Secondary structure calculation program - copyright by David Keith Smith, 1989
1f8gA.pdb
1F8G OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 368
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 2 LYS K e 0 0 999.9 132.8 175.2 999.9 999.9 999.9 0 0.0 69 -2.0 0 0.0 68 -1.5 10 48
2 A 3 ILE I E E Aab - 69 32 -118.5 129.3 -177.7 -169.1 999.9 167.3 31 -3.1 33 -2.6 0 0.0 0 0.0 12 61
3 A 4 ALA A E E Aab - 70 33 -126.1 144.5 179.8 -166.5 13.7 159.7 69 -2.4 71 -2.0 0 0.0 0 0.0 15 65
4 A 5 ILE I E E A b - 0 34 -129.3 118.8 -179.0 -161.1 13.3 169.1 33 -2.1 35 -2.3 0 0.0 0 0.0 16 76
5 A 6 PRO P - 0 0 -93.2 170.2 174.2 -90.1 31.3 118.7 0 0.0 0 0.0 0 0.0 0 0.0 13 67
6 A 7 LYS K - 0 0 -74.0 140.6 178.3 -108.9 48.3 122.8 0 0.0 0 0.0 0 0.0 0 0.0 13 57
7 A 8 GLU E - 0 0 -72.7 131.5 -177.4 -175.5 35.1 127.4 0 0.0 0 0.0 0 0.0 0 0.0 12 55
8 A 9 ARG R + 0 0 -108.3 -10.1 178.7 110.2 42.6 56.9 0 0.0 0 0.0 0 0.0 0 0.0 5 43
9 A 10 ARG R S t > TS- 0 0 -65.4 148.3 -178.1 -86.6 86.2 109.9 0 0.0 12 -1.6 0 0.0 0 0.0 6 36
10 A 11 PRO P T T 3 TS+ 0 0 -55.3 126.7 177.0 8.0 110.6 111.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
11 A 12 GLY G T T 3 TS+ 0 0 87.0 -12.0 -179.3 136.9 88.7 76.0 0 0.0 13 -0.7 0 0.0 0 0.0 6 30
12 A 13 GLU E t < T + 0 0 -77.0 114.5 178.1 161.3 15.4 124.8 9 -1.6 0 0.0 0 0.0 0 0.0 9 41
13 A 14 ASP D + 0 0 -107.9 -3.5 179.6 100.0 43.3 65.5 11 -0.7 0 0.0 0 0.0 0 0.0 12 46
14 A 15 ARG R - 0 0 -77.5 167.6 177.5 -160.7 53.0 111.4 0 0.0 0 0.0 0 0.0 0 0.0 14 60
15 A 16 VAL V - 0 0 -146.4 144.0 -177.6 -123.4 24.7 168.6 0 0.0 17 -1.2 0 0.0 0 0.0 17 65
16 A 17 ALA A S S S+ 0 0 -89.4 57.6 -179.6 57.4 84.3 108.1 0 0.0 0 0.0 0 0.0 0 0.0 13 76
17 A 18 ILE I - 0 0 -170.3 163.0 174.3 -171.3 51.2 167.7 15 -1.2 0 0.0 0 0.0 0 0.0 13 72
18 A 19 SER S h > T - 0 0 -155.9 156.6 176.3 -106.8 41.5 160.7 0 0.0 22 -2.6 0 0.0 0 0.0 11 60
19 A 20 PRO P H H > TS+ 0 0 -53.2 -45.5 179.9 54.2 119.8 24.7 0 0.0 23 -2.2 0 0.0 0 0.0 11 53
20 A 21 GLU E H H > TS+ 0 0 -59.2 -40.2 -179.1 46.4 110.0 25.1 0 0.0 24 -1.6 0 0.0 0 0.0 7 43
21 A 22 VAL V H H > TS+ 0 0 -72.2 -38.3 176.7 58.0 106.7 24.1 0 0.0 25 -2.8 0 0.0 0 0.0 12 49
22 A 23 VAL V H H X TS+ 0 0 -52.7 -49.7 178.3 52.2 105.0 19.2 18 -2.6 26 -3.1 0 0.0 0 0.0 14 56
