E ADE - 17 96 -161.0 103.2 173.8 -157.5 18.5 144.6 17 -0.9 17 -1.2 0 0.0 0 0.0 11 48
35 35 ILE I E E AD - 16 0 -71.8 167.9 170.4 -162.5 2.1 111.0 95 -1.9 0 0.0 0 0.0 0 0.0 16 52
36 36 LYS K E E AD S+ 15 0 -154.2 95.2 168.1 34.2 71.1 134.6 15 -2.3 15 -1.6 0 0.0 0 0.0 12 43
37 37 GLY G S S S+ 0 0 140.6 10.9 167.2 115.7 77.4 64.5 93 -2.8 0 0.0 0 0.0 0 0.0 10 41
38 38 LEU L - 0 0 -73.5 177.1 160.9 -107.0 67.4 106.6 93 -2.0 0 0.0 0 0.0 0 0.0 12 47
39 39 THR T - 0 0 -89.0 166.0 172.3 -80.4 50.2 129.3 0 0.0 0 0.0 0 0.0 0 0.0 11 38
40 40 GLU E S S S+ 0 0 -55.6 157.2 168.0 48.3 89.2 98.1 0 0.0 0 0.0 0 0.0 0 0.0 11 29
41 41 GLY G E E BF S- 89 0 106.4 -175.7 -173.3 -23.3 95.6 113.2 89 -2.3 89 -2.8 0 0.0 0 0.0 9 34
42 42 LEU L E E BF - 88 0 -78.8 135.9 -179.6 -169.5 52.3 121.6 0 0.0 0 0.0 0 0.0 0 0.0 11 43
43 43 HIS H E E BF - 87 0 -126.6 119.9 174.9 -122.5 23.8 172.5 87 -2.8 87 -2.6 0 0.0 0 0.0 15 59
44 44 GLY G E E BF - 86 0 -57.0 142.4 -179.0 -166.8 29.2 109.2 122 -2.6 120 -2.5 0 0.0 0 0.0 16 66
45 45 PHE F E E B*G + 0 119 -138.6 121.6 -177.5 154.7 16.4 169.7 85 -2.5 84 -0.6 0 0.0 0 0.0 14 80
46 46 HIS H E E BFG - 83 118 -147.7 157.2 168.2 -111.6 48.9 172.0 118 -2.0 118 -2.2 0 0.0 48 -1.0 12 83
47 47 VAL V E E B G - 0 117 -84.1 98.8 171.6 -155.4 41.9 142.6 82 -1.4 64 -1.6 0 0.0 0 0.0 14 72
48 48 HIS H E E BAG - 63 116 -72.0 155.5 -172.0 -90.2 32.7 118.9 116 -3.0 116 -1.6 46 -1.0 0 0.0 14 61
49 49 GLU E S S S- 0 0 -34.0 -82.7 -178.8 -43.3 83.5 35.1 62 -2.8 0 0.0 0 0.0 0 0.0 13 46
50 50 GLU E S S S- 0 0 -148.9 -178.4 -170.3 -60.7 78.4 143.3 0 0.0 52 -2.7 0 0.0 61 -1.1 10 37
51 51 GLU E S S S+ 0 0 -75.4 68.6 -165.7 158.4 72.1 114.3 114 -0.6 53 -0.9 0 0.0 0 0.0 11 37
52 52 ASP D g > T + 0 0 -108.7 84.5 -178.3 179.4 22.6 140.2 50 -2.7 55 -1.9 0 0.0 60 -1.4 11 27
53 53 ASN N G G > TS+ 0 0 -51.9 -43.4 -179.7 67.4 79.1 28.7 51 -0.9 56 -2.7 0 0.0 0 0.0 10 27
54 54 THR T G G 3 TS+ 0 0 -53.7 -23.4 178.5 75.5 83.6 41.5 0 0.0 0 0.0 0 0.0 0 0.0 8 18
55 55 ALA A G G < TS- 0 0 -68.9 -13.5 168.4 -87.1 121.9 52.9 52 -1.9 0 0.0 0 0.0 0 0.0 9 28
56 56 GLY G S g < TS+ 0 0 153.5 -86.6 173.4 46.1 99.0 132.5 53 -2.7 0 0.0 0 0.0 0 0.0 8 30
