Secondary structure calculation program - copyright by David Keith Smith, 1989
1uxy-.pdb
1UXY OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 340
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 3 HIS H 0 0 999.9 -38.2 -177.5 999.9 999.9 999.9 0 0.0 15 -2.3 0 0.0 0 0.0 7 28
2 4 SER S B B A - 14 0 -73.6 132.6 178.1 -166.0 999.9 118.8 0 0.0 0 0.0 0 0.0 0 0.0 8 35
3 5 LEU L g > T + 0 0 -87.8 -6.7 -177.6 99.9 67.2 58.2 13 -3.2 6 -1.4 0 0.0 0 0.0 12 50
4 6 LYS K G G > TS+ 0 0 -49.4 -48.0 -180.0 46.9 81.5 29.7 0 0.0 7 -1.1 0 0.0 0 0.0 11 47
5 7 PRO P G G 3 TS+ 0 0 -67.0 -20.3 -175.1 57.6 110.8 42.0 0 0.0 0 0.0 0 0.0 0 0.0 7 41
6 8 TRP W G G < TS+ 0 0 -96.1 2.8 177.7 56.7 98.2 70.7 3 -1.4 0 0.0 0 0.0 0 0.0 10 51
7 9 ASN N S g X TS- 0 0 -136.0 130.9 -178.1 -139.7 71.5 175.3 4 -1.1 10 -1.6 0 0.0 0 0.0 14 60
8 10 THR T T T 3 TS+ 0 0 -61.4 -21.9 178.9 68.0 100.6 44.9 47 -1.5 224 -0.8 0 0.0 0 0.0 16 55
9 11 PHE F T T 3 TS- 0 0 -69.3 -23.4 179.8 -131.4 103.4 40.1 0 0.0 0 0.0 0 0.0 0 0.0 15 63
10 12 GLY G t < T + 0 0 79.5 20.6 179.4 168.8 43.3 42.4 7 -1.6 0 0.0 0 0.0 0 0.0 13 51
11 13 ILE I - 0 0 -69.6 129.3 -178.2 -139.6 29.0 120.7 0 0.0 13 -0.9 0 0.0 0 0.0 14 55
12 14 ASP D + 0 0 -99.3 103.7 176.4 128.4 47.1 145.6 0 0.0 0 0.0 0 0.0 0 0.0 9 45
13 15 HIS H - 0 0 -140.6 170.1 -177.9 -114.1 49.6 152.2 11 -0.9 3 -3.2 0 0.0 0 0.0 12 43
14 16 ASN N B e A - 2 0 -113.4 155.9 177.2 -160.5 16.0 140.5 0 0.0 56 -3.4 0 0.0 0 0.0 10 40
15 17 ALA A E E Aa - 56 0 -126.7 153.6 179.6 -120.6 31.0 156.4 1 -2.3 0 0.0 0 0.0 0 0.0 14 44
16 18 GLN Q E E A* S- 0 0 -62.6 -38.7 178.1 -3.7 96.9 24.8 58 -1.6 0 0.0 56 -0.7 0 0.0 9 40
17 19 HIS H E E Aa - 59 0 -152.0 147.4 177.8 -158.1 59.9 171.5 58 -1.3 60 -2.8 0 0.0 0 0.0 8 42
18 20 ILE I E E Aa - 60 0 -128.3 127.4 -177.9 -176.8 19.7 175.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
19 21 VAL V E E Aa - 61 0 -133.2 130.9 177.1 -142.4 22.1 175.1 60 -3.1 62 -3.0 0 0.0 21 -0.7 9 48
20 22 CYS C E E Aa - 62 0 -90.8 111.4 178.7 -155.6 15.9 147.5 0 0.0 22 -0.7 0 0.0 0 0.0 9 45
21 23 ALA A E E Aa - 63 0 -88.9 113.2 179.6 -177.7 13.1 141.5 62 -2.4 64 -2.6 19 -0.7 0 0.0 13 45
22 24 GLU E S S S+ 0 0 -82.7 -16.8 178.4 14.2 73.1 53.5 20 -0.7 66 -0.6 0 0.0 0 0.0 10 38
23 25 ASP D S h > TS- 0 0 -150.3 172.8 -176.8 -96.6 86.6 163.4 0 0.0 27 -2.3 0 0.0 0 0.0 9 39
24 26 GLU E H H > TS+ 0 0 -61.2 -44.5 -178.8 53.9 118.8 29.5 0 0.0 28 -3.4 0 0.0 0 0.0 10 47
25 27 GLN Q H H > TS+ 0 0 -59.1 -42.5 179.1 48.9 110.3 23.1 0 0.0 29 -2.8 0 0.0 0 0.0 6 39
26 28 GLN Q H H > TS+ 0 0 -61.6 -49.3 179.9 46.0 113.3 20.0 0 0.0 30 -2.9 0 0.0 0 0.0 9 37
27 29 LEU L H H X TS+ 0 0 -57.4 -53.8 179.9 46.6 114.9 17.2 23 -2.3 31 -2.8 0 0.0 0 0.0 13 53
28 30 LEU L H H X TS+ 0 0 -56.7 -42.0 179.9 49.2 113.9 28.0 24 -3.4 32 -2.9 0 0.0 0 0.0 11 48
29 31 ASN N H H X TS+ 0 0 -66.1 -42.8 179.3 49.6 110.3 25.4 25 -2.8 33 -2.7 0 0.0 0 0.0 8 41
30 32 ALA A H H X TS+ 0 0 -61.8 -42.8 179.8 47.7 113.9 21.8 26 -2.9 34 -2.6 0 0.0 0 0.0 11 46
31 33 TRP W H H X TS+ 0 0 -63.0 -50.5 -178.8 47.9 112.0 18.2 27 -2.8 35 -2.8 0 0.0 0 0.0 12 51
32 34 GLN Q H H X TS+ 0 0 -57.4 -44.7 -179.7 48.1 113.9 24.0 28 -2.9 36 -1.9 0 0.0 0 0.0 10 37
33 35 TYR Y H H X TS+ 0 0 -62.2 -53.3 -179.8 44.8 114.1 17.1 29 -2.7 37 -1.6 0 0.0 0 0.0 8 33
34 36 ALA A H H < >TS+ 0 0 -58.4 -53.0 -179.4 45.3 115.5 17.8 30 -2.6 39 -2.2 0 0.0 0 0.0 13 37
35 37 THR T H H < >5TS+ 0 0 -63.3 -29.8 177.7 57.5 109.0 35.6 31 -2.8 38 -1.4 0 0.0 0 0.0 10 37
36 38 ALA A H H < 35TS+ 0 0 -67.6 -33.9 178.3 52.4 103.8 31.8 32 -1.9 0 0.0 0 0.0 0 0.0 7 22
37 39 GLU E T h < 35TS- 0 0 -84.1 15.5 178.7 -111.2 125.8 78.7 33 -1.6 0 0.0 0 0.0 0 0.0 6 19
38 40 GLY G T T <5TS+ 0 0 69.0 10.4 -179.8 130.6 74.7 57.1 35 -1.4 0 0.0 0 0.0 0 0.0 6 23
39 41 GLN Q t T + 0 0 59.9 32.6 -179.2 139.9 67.9 35.3 0 0.0 8 -1.5 0 0.0 50 -0.6 10 64
48 50 SER S T T 3 TS+ 0 0 -89.1 6.8 178.7 40.0 70.5 67.1 0 0.0 0 0.0 0 0.0 0 0.0 13 62