23 A 24 LYS K H H X TS+ 0 0 -53.0 -47.9 178.3 46.5 110.7 23.9 19 -2.2 27 -2.5 0 0.0 0 0.0 10 36
24 A 25 LYS K H H X TS+ 0 0 -61.6 -45.9 179.0 50.3 112.2 23.9 20 -1.6 28 -0.9 0 0.0 0 0.0 8 41
25 A 26 LEU L H H < >>TS+ 0 0 -59.5 -45.5 177.2 47.7 111.7 20.1 21 -2.8 30 -2.2 0 0.0 28 -1.1 12 53
26 A 27 VAL V H H < >5TS+ 0 0 -62.9 -38.6 177.4 56.9 107.9 21.6 22 -3.1 29 -2.0 0 0.0 0 0.0 12 39
27 A 28 GLY G H H < 35TS+ 0 0 -64.6 -19.0 178.3 54.8 103.1 47.7 23 -2.5 0 0.0 0 0.0 0 0.0 7 31
28 A 29 LEU L T h < <5TS- 0 0 -96.0 4.9 177.2 -95.5 128.9 74.2 25 -1.1 0 0.0 24 -0.9 0 0.0 9 35
29 A 30 GLY G T T <5TS+ 0 0 94.3 14.2 -179.8 140.6 77.8 52.9 26 -2.0 0 0.0 0 0.0 0 0.0 8 34
30 A 31 PHE F t T - 0 57 -61.5 141.5 -177.5 -93.2 48.6 114.5 4 -2.3 38 -1.7 0 0.0 0 0.0 16 56
36 A 37 GLN Q T e 3 TS+ 0 0 -63.1 138.7 -179.5 11.3 108.1 108.3 57 -2.7 0 0.0 0 0.0 0 0.0 10 43
37 A 38 GLY G T T > TS+ 0 0 74.5 4.2 -178.6 131.3 84.8 62.2 0 0.0 40 -1.8 0 0.0 0 0.0 8 43
38 A 39 ALA A T T < TS+ 0 0 -57.3 -34.8 -178.3 42.0 75.4 33.8 35 -1.7 0 0.0 0 0.0 0 0.0 13 58
39 A 40 GLY G T g >>TS+ 0 0 -99.6 17.1 -178.3 106.6 79.1 78.7 0 0.0 44 -3.4 0 0.0 42 -0.6 14 59
40 A 41 VAL V G G X5TS+ 0 0 -61.3 -48.3 176.5 50.2 82.0 15.4 37 -1.8 43 -2.2 0 0.0 0 0.0 9 39
41 A 42 GLY G G G 35TS+ 0 0 -58.2 -26.7 -179.7 44.7 114.7 44.3 0 0.0 0 0.0 0 0.0 0 0.0 11 39
42 A 43 ALA A G G <5TS- 0 0 -104.1 10.9 -179.7 -111.0 116.9 77.8 39 -0.6 0 0.0 0 0.0 0 0.0 12 48
43 A 44 SER S T g <5TS+ 0 0 62.3 35.0 179.1 135.2 74.7 33.3 40 -2.2 45 -0.6 0 0.0 0 0.0 7 34
44 A 45 ILE I t T - 0 0 -76.9 160.8 176.0 -118.5 24.9 113.6 43 -0.6 49 -2.0 0 0.0 0 0.0 9 41
46 A 47 ASP D H H > TS+ 0 0 -61.4 -42.0 178.9 55.7 116.8 18.9 0 0.0 50 -3.7 0 0.0 0 0.0 11 39
47 A 48 ASP D H H > TS+ 0 0 -57.0 -42.9 177.6 50.6 105.3 26.8 0 0.0 51 -3.1 0 0.0 0 0.0 6 31
48 A 49 ALA A H H > TS+ 0 0 -62.0 -42.0 179.8 45.7 113.8 23.9 0 0.0 52 -1.0 0 0.0 0 0.0 9 34
49 A 50 LEU L H H X >TS+ 0 0 -69.5 -40.7 177.4 48.8 113.4 21.4 45 -2.0 54 -2.0 0 0.0 53 -0.5 14 47
50 A 51 THR T H H < >5TS+ 0 0 -63.3 -44.2 177.2 53.5 108.3 17.9 46 -3.7 53 -2.0 0 0.0 0 0.0 10 35
51 A 52 ALA A H H < 35TS+ 0 0 -59.8 -26.2 177.6 57.4 104.8 36.4 47 -3.1 0 0.0 0 0.0 0 0.0 8 28
52 A 53 ALA A H H < 35TS- 0 0 -80.5 -12.1 176.4 -94.7 129.3 52.4 48 -1.0 0 0.0 0 0.0 0 0.0 10 32