57 57 CYS C S S S- 0 0 -71.0 179.3 178.3 -62.2 114.8 102.7 0 0.0 0 0.0 0 0.0 0 0.0 10 35
58 58 THR T S S S- 0 0 -35.0 -38.8 164.0 -15.9 125.0 46.8 0 0.0 0 0.0 0 0.0 0 0.0 10 37
59 59 SER S S S S+ 0 0 -168.2 125.7 176.5 134.7 79.1 131.3 0 0.0 0 0.0 0 0.0 0 0.0 15 40
60 60 ALA A - 0 0 -170.7 74.2 173.5 -179.1 22.2 103.0 52 -1.4 0 0.0 0 0.0 0 0.0 18 48
61 61 GLY G - 0 0 -57.3 -178.7 179.2 -65.2 48.7 81.0 50 -1.1 0 0.0 0 0.0 0 0.0 15 41
62 62 PRO P S S S- 0 0 -67.8 167.7 169.3 -66.7 73.9 101.0 0 0.0 49 -2.8 0 0.0 0 0.0 7 54
63 63 HIS H B B A - 48 0 -49.8 116.2 178.8 -110.3 64.5 117.0 0 0.0 0 0.0 0 0.0 0 0.0 13 60
64 64 PHE F + 0 0 -56.3 132.1 -171.2 176.0 44.4 108.1 47 -1.6 82 -0.7 0 0.0 0 0.0 11 52
65 65 ASN N + 0 0 -146.8 73.5 -172.6 159.6 15.9 125.5 0 0.0 0 0.0 0 0.0 0 0.0 10 38
66 66 PRO P S S S+ 0 0 -72.6 -35.8 179.6 40.8 85.8 30.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
67 67 LEU L S S S- 0 0 -89.1 -5.4 178.2 -125.5 109.3 61.4 0 0.0 0 0.0 0 0.0 0 0.0 6 23
68 68 SER S + 0 0 58.7 57.7 173.5 148.9 55.6 15.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25
69 69 ARG R - 0 0 -102.7 175.2 168.4 -93.9 50.8 124.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
70 70 LYS K - 0 0 -83.0 166.5 -175.4 -88.9 51.6 116.3 0 0.0 0 0.0 0 0.0 0 0.0 10 40
71 71 HIS H + 0 0 -72.7 155.2 164.1 117.7 63.2 112.2 135 -3.2 0 0.0 0 0.0 0 0.0 15 48
72 72 GLY G - 0 0 -174.6 -141.9 177.0 -78.0 53.4 150.0 0 0.0 0 0.0 0 0.0 0 0.0 19 48
73 73 GLY G t > T - 0 0 -129.4 -178.4 -177.8 -81.2 52.9 136.3 0 0.0 76 -2.1 0 0.0 0 0.0 13 46
74 74 PRO P T T 3 TS+ 0 0 -57.7 -32.9 -178.1 49.5 128.9 35.0 0 0.0 0 0.0 0 0.0 0 0.0 8 41
75 75 LYS K T T 3 TS+ 0 0 -89.8 5.0 -179.3 96.0 95.4 68.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
76 76 ASP D S t < TS- 0 0 -96.4 161.0 175.3 -133.7 73.6 126.4 73 -2.1 0 0.0 0 0.0 0 0.0 8 30
77 77 GLU E S S S+ 0 0 -71.2 -39.9 -179.2 51.9 103.5 32.6 0 0.0 79 -0.7 0 0.0 0 0.0 5 25
78 78 GLU E S S S+ 0 0 -106.0 108.2 179.6 144.3 73.9 157.5 0 0.0 0 0.0 0 0.0 0 0.0 10 36
79 79 ARG R - 0 0 -145.4 131.8 173.5 -131.3 41.4 168.4 77 -0.7 0 0.0 0 0.0 0 0.0 13 45