49 51 ASN N T e 3 TS+ 0 0 -137.6 22.0 -178.4 92.2 96.9 81.7 0 0.0 325 -3.2 0 0.0 0 0.0 11 67
50 52 VAL V E E Bc < T - 325 0 -124.1 146.7 177.0 -160.9 49.6 154.5 47 -0.6 52 -0.5 0 0.0 0 0.0 12 73
51 53 LEU L E E Bc - 326 0 -123.0 108.2 177.9 -147.1 17.1 166.2 325 -3.2 327 -3.0 0 0.0 53 -0.5 13 72
52 54 PHE F E E Bc - 327 0 -75.2 123.6 -177.5 -168.9 11.0 133.6 50 -0.5 0 0.0 0 0.0 0 0.0 12 65
53 55 LEU L e - 0 0 -85.4 -24.8 -178.0 -20.1 64.9 38.1 327 -3.2 0 0.0 51 -0.5 0 0.0 11 54
54 56 GLU E S S S- 0 0 -165.3 -179.1 178.6 -42.1 99.3 150.7 327 -0.7 0 0.0 0 0.0 0 0.0 10 42
55 57 ASP D - 0 0 -60.0 139.4 -179.4 -126.3 59.7 112.3 0 0.0 57 -0.5 0 0.0 0 0.0 10 40
56 58 TYR Y E E Aa - 15 0 -93.6 126.8 -178.1 -151.0 9.7 144.4 14 -3.4 16 -0.7 0 0.0 0 0.0 15 46
57 59 ARG R E E A* S+ 0 0 -79.2 4.0 -179.4 44.6 73.1 64.4 329 -2.7 0 0.0 55 -0.5 0 0.0 10 37
58 60 GLY G E E A* S- 0 0 -125.3 -151.6 -179.7 -60.0 95.0 107.4 0 0.0 16 -1.6 0 0.0 17 -1.3 14 42
59 61 THR T E E Aab - 17 41 -105.4 135.5 177.7 -153.7 32.1 148.1 40 -2.3 42 -2.6 0 0.0 61 -0.6 16 51
60 62 VAL V E E Aab - 18 42 -109.8 118.8 179.5 -159.3 9.9 158.9 17 -2.8 19 -3.1 0 0.0 62 -0.6 12 60
61 63 ILE I E E Aab - 19 43 -101.7 119.0 177.4 -148.5 7.5 156.2 42 -3.2 44 -3.1 59 -0.6 63 -0.6 15 62
62 64 ILE I E E Aab - 20 44 -86.7 117.6 -178.0 -133.2 20.0 145.2 19 -3.0 21 -2.4 60 -0.6 64 -0.8 13 57
63 65 ASN N E E Aa + 21 0 -80.3 108.8 -179.6 157.2 41.1 134.0 44 -3.5 0 0.0 61 -0.6 0 0.0 14 59
64 66 ARG R e + 0 0 -122.0 32.9 179.4 144.3 15.6 97.1 21 -2.6 66 -1.0 62 -0.8 0 0.0 12 47
65 67 ILE I - 0 0 -75.6 103.8 -177.0 -177.5 34.0 130.9 0 0.0 84 -2.8 0 0.0 85 -0.6 14 47
66 68 LYS K + 0 0 -112.7 163.5 -179.7 90.7 23.3 134.3 64 -1.0 0 0.0 22 -0.6 0 0.0 11 44
67 69 GLY G e - 0 0 133.7 152.7 178.4 -139.3 42.9 119.2 0 0.0 82 -3.1 0 0.0 0 0.0 7 36
68 70 ILE I E E CD - 81 0 -141.8 139.8 177.7 -168.7 10.8 172.8 0 0.0 0 0.0 0 0.0 0 0.0 8 42
69 71 GLU E E E CD - 80 0 -125.7 149.8 180.0 -148.4 11.3 166.0 80 -1.6 80 -2.1 0 0.0 71 -0.5 7 33
70 72 ILE I E E CD - 79 0 -125.9 120.6 179.5 -166.6 8.7 169.2 0 0.0 0 0.0 0 0.0 0 0.0 8 36
71 73 HIS H E E CD - 78 0 -104.5 132.1 -179.5 -134.6 18.4 156.1 78 -3.4 78 -2.9 69 -0.5 73 -0.5 8 26
72 74 ASP D E E CD + 77 0 -95.4 128.1 178.0 174.0 25.9 144.2 0 0.0 0 0.0 0 0.0 0 0.0 7 24
73 75 GLU E e - 0 0 -124.4 151.0 -179.4 -114.4 42.0 157.5 76 -2.0 0 0.0 71 -0.5 0 0.0 7 20
74 76 PRO P S S S+ 0 0 -48.8 -49.5 -177.9 32.4 116.8 26.8 0 0.0 0 0.0 0 0.0 0 0.0 5 16
75 77 ASP D S e S+ 0 0 -84.4 -20.3 -176.1 1.6 128.1 52.8 0 0.0 180 -2.5 0 0.0 181 -0.6 7 22
76 78 ALA A E E C E - 0 179 -167.0 168.3 178.5 -100.1 63.9 176.7 0 0.0 73 -2.0 0 0.0 0 0.0 11 31
77 79 TRP W E E CDE - 72 178 -95.2 135.0 178.1 -152.5 30.3 140.4 178 -3.0 178 -2.8 0 0.0 79 -0.6 14 39
78 80 TYR Y E E CDE - 71 177 -115.2 118.6 -179.1 -164.8 10.6 163.7 71 -2.9 71 -3.4 0 0.0 0 0.0 13 43
79 81 LEU L E E CDE - 70 176 -106.1 131.0 177.1 -165.3 10.8 149.7 176 -3.1 176 -2.5 77 -0.6 81 -0.6 13 55
80 82 HIS H E E CDE - 69 175 -115.5 104.7 -175.2 -171.3 22.4 164.6 69 -2.1 69 -1.6 0 0.0 0 0.0 12 49
81 83 VAL V E E CDE - 68 174 -110.2 127.5 178.4 -117.8 24.0 153.4 174 -3.4 174 -2.6 79 -0.6 0 0.0 14 55
82 84 GLY G E E C E> T - 0 173 -56.0 143.0 -178.2 -122.1 26.6 105.1 67 -3.1 85 -2.0 0 0.0 0 0.0 14 56
83 85 ALA A T e 3 TS+ 0 0 -58.5 -31.4 -178.1 59.5 109.7 38.1 172 -2.6 113 -2.9 0 0.0 0 0.0 17 61
84 86 GLY G T T 3 TS+ 0 0 -78.9 -4.5 -179.9 117.2 77.8 61.6 65 -2.8 0 0.0 0 0.0 0 0.0 13 54
85 87 GLU E S t < TS- 0 0 -65.4 138.5 179.0 -112.6 74.4 111.5 82 -2.0 112 -2.9 65 -0.6 0 0.0 15 51
86 88 ASN N B h > B T - 111 0 -74.3 126.4 -178.3 -143.9 23.1 130.7 0 0.0 90 -2.2 0 0.0 0 0.0 10 47
87 89 TRP W H H > TS+ 0 0 -57.4 -55.0 -179.0 46.1 95.7 20.3 110 -2.7 91 -2.3 0 0.0 0 0.0 13 61
88 90 HIS H H H > TS+ 0 0 -58.1 -39.7 179.1 52.3 112.0 28.9 0 0.0 92 -2.4 0 0.0 0 0.0 12 48
89 91 ARG R H H > TS+ 0 0 -63.1 -37.2 178.6 52.0 108.6 23.9 0 0.0 93 -2.5 0 0.0 0 0.0 8 41