53 A 54 GLY G T h < <5TS+ 0 0 115.1 3.4 179.9 126.7 82.7 62.4 50 -2.0 0 0.0 49 -0.5 0 0.0 10 36
54 A 55 ALA A t TS- 0 0 -133.5 168.2 178.2 -113.7 77.3 155.5 0 0.0 63 -1.9 0 0.0 0 0.0 8 31
60 A 61 ALA A H H > TS+ 0 0 -67.4 -43.6 178.9 51.8 118.1 21.6 0 0.0 64 -2.6 0 0.0 0 0.0 11 42
61 A 62 ALA A H H > TS+ 0 0 -60.8 -44.9 177.8 47.5 110.1 21.3 0 0.0 65 -2.8 0 0.0 0 0.0 7 37
62 A 63 GLN Q H H 4 TS+ 0 0 -63.7 -36.7 -180.0 51.7 112.8 28.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
63 A 64 ALA A H H < TS+ 0 0 -65.7 -46.5 -177.3 30.2 120.5 23.0 59 -1.9 0 0.0 0 0.0 0 0.0 17 46
64 A 65 LEU L H H < > TS+ 0 0 -88.2 -25.0 -175.2 91.4 93.2 43.2 60 -2.6 67 -2.0 0 0.0 89 -0.7 14 48
65 A 66 SER S T h < 3 TS+ 0 0 -43.2 -48.0 -179.1 22.6 103.0 36.8 61 -2.8 0 0.0 0 0.0 0 0.0 9 40
66 A 67 GLN Q T T 3 TS+ 0 0 -103.7 11.0 -174.7 131.3 91.7 73.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39
67 A 68 ALA A t < T - 0 0 -74.5 128.8 175.8 -172.2 36.5 117.7 64 -2.0 0 0.0 0 0.0 0 0.0 13 49
68 A 69 ASP D S S S+ 0 0 -79.2 -32.2 -180.0 33.0 83.5 43.3 1 -1.5 93 -2.0 0 0.0 0 0.0 11 47
69 A 70 VAL V E E Aaa S- 2 93 -126.7 132.6 177.9 -166.0 72.0 178.0 1 -2.0 3 -2.4 0 0.0 0 0.0 10 61
70 A 71 VAL V E E Aa - 3 0 -123.5 128.1 175.7 -171.0 2.1 170.0 93 -3.3 0 0.0 0 0.0 0 0.0 13 65
71 A 72 TRP W e + 0 0 -113.4 133.3 176.1 151.9 17.8 162.9 3 -2.0 0 0.0 0 0.0 0 0.0 12 71
72 A 73 LYS K - 0 0 -151.4 171.3 -177.8 -126.6 41.8 156.1 0 0.0 0 0.0 0 0.0 0 0.0 15 69
73 A 74 VAL V S S S+ 0 0 -88.9 -70.1 179.8 29.1 87.0 20.8 0 0.0 96 -2.7 0 0.0 0 0.0 11 64
74 A 75 GLN Q B B b S- 96 0 -90.9 163.9 -179.5 -77.6 102.1 118.3 0 0.0 0 0.0 0 0.0 0 0.0 10 57
75 A 76 ARG R 0 0 -57.7 141.5 -179.8 999.9 999.9 100.6 96 -0.6 0 0.0 0 0.0 0 0.0 9 60
76!A 77 PRO P 0 0 -62.9 999.9 999.9 999.9 999.9 110.8 0 0.0 0 0.0 0 0.0 0 0.0 9 59
77!A 79 THR T g >>T 0 0 999.9 180.0 179.0 999.9 999.9 999.9 0 0.0 80 -1.6 0 0.0 82 -0.8 13 34
78 A 80 ALA A G G >5T + 0 0 -58.5 -40.4 177.6 59.6 999.9 25.8 0 0.0 81 -1.6 0 0.0 0 0.0 7 26
79 A 81 GLU E G G 35TS+ 0 0 -62.5 -19.1 -179.3 56.7 99.6 51.7 0 0.0 0 0.0 0 0.0 0 0.0 6 21
80 A 82 GLU E G G <5TS- 0 0 -97.7 1.7 176.2 -98.9 121.3 67.7 77 -1.6 0 0.0 0 0.0 0 0.0 6 20
81 A 83 GLY G T g <5TS+ 0 0 108.7 -26.5 177.5 60.5 104.7 83.9 78 -1.6 0 0.0 0 0.0 0 0.0 6 18