80 80 HIS H t > T - 0 0 -73.9 171.9 -177.6 -90.7 41.5 108.7 0 0.0 83 -1.7 0 0.0 0 0.0 15 50
81 81 VAL V T T 3 TS+ 0 0 -50.5 -48.7 -174.3 30.8 126.1 28.4 0 0.0 0 0.0 0 0.0 0 0.0 11 51
82 82 GLY G T e 3 TS+ 0 0 -110.1 38.8 178.6 135.3 78.1 100.1 64 -0.7 84 -1.5 0 0.0 47 -1.4 12 69
83 83 ASP D E E BF < T + 46 0 -88.5 75.1 177.1 162.3 14.5 122.9 80 -1.7 85 -1.1 0 0.0 0 0.0 14 62
84 84 LEU L E E B* - 0 0 -83.9 44.2 -171.4 -141.4 41.1 101.6 82 -1.5 0 0.0 45 -0.6 0 0.0 10 65
85 85 GLY G E E B* - 0 0 27.0 -107.8 -177.4 -43.7 46.5 89.6 83 -1.1 45 -2.5 0 0.0 0 0.0 12 59
86 86 ASN N E E BF - 44 0 -141.3 162.9 173.3 -141.4 45.1 154.6 0 0.0 0 0.0 0 0.0 0 0.0 11 63
87 87 VAL V E E BF - 43 0 -116.4 176.3 -178.3 -114.9 24.9 134.6 43 -2.6 43 -2.8 0 0.0 0 0.0 12 57
88 88 THR T E E BF - 42 0 -121.8 122.9 173.9 -150.5 20.7 166.5 0 0.0 0 0.0 0 0.0 0 0.0 11 40
89 89 ALA A E E BF - 41 0 -92.4 140.4 175.5 -126.2 17.9 142.0 41 -2.8 41 -2.3 0 0.0 0 0.0 16 39
90 90 ASP D t > T - 0 0 -67.1 170.6 166.3 -92.4 35.0 97.7 94 -2.9 93 -2.3 0 0.0 0 0.0 10 27
91 91 LYS K T T 3 TS+ 0 0 -55.3 -19.7 177.8 56.5 130.9 52.7 0 0.0 0 0.0 0 0.0 0 0.0 7 19
92 92 ASP D T T 3 TS- 0 0 -98.6 1.5 173.7 -108.8 122.4 70.3 0 0.0 0 0.0 0 0.0 0 0.0 9 22
93 93 GLY G S t < TS+ 0 0 77.7 31.1 178.4 133.1 76.1 36.5 90 -2.3 37 -2.8 0 0.0 38 -2.0 12 36
94 94 VAL V - 0 0 -113.7 122.0 174.2 -166.0 37.7 165.5 0 0.0 90 -2.9 0 0.0 96 -0.6 14 40
95 95 ALA A e - 0 0 -111.6 105.4 176.1 -158.2 7.7 161.2 0 0.0 35 -1.9 0 0.0 97 -0.8 13 48
96 96 ASP D E E AE - 34 0 -83.6 109.4 179.2 -158.3 12.6 140.6 94 -0.6 0 0.0 0 0.0 0 0.0 11 43
97 97 VAL V E E AE + 33 0 -87.4 148.8 175.9 162.1 22.1 131.1 33 -1.5 33 -2.1 95 -0.8 0 0.0 11 49
98 98 SER S E E AE + 32 0 -168.9 95.6 178.2 119.7 22.6 123.4 0 0.0 0 0.0 0 0.0 0 0.0 8 34
99 99 ILE I E E AE - 31 0 -146.0 -174.8 -177.0 -136.1 42.1 141.7 31 -3.0 31 -2.7 0 0.0 0 0.0 7 35
100 100 GLU E E E AE - 30 0 -150.5 149.0 -178.5 -175.2 16.4 166.3 0 0.0 0 0.0 0 0.0 0 0.0 8 41
101 101 ASP D E E AE - 29 0 -147.7 160.7 -178.9 -162.0 21.8 163.4 29 -1.2 29 -3.0 0 0.0 0 0.0 9 41