90 92 LEU L H H X TS+ 0 0 -64.4 -41.4 -180.0 52.5 107.4 25.0 86 -2.2 94 -2.9 0 0.0 0 0.0 9 57
91 93 VAL V H H X TS+ 0 0 -59.6 -49.9 -179.9 44.5 111.8 17.0 87 -2.3 95 -2.3 0 0.0 0 0.0 13 58
92 94 LYS K H H X TS+ 0 0 -61.7 -38.5 -179.6 52.8 113.6 26.6 88 -2.4 96 -3.1 0 0.0 0 0.0 9 41
93 95 TYR Y H H X TS+ 0 0 -61.8 -51.9 179.8 47.6 108.3 19.3 89 -2.5 97 -2.9 0 0.0 0 0.0 8 39
94 96 THR T H H < >TS+ 0 0 -57.5 -43.7 179.2 46.8 114.8 21.7 90 -2.9 99 -2.9 0 0.0 0 0.0 11 48
95 97 LEU L H H < >5TS+ 0 0 -63.6 -44.7 -179.9 51.6 111.5 17.5 91 -2.3 98 -2.0 0 0.0 0 0.0 13 42
96 98 GLN Q H H < 35TS+ 0 0 -56.9 -42.9 -179.2 50.1 110.2 26.3 92 -3.1 0 0.0 0 0.0 0 0.0 7 26
97 99 GLU E T h < 35TS- 0 0 -79.5 3.9 178.9 -108.0 120.1 68.3 93 -2.9 0 0.0 0 0.0 0 0.0 6 30
98 100 GLY G T T <5TS+ 0 0 74.4 29.2 178.9 122.1 83.8 36.7 95 -2.0 0 0.0 0 0.0 0 0.0 6 33
99 101 MET M t T + 0 0 -105.5 -1.6 -177.6 105.9 64.4 62.0 0 0.0 105 -2.2 0 0.0 0 0.0 11 68
103 105 GLU E G G > TS+ 0 0 -50.1 -35.8 179.9 57.7 73.3 40.9 0 0.0 106 -1.4 0 0.0 0 0.0 13 60
104 106 ASN N G G 3 TS+ 0 0 -71.3 -16.6 -179.2 53.8 105.1 45.2 0 0.0 0 0.0 0 0.0 0 0.0 13 61
105 107 LEU L G G X TS+ 0 0 -101.6 18.1 179.7 139.9 82.9 83.2 102 -2.2 108 -1.2 0 0.0 0 0.0 15 64
106 108 ALA A T g < T + 0 0 -63.7 146.5 175.5 10.3 65.4 104.6 103 -1.4 0 0.0 0 0.0 0 0.0 12 55
107 109 LEU L T T 3 TS+ 0 0 65.3 6.5 177.5 144.5 79.9 61.0 0 0.0 0 0.0 0 0.0 0 0.0 9 53
108 110 ILE I t < T - 0 0 -75.1 123.7 -179.5 -123.9 51.2 132.0 105 -1.2 0 0.0 0 0.0 0 0.0 8 61
109 111 PRO P + 0 0 -65.6 162.0 177.4 60.8 61.5 101.6 0 0.0 0 0.0 0 0.0 0 0.0 9 60
110 112 GLY G S S S- 0 0 112.9 170.6 178.2 -62.8 80.1 111.4 0 0.0 87 -2.7 0 0.0 0 0.0 13 61
111 113 CYS C B B > B > T - 86 0 -90.8 157.8 -179.8 -114.9 43.1 123.8 0 0.0 114 -0.9 0 0.0 115 -0.8 13 61
112 114 VAL V G G 4 > TS+ 0 0 -61.4 -33.1 -179.7 64.3 113.8 29.8 85 -2.9 115 -0.8 0 0.0 0 0.0 16 67
113 115 GLY G G G 4 3 TS+ 0 0 -61.7 -29.4 -179.3 46.0 103.2 36.0 83 -2.9 0 0.0 0 0.0 0 0.0 16 74
114 116 SER S G G > < TS+ 0 0 -88.0 -15.5 -178.5 88.9 89.2 49.6 111 -0.9 118 -1.0 0 0.0 0 0.0 12 70
115 117 SER S T g < <>TS+ 0 0 -53.5 -39.2 179.9 44.5 89.5 36.7 111 -0.8 120 -2.3 112 -0.8 0 0.0 12 76
116 118 PRO P T T 4 >5TS+ 0 0 -74.8 -32.5 -176.1 75.3 98.0 32.4 0 0.0 119 -1.3 0 0.0 0 0.0 17 68
117 119 ILE I T T 4 35TS+ 0 0 -48.0 -52.1 175.4 13.3 117.8 30.6 0 0.0 0 0.0 0 0.0 0 0.0 13 68
118 120 GLN Q T T < 35TS- 0 0 -114.4 26.0 176.0 -116.4 107.0 87.8 114 -1.0 0 0.0 0 0.0 0 0.0 13 60
119 121 ASN N T T <5T - 0 0 41.1 64.9 -177.1 -126.9 37.2 24.3 116 -1.3 0 0.0 0 0.0 0 0.0 15 58
120 122 ILE I e T + 125 0 -172.2 153.2 176.2 22.4 62.9 159.4 125 -2.1 125 -1.7 0 0.0 0 0.0 8 56
123 125 TYR Y T T 3 TS- 0 0 47.9 51.2 176.6 -45.2 131.6 31.6 0 0.0 0 0.0 0 0.0 0 0.0 12 47
124 126 GLY G T T 3 TS+ 0 0 78.1 6.9 -179.8 92.1 119.3 61.2 0 0.0 0 0.0 0 0.0 0 0.0 10 40
125 127 VAL V E E DF < T - 122 0 -135.2 145.7 176.5 -171.7 47.0 166.0 122 -1.7 122 -2.1 0 0.0 0 0.0 10 46
126 128 GLU E E E DF > T - 121 0 -127.4 157.8 -178.9 -107.1 41.8 155.4 0 0.0 129 -2.1 0 0.0 0 0.0 11 48
127 129 LEU L G e > > TS+ 0 0 -55.4 -31.1 179.8 75.0 112.5 33.4 120 -2.2 131 -1.7 0 0.0 130 -1.5 11 62
128 130 GLN Q G T 4 3 TS+ 0 0 -53.4 -23.9 -179.2 63.6 87.7 41.0 0 0.0 0 0.0 0 0.0 0 0.0 9 47
129 131 ARG R G T 4 < TS+ 0 0 -69.1 -37.5 -177.3 22.1 117.7 29.7 126 -2.1 0 0.0 0 0.0 0 0.0 6 51
130 132 VAL V T e 4 < TS+ 0 0 -112.6 0.4 -179.5 112.1 94.0 68.1 127 -1.5 177 -3.2 0 0.0 0 0.0 11 55
131 133 CYS C E E CG > T - 169 0 -77.1 107.8 -176.6 -149.9 23.3 142.7 143 -2.3 142 -2.5 0 0.0 141 -0.9 12 37
139 141 LEU L T e 4 3 TS+ 0 0 -48.9 -42.7 -177.9 54.3 87.9 29.7 168 -2.4 0 0.0 137 -1.0 0 0.0 13 44
140 142 ALA A T T 4 3 TS+ 0 0 -67.2 -31.4 -177.8 19.4 125.1 41.2 0 0.0 0 0.0 0 0.0 0 0.0 7 31
141 143 THR T T T 4 < TS- 0 0 -119.8 -4.0 -176.8 -118.7 95.7 60.0 138 -0.9 0 0.0 0 0.0 0 0.0 5 25
142 144 GLY G t < T + 0 0 72.8 8.0 -179.6 158.1 61.9 55.9 138 -2.5 144 -0.7 0 0.0 0 0.0 8 29