82 A 84 THR T S t TS+ 0 0 -80.5 -30.4 -179.3 60.0 70.2 35.3 82 -1.5 87 -0.8 0 0.0 0 0.0 9 51
85 A 87 VAL V G G > TS+ 0 0 -68.8 -29.4 177.0 64.2 94.9 28.8 0 0.0 88 -1.6 0 0.0 0 0.0 10 60
86 A 88 ALA A G G 3 TS+ 0 0 -61.3 -26.8 178.0 58.2 97.1 38.9 0 0.0 0 0.0 0 0.0 0 0.0 8 43
87 A 89 LEU L G G < TS+ 0 0 -76.1 -19.1 -179.2 96.1 85.4 48.8 84 -0.8 0 0.0 0 0.0 0 0.0 10 50
88 A 90 ILE I S g < TS- 0 0 -79.2 124.9 -179.9 -112.7 85.5 130.3 85 -1.6 0 0.0 0 0.0 0 0.0 12 54
89 A 91 LYS K t > T - 0 0 -53.7 138.2 177.2 -98.8 37.9 102.3 64 -0.7 92 -2.0 0 0.0 0 0.0 13 41
90 A 92 GLU E T T 3 TS+ 0 0 -59.3 137.7 -176.8 19.6 111.0 109.1 0 0.0 0 0.0 0 0.0 0 0.0 7 35
91 A 93 GLY G T T 3 TS+ 0 0 77.9 3.0 179.4 137.8 94.7 60.7 112 -1.4 0 0.0 0 0.0 0 0.0 10 38
92 A 94 ALA A e < T - 0 0 -74.4 171.2 177.0 -117.1 55.1 101.2 89 -2.0 115 -2.6 0 0.0 0 0.0 13 47
93 A 95 VAL V E E Bda 115 69 -110.8 128.4 179.2 999.9 999.9 165.2 68 -2.0 70 -3.3 0 0.0 0 0.0 10 61
94!A 96 LEU L E E Bd 116 0 -114.8 999.9 999.9 999.9 999.9 160.2 115 -3.0 117 -3.1 0 0.0 0 0.0 11 66
95!A 98 CYS C 0 0 999.9 179.8 174.1 999.9 999.9 999.9 0 0.0 97 -1.2 0 0.0 0 0.0 11 67
96 A 99 HIS H B B b + 74 0 -82.0 99.5 -173.2 176.9 999.9 142.5 73 -2.7 75 -0.6 0 0.0 0 0.0 10 60
97 A 100 LEU L - 0 0 -82.4 -20.6 -172.6 -139.6 32.7 57.5 95 -1.2 0 0.0 0 0.0 0 0.0 11 49
98 A 101 GLY G g > T + 0 0 56.5 37.1 -173.5 167.2 43.3 32.4 0 0.0 101 -1.6 0 0.0 0 0.0 10 41
99 A 102 ALA A G G > T + 0 0 -54.4 -46.7 -178.4 52.3 59.9 33.9 0 0.0 102 -1.1 0 0.0 0 0.0 10 45
100 A 103 LEU L G G 3 TS+ 0 0 -74.1 -0.4 -176.1 36.0 120.0 55.5 0 0.0 0 0.0 0 0.0 0 0.0 7 35
101 A 104 THR T G G < TS+ 0 0 -133.4 5.7 -179.0 65.5 109.2 76.5 98 -1.6 0 0.0 0 0.0 0 0.0 5 30
102 A 105 ASN N h > < T + 0 0 -139.1 81.5 177.6 165.3 45.7 121.4 99 -1.1 106 -1.3 0 0.0 0 0.0 9 40
103 A 106 ARG R H H > TS+ 0 0 -57.6 -50.7 179.8 62.1 73.4 25.2 0 0.0 107 -2.6 0 0.0 0 0.0 9 38
104 A 107 PRO P H H > TS+ 0 0 -48.0 -46.5 -179.3 49.0 103.6 28.5 0 0.0 108 -2.7 0 0.0 0 0.0 8 39
105 A 108 VAL V H H > TS+ 0 0 -64.6 -41.8 178.5 48.8 111.4 23.3 0 0.0 109 -2.5 0 0.0 0 0.0 12 55
106 A 109 VAL V H H X TS+ 0 0 -63.2 -41.2 178.6 48.5 113.0 23.9 102 -1.3 110 -2.7 0 0.0 0 0.0 12 58
107 A 110 GLU E H H X TS+ 0 0 -64.0 -44.7 -179.2 48.5 112.1 21.8 103 -2.6 111 -2.5 0 0.0 0 0.0 9 51