102 102 SER S S S S+ 0 0 -128.0 5.7 179.1 80.3 77.3 77.4 0 0.0 0 0.0 0 0.0 0 0.0 9 35
103 103 VAL V S S S+ 0 0 -79.4 -47.5 -177.8 50.0 92.0 25.9 0 0.0 0 0.0 0 0.0 0 0.0 6 44
104 104 ILE I - 0 0 -76.2 -169.3 175.3 -156.5 65.8 85.8 0 0.0 0 0.0 0 0.0 0 0.0 12 49
105 105 SER S - 0 0 -148.0 -19.5 176.6 -147.7 13.1 60.1 110 -2.6 0 0.0 0 0.0 0 0.0 16 39
106 106 LEU L S S S+ 0 0 66.9 -4.3 -168.8 32.3 98.5 60.1 110 -1.9 0 0.0 0 0.0 0 0.0 14 46
107 107 SER S S S S+ 0 0 170.7 85.9 -171.8 41.5 114.1 111.5 0 0.0 0 0.0 0 0.0 0 0.0 12 34
108 108 GLY G S t > TS- 0 0 150.5 -165.5 179.6 -31.6 117.0 156.1 0 0.0 111 -2.1 0 0.0 0 0.0 7 25
109 109 ASP D T T 3 TS+ 0 0 -47.0 -53.4 176.6 44.9 141.5 24.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
110 110 HIS H T T 3 TS+ 0 0 -94.5 45.6 154.8 164.5 77.5 102.7 0 0.0 105 -2.6 0 0.0 106 -1.9 9 41
111 111 SER S t < T - 0 0 -46.1 109.2 170.1 -167.1 21.4 121.5 108 -2.1 0 0.0 0 0.0 0 0.0 10 47
112 112 ILE I t > T + 0 0 -82.2 -9.5 169.8 115.1 54.9 57.1 0 0.0 115 -2.5 0 0.0 0 0.0 10 60
113 113 ILE I T T 3 TS+ 0 0 -56.8 121.5 179.9 25.6 81.0 119.8 0 0.0 0 0.0 0 0.0 0 0.0 10 45
114 114 GLY G T T 3 TS+ 0 0 106.1 -17.2 -175.9 123.8 97.1 83.5 149 -3.0 51 -0.6 0 0.0 0 0.0 10 44
115 115 ARG R t < T - 0 0 -76.8 174.8 -169.3 -113.6 64.1 99.3 112 -2.5 149 -3.0 0 0.0 117 -0.6 13 54
116 116 THR T E E BG - 48 0 -118.9 99.0 -176.9 -164.1 24.5 154.6 48 -1.6 48 -3.0 0 0.0 118 -0.5 17 59
117 117 LEU L E E BG + 47 0 -91.5 122.3 -169.4 178.2 17.9 141.8 115 -0.6 0 0.0 0 0.0 0 0.0 15 73
118 118 VAL V E E BG - 46 0 -132.5 142.2 175.9 -144.9 21.5 163.4 46 -2.2 46 -2.0 116 -0.5 0 0.0 14 76
119 119 VAL V E E BGB - 45 145 -105.1 149.4 -178.2 -144.1 17.3 144.0 145 -2.2 145 -0.6 0 0.0 0 0.0 12 76
120 120 HIS H e - 0 0 -113.2 153.2 177.6 -125.9 16.5 142.7 44 -2.5 0 0.0 0 0.0 0 0.0 15 67
121 121 GLU E S S S+ 0 0 -57.8 -58.6 -170.4 41.3 91.0 16.1 142 -2.8 0 0.0 0 0.0 0 0.0 13 50
122 122 LYS K S S S- 0 0 -92.8 173.2 174.9 -80.1 99.1 107.8 140 -3.0 44 -2.6 0 0.0 0 0.0 12 40
123 123 ALA A - 0 0 -65.8 141.2 162.2 -105.7 48.1 117.0 0 0.0 0 0.0 0 0.0 0 0.0 14 44