143 145 LYS K e - 0 0 -70.6 105.4 176.8 -143.7 36.8 123.4 0 0.0 138 -2.3 0 0.0 0 0.0 8 28
144 146 GLN Q E E CH - 137 0 -68.2 135.6 179.4 -171.6 24.6 119.8 142 -0.7 0 0.0 0 0.0 0 0.0 8 30
145 147 VAL V E E CH - 136 0 -134.8 143.1 178.0 -152.0 15.6 176.5 136 -2.8 136 -2.8 0 0.0 0 0.0 8 36
146 148 ARG R E E CH - 135 0 -116.0 136.6 177.6 -167.3 7.2 157.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
147 149 LEU L E E CH - 134 0 -120.7 134.0 178.2 -130.6 20.1 165.3 134 -2.6 134 -2.4 0 0.0 0 0.0 10 41
148 150 THR T E E >CH T - 133 0 -73.4 165.7 179.0 -102.2 34.9 111.0 0 0.0 152 -1.0 0 0.0 0 0.0 9 36
149 151 ALA A T e 4 >>TS+ 0 0 -58.2 -38.9 -180.0 52.3 126.8 22.9 132 -1.6 152 -0.9 0 0.0 154 -0.5 12 43
150 152 LYS K G G 4 >5TS+ 0 0 -63.1 -43.2 179.2 52.1 106.1 22.8 0 0.0 153 -1.7 0 0.0 0 0.0 7 30
151 153 GLU E G G 4 35TS+ 0 0 -67.9 -13.6 177.7 70.5 96.4 50.6 0 0.0 0 0.0 0 0.0 0 0.0 7 32
152 154 CYS C G G < <5TS- 0 0 -76.1 -12.8 -179.7 -141.0 96.1 50.4 148 -1.0 160 -3.1 149 -0.9 0 0.0 13 47
153 155 ARG R T g <5T - 0 0 50.4 58.9 -179.5 -157.6 23.7 16.0 150 -1.7 0 0.0 0 0.0 0 0.0 9 35
154 156 PHE F t T - 158 0 -149.7 -177.9 -179.8 -48.7 56.8 149.1 158 -2.3 158 -2.0 0 0.0 0 0.0 8 37
156 158 TYR Y T T 3 TS- 0 0 -64.3 111.8 -179.6 -22.1 127.1 119.9 0 0.0 0 0.0 0 0.0 0 0.0 6 47
157 159 ARG R T T 3 TS+ 0 0 50.9 40.7 -178.0 106.1 126.8 33.9 0 0.0 0 0.0 0 0.0 0 0.0 12 47
158 160 ASP D B B C < T + 155 0 -149.1 155.6 177.8 154.9 36.2 167.2 155 -2.0 155 -2.3 0 0.0 0 0.0 12 42
159 161 SER S g > T - 0 0 -167.7 167.2 179.6 -90.8 57.9 160.6 0 0.0 162 -2.1 0 0.0 0 0.0 14 45
160 162 ILE I G G >>TS+ 0 0 -59.9 -21.8 -178.9 73.9 116.3 44.1 152 -3.1 165 -2.2 0 0.0 163 -1.8 13 42
161 163 PHE F G G 35TS+ 0 0 -70.9 -10.2 178.8 54.4 92.0 55.1 0 0.0 0 0.0 0 0.0 0 0.0 12 53
162 164 LYS K G G <5TS+ 0 0 -100.6 1.7 -178.4 18.9 125.2 73.0 159 -2.1 0 0.0 0 0.0 0 0.0 10 46
163 165 HIS H T g X5TS+ 0 0 -131.3 -110.5 -178.9 11.2 129.6 83.5 160 -1.8 166 -1.9 0 0.0 0 0.0 7 30
164 166 GLU E T T 35TS+ 0 0 -50.5 -36.7 -178.3 42.1 132.0 37.0 0 0.0 0 0.0 0 0.0 0 0.0 6 24
165 167 TYR Y T T > 3 TS- 0 0 -94.0 131.3 177.8 -69.5 95.3 134.8 0 0.0 191 -2.2 0 0.0 0 0.0 9 34
189 191 GLY G G G > TS+ 0 0 35.5 -125.4 -178.8 6.7 118.0 85.2 0 0.0 192 -2.0 0 0.0 0 0.0 6 32
190 192 ASP D G G > TS+ 0 0 -61.8 -14.5 179.9 78.6 115.7 49.6 0 0.0 193 -1.7 0 0.0 0 0.0 8 30
191 193 LEU L G G X TS+ 0 0 -68.8 -16.3 179.7 73.2 78.3 42.3 188 -2.2 194 -1.7 0 0.0 0 0.0 13 37
192 194 THR T G G < TS+ 0 0 -70.9 -15.4 179.3 66.7 84.1 49.4 189 -2.0 0 0.0 0 0.0 0 0.0 9 28
193 195 ARG R G G < TS+ 0 0 -79.3 -11.7 -178.9 90.6 87.1 55.1 190 -1.7 0 0.0 0 0.0 0 0.0 6 25
194 196 LEU L S g < TS- 0 0 -90.0 142.8 179.5 -125.7 79.0 130.9 191 -1.7 0 0.0 0 0.0 0 0.0 10 31
195 197 ASP D t > T - 0 0 -90.4 125.6 -179.9 -142.8 7.6 142.8 0 0.0 199 -3.0 0 0.0 0 0.0 7 24
196 198 PRO P T T 4 TS+ 0 0 -52.9 -31.0 -177.5 45.6 100.9 42.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28
197 199 THR T T T 4 TS+ 0 0 -86.2 -36.7 -177.9 33.3 120.8 33.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19
198 200 THR T T T 4 TS+ 0 0 -88.6 -39.3 -176.0 99.6 94.9 29.9 0 0.0 0 0.0 0 0.0 0 0.0 6 19
199 201 VAL V t < T - 0 0 -56.0 141.0 177.6 -154.9 55.5 96.3 195 -3.0 0 0.0 0 0.0 0 0.0 10 29
200 202 THR T h > T - 0 0 -110.8 160.7 -180.0 -106.2 31.2 141.4 0 0.0 204 -1.7 0 0.0 0 0.0 6 36
201 203 PRO P H H > TS+ 0 0 -53.5 -41.5 -179.5 52.5 120.7 27.5 0 0.0 205 -2.7 0 0.0 0 0.0 11 43
202 204 GLN Q H H > TS+ 0 0 -65.4 -35.1 -179.1 56.6 104.4 28.8 0 0.0 206 -3.0 0 0.0 0 0.0 8 42
203 205 GLN Q H H > TS+ 0 0 -65.5 -35.6 177.6 45.6 108.8 25.8 0 0.0 207 -2.1 0 0.0 0 0.0 8 39
204 206 VAL V H H X TS+ 0 0 -69.2 -44.4 179.6 54.5 111.2 21.1 200 -1.7 208 -3.0 0 0.0 0 0.0 14 50
205 207 PHE F H H X TS+ 0 0 -53.1 -48.7 -179.2 45.0 110.6 22.3 201 -2.7 209 -2.9 0 0.0 0 0.0 11 53
206 208 ASN N H H X TS+ 0 0 -64.7 -40.4 -179.9 50.4 112.9 25.8 202 -3.0 210 -2.5 0 0.0 0 0.0 8 40