108 A 111 ALA A H H X TS+ 0 0 -61.9 -43.1 -179.5 46.8 113.5 25.1 104 -2.7 112 -1.1 0 0.0 0 0.0 10 50
109 A 112 LEU L H H < >>TS+ 0 0 -63.8 -48.4 177.9 49.9 112.3 20.4 105 -2.5 114 -2.4 0 0.0 112 -0.6 14 58
110 A 113 THR T H H < >5TS+ 0 0 -56.7 -43.4 178.7 59.7 103.9 26.6 106 -2.7 113 -2.2 0 0.0 0 0.0 15 48
111 A 114 LYS K H H < 35TS+ 0 0 -57.5 -33.8 177.9 42.5 109.7 34.1 107 -2.5 0 0.0 0 0.0 0 0.0 8 41
112 A 115 ARG R T h < <5TS- 0 0 -95.3 10.5 179.1 -116.5 116.4 79.8 108 -1.1 91 -1.4 109 -0.6 0 0.0 11 42
113 A 116 LYS K T T <5T + 0 0 59.0 35.7 178.7 163.1 56.8 38.2 110 -2.2 0 0.0 0 0.0 0 0.0 13 35
114 A 117 ILE I t T - 0 0 -117.1 150.3 -176.8 -114.8 67.5 153.5 121 -1.9 126 -1.5 0 0.0 0 0.0 6 26
124 A 129 SER S G G > TS+ 0 0 -56.7 -39.4 -179.3 56.0 112.9 28.0 0 0.0 127 -1.5 0 0.0 0 0.0 5 20
125 A 130 ARG R G G 3 TS+ 0 0 -70.7 -12.2 179.9 54.7 104.5 51.4 0 0.0 0 0.0 0 0.0 0 0.0 5 22
126 A 131 ALA A G G < TS+ 0 0 -99.3 0.3 -179.8 99.1 75.9 62.1 123 -1.5 0 0.0 0 0.0 0 0.0 10 35
127 A 132 GLN Q g < T 0 0 -53.6 -37.3 178.7 999.9 999.9 30.2 124 -1.5 0 0.0 0 0.0 0 0.0 7 34
128!A 133 SER S 0 0 -70.3 999.9 999.9 999.9 999.9 54.6 0 0.0 0 0.0 0 0.0 0 0.0 7 33
129!A 135 ASP D h > T 0 0 999.9 106.2 179.7 999.9 999.9 999.9 0 0.0 133 -1.8 0 0.0 0 0.0 9 48
130 A 136 ILE I H H > T + 0 0 -70.5 -30.8 178.5 63.7 999.9 35.7 0 0.0 134 -2.1 0 0.0 0 0.0 9 57
131 A 137 LEU L H H > TS+ 0 0 -60.5 -44.7 -177.7 38.5 109.4 22.0 0 0.0 135 -2.4 0 0.0 0 0.0 7 57
132 A 138 SER S H H > TS+ 0 0 -76.0 -35.4 178.8 52.1 114.3 27.6 0 0.0 136 -2.2 0 0.0 0 0.0 9 50
133 A 139 SER S H H X TS+ 0 0 -63.4 -41.4 -178.9 39.4 118.1 25.6 129 -1.8 137 -1.0 0 0.0 0 0.0 11 51
134 A 140 GLN Q H H X TS+ 0 0 -74.5 -40.5 177.5 52.5 114.8 23.2 130 -2.1 138 -2.0 0 0.0 0 0.0 12 55
135 A 141 SER S H H X TS+ 0 0 -60.8 -39.1 -179.2 58.2 103.1 35.7 131 -2.4 139 -2.1 0 0.0 0 0.0 11 56
136 A 142 ASN N H H X TS+ 0 0 -61.9 -40.3 179.7 45.2 108.8 23.5 132 -2.2 140 -1.6 0 0.0 0 0.0 12 52
137 A 143 LEU L H H X TS+ 0 0 -72.9 -35.3 176.6 55.5 109.4 25.0 133 -1.0 141 -2.8 0 0.0 0 0.0 14 48
138 A 144 ALA A H H X TS+ 0 0 -62.8 -37.5 179.2 52.0 105.8 27.8 134 -2.0 142 -2.1 0 0.0 0 0.0 13 60
139 A 145 GLY G H H X TS+ 0 0 -65.8 -40.8 175.4 47.3 111.2 26.3 135 -2.1 143 -1.2 0 0.0 0 0.0 14 64