124 124 ASP D - 0 0 -60.5 128.0 177.0 -142.0 23.8 126.8 0 0.0 0 0.0 0 0.0 0 0.0 17 53
125 125 ASP D t > T - 0 0 -79.5 14.6 179.7 -112.5 37.6 83.1 138 -1.5 128 -1.9 0 0.0 0 0.0 11 47
126 126 LEU L T T 3 T - 0 0 50.3 38.9 -179.7 -81.3 58.8 27.9 0 0.0 0 0.0 0 0.0 0 0.0 13 45
127 127 GLY G T T 3 TS+ 0 0 36.8 40.0 -179.0 115.1 108.8 46.9 0 0.0 0 0.0 0 0.0 0 0.0 17 46
128 128 LYS K t < T + 0 0 -112.0 6.0 -175.0 108.9 31.5 71.4 125 -1.9 0 0.0 0 0.0 0 0.0 10 33
129 129 GLY G S S S- 0 0 -67.0 -2.8 177.2 -125.8 83.1 62.6 0 0.0 0 0.0 0 0.0 0 0.0 10 27
130 130 GLY G S S S+ 0 0 62.2 33.4 179.6 99.2 79.1 35.1 0 0.0 0 0.0 0 0.0 0 0.0 7 20
131 131 ASN N S h > TS- 0 0 -151.2 133.2 177.8 -118.3 82.1 162.6 0 0.0 135 -3.2 0 0.0 0 0.0 7 20
132 132 GLU E H H > TS+ 0 0 -31.3 -67.6 -177.6 52.2 112.7 35.2 0 0.0 136 -1.0 0 0.0 0 0.0 6 27
133 133 GLN Q H H > > TS+ 0 0 -42.0 -67.1 167.0 36.7 118.3 26.6 0 0.0 137 -2.5 0 0.0 136 -1.3 8 29
134 134 SER S H H > 3 TS+ 0 0 -43.0 -57.7 -174.6 51.8 117.0 22.2 0 0.0 138 -2.2 0 0.0 0 0.0 16 40
135 135 THR T H H < 3 TS+ 0 0 -72.4 0.3 173.8 37.3 120.2 60.9 131 -3.2 71 -3.2 0 0.0 0 0.0 16 37
136 136 LYS K H H < < TS+ 0 0 -112.8 -32.5 -170.6 8.4 139.4 53.8 133 -1.3 0 0.0 132 -1.0 0 0.0 11 50
137 137 THR T H H < TS- 0 0 -125.7 -28.9 -170.9 -107.5 94.7 50.1 133 -2.5 0 0.0 0 0.0 0 0.0 11 57
138 138 GLY G h < T - 0 0 96.5 14.1 176.9 -93.1 55.6 58.5 134 -2.2 125 -1.5 0 0.0 0 0.0 17 53
139 139 ASN N S S S+ 0 0 55.9 26.8 -168.7 151.1 79.9 38.4 0 0.0 0 0.0 0 0.0 0 0.0 14 40
140 140 ALA A - 0 0 -78.2 -0.5 176.3 -141.8 43.2 61.6 0 0.0 122 -3.0 0 0.0 0 0.0 14 50
141 141 GLY G - 0 0 73.2 -167.8 -176.8 -3.1 48.9 100.4 0 0.0 0 0.0 0 0.0 0 0.0 7 41
142 142 SER S S S S- 0 0 -61.1 156.8 -171.7 -104.7 75.9 94.7 0 0.0 121 -2.8 0 0.0 144 -0.9 7 44
143 143 ARG R - 0 0 -92.2 99.6 -178.8 -167.7 26.1 140.7 0 0.0 0 0.0 0 0.0 0 0.0 11 54
144 144 LEU L S e S+ 0 0 -53.0 -51.2 174.7 6.3 78.0 22.4 142 -0.9 11 -0.7 0 0.0 0 0.0 12 52
145 145 ALA A E E ACB - 10 119 -135.5 156.8 -175.3 -165.7 67.0 162.5 119 -0.6 119 -2.2 0 0.0 0 0.0 13 57
146 146 CYS C E E AC + 9 0 -132.6 168.4 -176.4 162.7 14.5 139.6 9 -2.9 9 -2.9 0 0.0 0 0.0 16 59