207 209 ALA A H H X TS+ 0 0 -62.7 -45.5 179.5 46.6 113.2 20.3 203 -2.1 211 -2.1 0 0.0 0 0.0 10 42
208 210 VAL V H H X TS+ 0 0 -61.5 -50.6 -179.4 46.0 114.4 17.8 204 -3.0 212 -2.5 0 0.0 0 0.0 14 48
209 211 CYS C H H X TS+ 0 0 -64.7 -32.0 179.2 57.9 108.4 32.5 205 -2.9 213 -3.3 0 0.0 0 0.0 10 40
210 212 HIS H H H X TS+ 0 0 -63.9 -46.6 179.7 42.9 109.5 18.4 206 -2.5 214 -1.6 0 0.0 0 0.0 8 32
211 213 MET M H H X TS+ 0 0 -65.4 -38.5 -179.6 49.2 117.0 22.6 207 -2.1 215 -1.7 0 0.0 0 0.0 9 34
212 214 ARG R H H X TS+ 0 0 -66.7 -46.3 -179.2 48.4 109.9 22.1 208 -2.5 216 -2.9 0 0.0 0 0.0 9 40
213 215 THR T H H < TS+ 0 0 -67.6 -25.2 178.3 49.9 112.8 38.6 209 -3.3 0 0.0 0 0.0 0 0.0 9 36
214 216 THR T H H < TS+ 0 0 -81.9 -29.7 -178.2 26.4 124.2 34.1 210 -1.6 0 0.0 0 0.0 0 0.0 7 27
215 217 LYS K H H < TS+ 0 0 -99.7 -40.6 -175.7 66.6 110.0 32.4 211 -1.7 0 0.0 0 0.0 0 0.0 8 40
216 218 LEU L S h < TS- 0 0 -95.5 134.6 -180.0 -126.1 74.7 134.5 212 -2.9 0 0.0 0 0.0 0 0.0 10 47
217 219 PRO P - 0 0 -74.7 143.8 178.5 -120.5 23.8 117.2 0 0.0 0 0.0 0 0.0 0 0.0 10 44
218 220 ASP D t > > T - 0 0 -82.8 125.7 180.0 -137.5 16.3 137.9 0 0.0 221 -2.6 0 0.0 222 -1.8 9 41
219 221 PRO P T T 4 3 TS+ 0 0 -54.8 -28.9 -179.3 65.7 101.9 34.2 0 0.0 0 0.0 0 0.0 0 0.0 10 47
220 222 LYS K T T 4 3 TS+ 0 0 -71.0 -7.1 177.2 38.1 110.1 52.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
221 223 VAL V T T 4 < TS+ 0 0 -99.4 -63.7 178.1 0.8 140.5 35.3 218 -2.6 0 0.0 0 0.0 0 0.0 6 33
222 224 ASN N S t < TS- 0 0 -130.5 119.2 -179.0 -116.3 85.7 170.1 218 -1.8 0 0.0 0 0.0 0 0.0 11 44
223 225 GLY G e + 0 0 -54.4 140.3 178.2 153.0 48.4 98.6 0 0.0 292 -3.5 0 0.0 0 0.0 13 50
224 226 ASN N E E EI - 291 0 -162.7 165.3 -180.0 -138.9 48.1 166.5 8 -0.8 0 0.0 0 0.0 0 0.0 15 65
225 227 ALA A E E E* - 0 0 -119.7 28.1 -179.8 -114.7 55.0 92.0 290 -0.6 0 0.0 0 0.0 0 0.0 16 68
226 228 GLY G E E E* S+ 0 0 73.9 -154.6 178.9 14.8 83.9 114.6 0 0.0 290 -0.6 0 0.0 0 0.0 10 64
227 229 ALA A E E EI - 289 0 -53.2 119.1 -178.4 -160.3 66.6 111.7 0 0.0 0 0.0 0 0.0 0 0.0 10 69
228 230 PHE F S e S+ 0 0 -76.4 -28.5 -179.1 40.6 71.1 34.1 288 -2.9 323 -2.8 0 0.0 324 -1.1 12 70
229 231 PHE F B B D S- 322 0 -121.2 153.3 177.6 -118.7 81.6 148.6 0 0.0 0 0.0 0 0.0 0 0.0 12 63
230 232 LYS K - 0 0 -82.4 152.2 175.1 -102.4 40.8 123.1 321 -2.9 0 0.0 0 0.0 0 0.0 11 52
231 233 ASN N - 0 0 -72.1 124.4 -178.9 -121.4 50.5 134.1 0 0.0 0 0.0 0 0.0 0 0.0 10 53
232 234 PRO P e - 0 0 -75.1 149.1 177.7 -144.4 14.3 113.5 0 0.0 261 -2.9 0 0.0 234 -0.5 12 48
233 235 VAL V E E FJ - 260 0 -109.2 124.3 -179.2 -175.2 25.9 161.3 0 0.0 0 0.0 0 0.0 0 0.0 8 45
234 236 VAL V E E FJ - 259 0 -119.1 163.5 178.9 -87.1 31.4 144.4 259 -3.5 259 -3.0 232 -0.5 0 0.0 11 38
235 237 SER S h > T - 0 0 -64.0 156.3 178.3 -113.9 38.1 105.2 0 0.0 239 -3.1 0 0.0 0 0.0 9 27
236 238 ALA A H H > TS+ 0 0 -57.0 -38.7 179.1 53.5 120.1 29.8 0 0.0 240 -2.7 0 0.0 0 0.0 9 26
237 239 GLU E H H > TS+ 0 0 -61.6 -55.0 178.5 43.3 110.3 13.9 0 0.0 241 -2.7 0 0.0 0 0.0 6 26
238 240 THR T H H > TS+ 0 0 -58.0 -43.3 -180.0 51.1 115.6 22.2 0 0.0 242 -2.7 0 0.0 0 0.0 8 32
239 241 ALA A H H X TS+ 0 0 -62.0 -39.5 -179.6 49.4 110.0 25.9 235 -3.1 243 -2.8 0 0.0 0 0.0 11 39
240 242 LYS K H H X TS+ 0 0 -63.9 -51.4 -179.9 45.7 112.9 12.8 236 -2.7 244 -2.3 0 0.0 0 0.0 8 29
241 243 ALA A H H X TS+ 0 0 -57.2 -45.5 -178.6 46.8 116.1 26.1 237 -2.7 245 -1.3 0 0.0 0 0.0 8 26
242 244 LEU L H H X TS+ 0 0 -66.5 -46.0 -179.3 48.1 112.0 23.7 238 -2.7 246 -2.2 0 0.0 0 0.0 10 38
243 245 LEU L H H < TS+ 0 0 -67.5 -28.6 178.7 58.3 106.0 34.2 239 -2.8 0 0.0 0 0.0 0 0.0 10 34
244 246 SER S H H < TS+ 0 0 -67.4 -33.5 -179.8 36.0 116.0 26.9 240 -2.3 0 0.0 0 0.0 0 0.0 7 20
245 247 GLN Q H H < TS+ 0 0 -88.9 -23.3 -179.6 26.1 134.6 42.5 241 -1.3 0 0.0 0 0.0 0 0.0 6 21
246 248 PHE F S h < > TS+ 0 0 -139.2 73.5 -179.6 175.2 70.9 126.6 242 -2.2 249 -1.8 0 0.0 0 0.0 7 28
247 249 PRO P T T 3 TS+ 0 0 -49.5 -43.9 -178.5 57.5 74.6 33.7 0 0.0 0 0.0 0 0.0 0 0.0 7 21
248 250 THR T T T 3 TS+ 0 0 -74.4 5.6 -179.4 128.6 73.0 68.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
249 251 ALA A t < T - 0 0 -65.6 124.2 179.4 -118.3 66.7 118.7 246 -1.8 0 0.0 0 0.0 0 0.0 10 37
250 252 PRO P e + 0 0 -63.1 130.1 -179.4 173.7 45.3 119.2 0 0.0 262 -1.4 0 0.0 0 0.0 7 36
251 253 ASN N E E FK - 261 0 -142.9 155.0 -176.9 -152.9 29.7 168.1 0 0.0 0 0.0 0 0.0 0 0.0 8 40
252 254 TYR Y E E FK - 260 0 -133.1 93.0 179.9 -142.3 20.8 148.7 260 -3.0 260 -2.3 0 0.0 0 0.0 7 37
253 255 PRO P E E FK - 259 0 -56.8 131.7 179.4 -141.9 15.5 107.4 0 0.0 0 0.0 0 0.0 0 0.0 8 26
254 256 GLN Q e > T - 0 0 -92.0 159.2 -178.7 -104.5 27.5 130.1 258 -3.3 257 -2.3 0 0.0 0 0.0 8 24
255 257 ALA A T T 3 TS+ 0 0 -52.7 -35.5 -179.5 54.7 120.8 33.3 0 0.0 0 0.0 0 0.0 0 0.0 5 15
256 258 ASP D T T 3 TS- 0 0 -83.5 9.4 179.8 -102.9 121.7 76.4 0 0.0 0 0.0 0 0.0 0 0.0 4 16
257 259 GLY G S t < TS+ 0 0 91.5 -24.6 177.7 123.3 84.1 79.1 254 -2.3 0 0.0 0 0.0 0 0.0 8 21
258 260 SER S e - 0 0 -64.5 161.2 -177.9 -138.9 54.7 110.7 0 0.0 254 -3.3 0 0.0 0 0.0 12 27
259 261 VAL V E E FJK - 234 253 -132.5 134.4 178.0 -141.4 5.5 170.2 234 -3.0 234 -3.5 0 0.0 0 0.0 13 34
260 262 LYS K E E FJK - 233 252 -90.8 140.4 179.6 -156.4 20.6 137.7 252 -2.3 252 -3.0 0 0.0 0 0.0 12 42
261 263 LEU L E E F K - 0 251 -113.1 157.8 178.4 -107.6 25.1 145.5 232 -2.9 263 -1.0 0 0.0 0 0.0 13 51
262 264 ALA A h > > T - 0 0 -88.7 100.6 -179.9 -164.3 25.9 139.3 250 -1.4 266 -2.2 0 0.0 265 -0.6 11 53
263 265 ALA A H H > 3 TS+ 0 0 -52.3 -39.2 179.5 59.5 88.2 29.9 261 -1.0 267 -2.8 0 0.0 0 0.0 12 59
264 266 GLY G H H > 3 TS+ 0 0 -58.5 -40.8 179.2 47.5 106.0 25.7 0 0.0 268 -2.6 0 0.0 0 0.0 10 55
265 267 TRP W H H > < TS+ 0 0 -65.5 -47.6 -179.4 51.2 110.9 18.7 262 -0.6 269 -3.0 0 0.0 0 0.0 10 49
266 268 LEU L H H X TS+ 0 0 -56.1 -45.4 -179.5 44.4 113.3 24.2 262 -2.2 270 -0.6 0 0.0 0 0.0 12 57
267 269 ILE I H H < >>TS+ 0 0 -63.1 -49.3 178.8 50.5 113.8 19.1 263 -2.8 270 -1.3 0 0.0 272 -1.3 15 53
268 270 ASP D H H < >5TS+ 0 0 -54.9 -43.5 -180.0 58.5 104.5 27.0 264 -2.6 271 -2.2 0 0.0 0 0.0 10 48
269 271 GLN Q H H < 35TS+ 0 0 -63.4 -20.4 177.7 61.4 97.2 46.6 265 -3.0 0 0.0 0 0.0 0 0.0 7 42
270 272 CYS C T h < <5TS- 0 0 -88.1 12.0 -179.8 -114.9 118.2 76.2 267 -1.3 0 0.0 266 -0.6 0 0.0 9 39
271 273 GLN Q T T <5TS+ 0 0 56.6 39.5 -178.4 136.6 75.3 29.7 268 -2.2 0 0.0 0 0.0 0 0.0 6 32
272 274 LEU L t > TS- 280 0 -135.2 121.5 -178.5 -39.0 73.3 167.3 280 -2.6 280 -2.3 0 0.0 0 0.0 10 33
278 280 GLY G T T 3 TS- 0 0 59.6 -133.7 179.8 -22.3 126.4 108.7 0 0.0 0 0.0 0 0.0 0 0.0 10 29
279 281 GLY G T e 3 TS+ 0 0 -91.9 12.1 -178.5 89.6 122.7 72.8 0 0.0 294 -2.5 0 0.0 293 -2.1 12 34
280 282 ALA A E E ELM< T + 277 292 -110.5 148.9 -179.0 176.0 52.0 147.3 277 -2.3 277 -2.6 0 0.0 0 0.0 17 50
281 283 ALA A E E ELM - 276 291 -148.5 162.3 176.8 -102.8 37.4 159.3 291 -2.0 291 -3.1 0 0.0 283 -0.6 15 55
282 284 VAL V E E E M - 0 290 -85.8 123.1 -179.2 -113.7 50.6 144.0 275 -2.5 274 -2.2 0 0.0 0 0.0 15 58
283 285 HIS H e - 0 0 -59.7 133.2 -177.9 -142.6 17.8 110.8 289 -3.1 0 0.0 281 -0.6 0 0.0 13 53
284 286 ARG R S S S+ 0 0 -75.1 -17.6 -179.9 47.6 95.8 48.4 0 0.0 0 0.0 0 0.0 0 0.0 7 39
285 287 GLN Q S S S+ 0 0 -99.3 -8.5 179.8 17.5 128.9 57.2 0 0.0 0 0.0 0 0.0 0 0.0 8 37
286 288 GLN Q t > T - 0 0 -163.9 96.1 -176.4 -159.6 67.7 132.5 0 0.0 289 -1.9 0 0.0 0 0.0 10 44
287 289 ALA A T T 3 TS+ 0 0 -57.8 -17.8 -179.9 74.0 85.2 51.3 0 0.0 0 0.0 0 0.0 0 0.0 14 54
288 290 LEU L T e 3 TS+ 0 0 -69.4 -23.7 -177.8 79.7 84.3 37.3 0 0.0 228 -2.9 0 0.0 290 -0.5 13 59
289 291 VAL V E E EI < T - 227 0 -94.4 126.6 175.2 -159.4 63.7 135.8 286 -1.9 283 -3.1 0 0.0 0 0.0 14 69
290 292 LEU L E E E*M - 0 282 -96.5 135.3 -177.9 -158.6 22.5 145.2 226 -0.6 225 -0.6 288 -0.5 0 0.0 17 72
291 293 ILE I E E EIM - 224 281 -120.3 158.8 178.2 -119.1 27.0 150.1 281 -3.1 281 -2.0 0 0.0 293 -1.2 14 61
292 294 ASN N E E E M + 0 280 -91.8 96.4 -177.9 166.8 43.0 143.2 223 -3.5 0 0.0 0 0.0 0 0.0 15 58