147 147 GLY G - 0 0 -179.8 171.5 -177.4 -110.2 31.0 166.7 0 0.0 0 0.0 0 0.0 0 0.0 14 59
148 148 VAL V e - 0 0 -125.0 141.6 -179.7 -125.9 25.6 159.5 0 0.0 7 -0.6 0 0.0 0 0.0 13 52
149 149 ILE I E E AB + 6 0 -90.6 126.8 -176.5 148.6 45.8 142.8 115 -3.0 114 -3.0 0 0.0 0 0.0 14 58
150 150 GLY G E E AB - 5 0 -144.3 -174.9 179.3 -60.4 49.9 138.3 5 -3.1 5 -2.5 0 0.0 0 0.0 10 41
151 151 ILE I E E AB - 4 0 -74.8 140.0 172.0 -109.0 56.1 123.2 0 0.0 153 -0.7 0 0.0 0 0.0 9 32
152 152 ALA A e 0 0 -71.1 112.5 166.8 999.9 999.9 130.6 3 -2.6 0 0.0 0 0.0 0 0.0 7 31
153 153 GLN Q 0 0 -158.1 999.9 999.9 999.9 999.9 150.7 151 -0.7 0 0.0 0 0.0 0 0.0 2 18
1ba9-.pdb
1BA9 OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SEEEEEEESSS EEEEEEE STTS EEEEEEEES SEEEEEEEESSS GGGSSSS SB SS TTSSS TTEEEEEEE TTS EEEEE Kabs/Sand
chirality ++----+--+-++------+++-++----++---++--+----+-----++++-+--+----+++-+--+--++-++--+++-------+-+---++-- chirality
bends S SSS SSSS SS SS SSS SSSSSSS S SS SSSSS SS SSS bends
turns TTTT TTTTT TTTT TTTT TTTT turns
5-turns 5-turns
3-turns >33< >>3<< >33< >33< >33< 3-turns
bridge-2 BBB CC DDDDDDD EEEEEE GGGG bridge-2
bridge-1 AAAAAA AAAAAA DDDDDDD FFFF*F A A F**FFFF EEEEE bridge-1
sheets AAAAAAA AAAAAAA AAAAAAAA BBBBBBBB BBBBBBB AAAAA sheets
4-turns 4-turns
summary eEEEEEEEeSSeEEEEEEE tTTt EEEEEEEES SEEEEEEEESSSgGGGgSSS SB SS tTTtSS tTeEEEEEEEtTTt eEEEEE summary
sequence ATKAVAVLKGDGPVQGIINFEQKESNGPVKVWGSIKGLTEGLHGFHVHEEEDNTAGCTSAGPHFNPLSRKHGGPKDEERHVGDLGNVTADKDGVADVSIE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand ESS SSSTT TT EEEE SS TT SSSHHHHHH S S SEE EEE Kabs/Sand
chirality -++--++-++-+++--+---+-----++-+-+++++--+----+-+--+-- chirality
bends SS SSSSS SS SS S SSSSSSSSS S S S bends
turns TTTTTTTT TTTT TTTTTTTT turns
5-turns 5-turns
3-turns >33<>33< >33< >33< 3-turns
bridge-2 B B bridge-2
bridge-1 E GGGG CC BBB bridge-1
sheets A BBBB AA AAA sheets
4-turns >>>><<<< 4-turns
summary ESS SStTTttTTtEEEEeSS tTTtSShHHHHHHhS S eEE eEEEe summary
sequence DSVISLSGDHSIIGRTLVVHEKADDLGKGGNEQSTKTGNAGSRLACGVIGIAQ sequence
110 120 130 140 150