293 295 GLU E e + 0 0 -82.5 -43.4 -179.7 3.7 67.6 26.9 279 -2.1 0 0.0 291 -1.2 0 0.0 10 43
294 296 ASP D S S S- 0 0 -149.8 96.0 179.3 -49.7 125.1 136.8 279 -2.5 0 0.0 0 0.0 0 0.0 7 35
295 297 ASN N S S S- 0 0 41.7 53.6 -179.8 -158.6 75.4 26.8 0 0.0 0 0.0 0 0.0 0 0.0 9 35
296 298 ALA A - 0 0 -62.5 139.1 176.6 -142.1 6.6 110.4 0 0.0 0 0.0 0 0.0 0 0.0 13 44
297 299 LYS K h > > T - 0 0 -95.4 154.2 179.2 -114.1 25.4 135.7 0 0.0 301 -1.6 0 0.0 300 -0.7 11 44
298 300 SER S H H > 3 TS+ 0 0 -58.6 -35.6 179.3 57.6 118.3 28.3 0 0.0 302 -2.9 0 0.0 0 0.0 12 55
299 301 GLU E H H > 3 TS+ 0 0 -64.5 -30.4 178.2 55.1 102.3 31.9 0 0.0 303 -2.8 0 0.0 0 0.0 7 44
300 302 ASP D H H > < TS+ 0 0 -66.3 -43.5 -179.5 45.7 110.2 22.9 297 -0.7 304 -2.4 0 0.0 0 0.0 12 41
301 303 VAL V H H X TS+ 0 0 -65.5 -43.7 179.2 49.0 113.6 21.8 297 -1.6 305 -2.3 0 0.0 0 0.0 15 65
302 304 VAL V H H X TS+ 0 0 -61.6 -45.4 179.9 46.2 113.4 23.9 298 -2.9 306 -1.9 0 0.0 0 0.0 10 54
303 305 GLN Q H H X TS+ 0 0 -64.9 -43.0 179.7 50.6 112.0 24.2 299 -2.8 307 -3.0 0 0.0 0 0.0 10 40
304 306 LEU L H H X TS+ 0 0 -61.4 -41.7 180.0 48.8 111.2 23.9 300 -2.4 308 -2.8 0 0.0 0 0.0 14 58
305 307 ALA A H H X TS+ 0 0 -65.5 -36.6 179.3 51.3 111.0 30.8 301 -2.3 309 -2.7 0 0.0 0 0.0 11 67
306 308 HIS H H H X TS+ 0 0 -64.0 -50.1 180.0 47.7 110.9 16.7 302 -1.9 310 -3.1 0 0.0 0 0.0 10 48
307 309 HIS H H H X TS+ 0 0 -55.3 -53.0 -180.0 47.1 113.7 18.3 303 -3.0 311 -2.9 0 0.0 0 0.0 8 50
308 310 VAL V H H X TS+ 0 0 -55.4 -50.6 -179.4 47.2 114.1 20.5 304 -2.8 312 -2.4 0 0.0 0 0.0 10 62
309 311 ARG R H H X TS+ 0 0 -60.2 -43.4 -179.4 49.0 113.0 22.5 305 -2.7 313 -2.8 0 0.0 0 0.0 11 56
310 312 GLN Q H H X TS+ 0 0 -62.5 -46.1 -178.6 48.3 111.7 21.3 306 -3.1 314 -3.1 0 0.0 0 0.0 10 36
311 313 LYS K H H X TS+ 0 0 -61.8 -43.7 179.5 45.4 114.2 26.9 307 -2.9 315 -1.9 0 0.0 0 0.0 10 37
312 314 VAL V H H X TS+ 0 0 -67.7 -38.5 178.6 50.9 114.0 24.8 308 -2.4 316 -2.7 0 0.0 318 -0.7 15 47
313 315 GLY G H H X TS+ 0 0 -64.2 -44.1 179.6 47.1 111.2 22.2 309 -2.8 317 -1.7 0 0.0 0 0.0 11 42
314 316 GLU E H H < TS+ 0 0 -67.6 -33.8 -179.4 39.1 119.5 32.6 310 -3.1 0 0.0 0 0.0 0 0.0 8 24
315 317 LYS K H H < TS+ 0 0 -82.9 -46.3 -176.3 15.2 134.8 24.7 311 -1.9 0 0.0 0 0.0 0 0.0 8 33
316 318 PHE F H H < TS- 0 0 -109.1 -4.1 -175.6 -124.5 90.5 62.0 312 -2.7 0 0.0 0 0.0 0 0.0 8 45
317 319 ASN N S h < TS+ 0 0 56.1 36.0 177.0 130.3 71.4 29.3 313 -1.7 0 0.0 0 0.0 0 0.0 7 38
318 320 VAL V - 0 0 -120.5 125.1 -176.7 -150.2 49.4 173.8 312 -0.7 320 -0.7 0 0.0 0 0.0 10 51
319 321 TRP W - 0 0 -106.8 107.8 -176.5 -141.5 12.8 148.1 0 0.0 0 0.0 0 0.0 0 0.0 9 46
320 322 LEU L - 0 0 -71.1 141.9 179.3 -150.0 6.2 111.7 318 -0.7 0 0.0 0 0.0 0 0.0 13 52
321 323 GLU E - 0 0 -113.0 129.7 179.4 -113.9 24.3 155.8 0 0.0 230 -2.9 0 0.0 0 0.0 9 52
322 324 PRO P B B D - 229 0 -62.0 146.1 179.0 -162.8 16.0 108.5 0 0.0 0 0.0 0 0.0 0 0.0 10 61
323 325 GLU E + 0 0 -100.4 -16.1 179.8 93.1 67.7 57.4 228 -2.8 0 0.0 0 0.0 0 0.0 10 59
324 326 VAL V S S S- 0 0 -81.3 140.2 179.8 -118.1 83.4 123.1 228 -1.1 326 -0.6 0 0.0 0 0.0 12 65
325 327 ARG R E E Bc - 50 0 -83.4 120.1 -178.6 -146.8 24.3 137.0 49 -3.2 51 -3.2 0 0.0 327 -0.6 10 63
326 328 PHE F E E Bc - 51 0 -90.8 117.8 -178.5 -157.2 10.8 143.7 324 -0.6 333 -2.5 0 0.0 328 -0.7 12 60
327 329 ILE I E E BcN - 52 332 -104.7 112.1 178.5 -171.1 9.6 149.4 51 -3.0 53 -3.2 325 -0.6 54 -0.7 14 58
328 330 GLY G E E B N> T - 0 331 -85.3 -176.9 -177.9 -77.5 47.7 106.8 331 -2.6 331 -1.3 326 -0.7 0 0.0 12 41
329 331 ALA A T T 3 TS+ 0 0 -51.9 -40.5 -178.0 27.7 130.4 37.5 0 0.0 57 -2.7 0 0.0 0 0.0 10 39
330 332 SER S T T 3 TS- 0 0 -109.8 10.1 179.6 -59.9 130.2 75.1 0 0.0 0 0.0 0 0.0 0 0.0 10 36
331 333 GLY G E E BN < TS- 328 0 140.7 -173.1 -178.2 -12.2 87.4 149.2 328 -1.3 328 -2.6 0 0.0 0 0.0 10 43
332 334 GLU E E E BN - 327 0 -64.0 137.6 178.0 -169.6 55.4 107.0 0 0.0 0 0.0 0 0.0 0 0.0 8 44
333 335 VAL V e - 0 0 -118.0 169.4 179.1 -76.1 40.6 133.3 326 -2.5 0 0.0 0 0.0 0 0.0 8 36
334 336 SER S h > T - 0 0 -71.2 124.0 -179.4 -159.3 37.2 126.6 0 0.0 338 -2.1 0 0.0 0 0.0 7 32
335 337 ALA A H H > TS+ 0 0 -68.9 -48.5 -179.4 48.3 91.6 18.9 0 0.0 339 -2.1 0 0.0 0 0.0 11 44
336 338 VAL V H H > TS+ 0 0 -58.0 -46.9 179.9 49.9 112.4 18.6 0 0.0 340 -0.6 0 0.0 0 0.0 9 39
337 339 GLU E H H 4 > TS+ 0 0 -57.9 -41.4 -179.0 52.1 109.5 24.3 0 0.0 340 -1.1 0 0.0 0 0.0 6 29
338 340 THR T H H < 3 TS+ 0 0 -65.7 -34.8 -178.5 40.2 115.3 33.0 334 -2.1 0 0.0 0 0.0 0 0.0 8 40
339 341 ILE I H H < 3 T 0 0 -99.1 11.1 -179.7 999.9 999.9 71.5 335 -2.1 0 0.0 0 0.0 0 0.0 10 42
340 342 SER S h < < T 0 0 -82.6 999.9 999.9 999.9 999.9 113.6 337 -1.1 0 0.0 336 -0.6 0 0.0 6 29
1uxy-.pdb
1UXY OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand B GGGSTT BEEEEEEESSHHHHHHHHHHHHHTT EEEESS TTEEE S EEEEEEEE EEEEE SSEEEEEEETTSBHHHHHHHHHHTT Kabs/Sand
chirality -++++-+-+-+---------+-+++++++++++++-+--------+++-------+-----++-+-----+-++-------++--++++++++++-+-+ chirality
bends SSSSSS S SSSSSSSSSSSSSSSSS SS SS S SS SS SSS SSSSSSSSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>333< >33< >33< >33< 3-turns
bridge-2 bbbb EEEEEEE bridge-2
bridge-1 A Aa*aaaaa bbbb ccc a**aaaaa DDDDD DDDDD B bridge-1
sheets AAAAAAA AAAA BBB AAAAAAAA CCCCC CCCCCCC sheets
4-turns >>>>XXXXXXX<<<< >>>>XXXX<<<< 4-turns
summary BgGGGgTTt eEEEEEEEShHHHHHHHHHHHHHhTteEEEESStTeEEEeS EEEEEEEEe eEEEEEeSeEEEEEEEeTthHHHHHHHHHHhTt summary
sequence HSLKPWNTFGIDHNAQHIVCAEDEQQLLNAWQYATAEGQPVLILGEGSNVLFLEDYRGTVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGMP sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S GGGTT SBGGGTTTTT EETTEEGGGTEEEEEEEETTT EEEEETGGGT BTTB GGGTTTTTTEEEEEEEEEEESS SGGGGGS TTT Kabs/Sand
chirality +++++++-+--++++++--+++-+--+++++---+---++-+------+++--+--++-++++++-++--++-------+----+++-+++++--+++-- chirality
bends S SSS S S SSSSSSS SS SSSS SSS SSSS SS SSSSSSSSS SS SSSSSSS SSS bends
turns TTTTTTT TTTTTTTTTT TTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>3X<3< >>3<<>33< >33<>>3<< >33< >>3<< >33<>>3>>X<<< 3-turns
bridge-2 HHHHH GGG*GGGG bridge-2
bridge-1 B FF FF G*GGGGGG HHHHH C C EEEEEEE bridge-1
sheets DD DD CCCCCCCC CCCCC CCCCCCCCCCC sheets
4-turns >44><44< >444< >444< >444< >444< >444<> 4-turns
summary SgGGGgTt SBGGGgTTTTeEETTEEeTTeEEEEEEEEeTTteEEEEEeGGGgtBTTBgGGGgTTTTeEEEEEEEEEEEeS gGGGGGgtTTTth summary
sequence GLENLALIPGCVGSSPIQNIGAYGVELQRVCAYVDSVELATGKQVRLTAKECRFGYRDSIFKHEYQDRFAIVAVGLRLPKEWQPVLTYGDLTRLDPTTVT sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHS TTTS EEEESB EE HHHHHHHHHHSTT EEE TTS EEE HHHHHHHTT TT EETTEEE SS TTEEEE SS HHH Kabs/Sand
chirality +++++++++++++++---+++-+--+-+-------+++++++++++++-+----+-+-----+++++++-++++----++---++-++---++----+++ chirality
bends SSSSSSSSSSSSSSSS SSSS S SS SSSSSSSSSSSSS SSS SSSSSSSSS SS SSS SS SS SS SSS bends
turns TTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTT TTTT TTTT TTTT turns
5-turns >5555< 5-turns
3-turns >33< >33< >33< >33< >>3<<>33< >33< >33< >33< 3-turns
bridge-2 KKK MMM MMM bridge-2
bridge-1 I**I D JJ KKK JJ LL LL I*I bridge-1
sheets EEEE FF FFF FFF EE EEE EEEE sheets
4-turns >>>XXXXXXXXX<<<< >444< >>>>XXXX<<<< >>>>X<<<< >>>> 4-turns
summary HHHHHHHHHHHHHHHh tTTTteEEEEeB eEEhHHHHHHHHHHhTTteEEEeTTteEEEhHHHHHHHhTtTTeEETeEEEeSStTeEEEEeSS hHHH summary
sequence PQQVFNAVCHMRTTKLPDPKVNGNAGAFFKNPVVSAETAKALLSQFPTAPNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKSED sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHHHHHHS B SEEEETTEE HHHHH Kabs/Sand
chirality +++++++++++++++-+-----+-----+-----++++ chirality
bends SSSSSSSSSSSSSSSSS S SSS SSSS bends
turns TTTTTTTTTTTTTTTTT TTTT TTTTTTT turns
5-turns 5-turns
3-turns >33< >33< 3-turns
bridge-2 NN bridge-2
bridge-1 D ccc NN bridge-1
sheets BBBB BB sheets
4-turns XXXXXXXXXXXXX<<<< >>>4<<< 4-turns
summary HHHHHHHHHHHHHHHHh B SEEEETTEEehHHHHHh summary
sequence VVQLAHHVRQKVGEKFNVWLEPEVRFIGASGEVSAVETIS sequence
310 320 330 340