140 A 146 TYR Y H H X TS+ 0 0 -61.7 -46.9 -177.3 50.1 112.6 21.8 136 -1.6 144 -1.7 0 0.0 0 0.0 12 53
141 A 147 ARG R H H X TS+ 0 0 -64.9 -33.6 177.8 62.7 100.5 32.6 137 -2.8 145 -3.2 0 0.0 0 0.0 13 56
142 A 148 ALA A H H X TS+ 0 0 -58.1 -41.0 -179.0 47.4 105.5 25.3 138 -2.1 146 -2.5 0 0.0 0 0.0 12 67
143 A 149 VAL V H H X TS+ 0 0 -69.3 -39.3 178.0 47.9 112.7 22.8 139 -1.2 147 -2.8 0 0.0 0 0.0 12 66
144 A 150 ILE I H H X TS+ 0 0 -65.3 -45.9 179.4 46.1 114.2 21.0 140 -1.7 148 -2.4 0 0.0 0 0.0 8 52
145 A 151 ASP D H H X TS+ 0 0 -63.7 -38.4 177.4 49.9 114.1 25.4 141 -3.2 149 -2.2 0 0.0 0 0.0 9 52
146 A 152 GLY G H H X TS+ 0 0 -62.7 -49.2 178.1 45.8 112.2 19.5 142 -2.5 150 -1.3 0 0.0 0 0.0 12 61
147 A 153 ALA A H H < TS+ 0 0 -62.0 -36.6 177.1 53.7 111.8 29.5 143 -2.8 0 0.0 0 0.0 0 0.0 10 47
148 A 154 TYR Y H H < TS+ 0 0 -66.3 -39.8 -178.4 42.7 112.6 26.1 144 -2.4 0 0.0 0 0.0 0 0.0 7 36
149 A 155 GLU E H H < TS+ 0 0 -82.2 -12.6 -175.7 90.0 98.5 53.1 145 -2.2 0 0.0 0 0.0 0 0.0 8 37
150 A 156 PHE F h < T - 0 0 -90.7 138.8 -177.2 -145.9 67.0 133.6 146 -1.3 0 0.0 0 0.0 0 0.0 11 41
151 A 157 ALA A S S S+ 0 0 -87.9 14.8 174.9 63.6 79.1 78.7 0 0.0 0 0.0 0 0.0 0 0.0 7 29
152 A 158 ARG R S S S- 0 0 -128.3 161.4 177.7 -101.5 90.3 155.9 0 0.0 0 0.0 0 0.0 0 0.0 5 34
153 A 159 ALA A - 0 0 -80.3 154.7 178.3 -133.1 22.3 118.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34
154 A 160 PHE F 0 0 -70.2 -52.9 -177.3 999.9 999.9 19.8 0 0.0 164 -3.2 0 0.0 0 0.0 11 40
155!A 161 PRO P 0 0 -76.4 999.9 999.9 999.9 999.9 111.9 0 0.0 0 0.0 0 0.0 0 0.0 8 32
156!A 165 THR T t > T 0 0 999.9 168.4 176.7 999.9 999.9 999.9 0 0.0 159 -0.8 0 0.0 0 0.0 4 9
157 A 166 ALA A T T 3 T + 0 0 -73.1 -22.5 179.7 58.7 999.9 38.9 0 0.0 0 0.0 0 0.0 0 0.0 4 5
158 A 167 ALA A T T 3 TS- 0 0 -78.3 -21.7 -180.0 -79.1 126.3 43.3 0 0.0 0 0.0 0 0.0 0 0.0 4 6
159 A 168 GLY G t < T - 0 0 145.0 -178.7 -178.5 -62.5 54.0 148.7 156 -0.8 0 0.0 0 0.0 0 0.0 5 8
160 A 169 THR T - 0 0 -105.3 140.1 177.2 -156.0 31.6 143.8 0 0.0 0 0.0 0 0.0 0 0.0 6 13
161 A 170 VAL V - 0 0 -113.3 127.0 -175.6 -120.8 27.3 162.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
162 A 171 PRO P - 0 0 -69.2 154.4 -180.0 -100.2 29.2 108.7 0 0.0 0 0.0 0 0.0 0 0.0 5 23
163 A 172 PRO P - 0 0 -65.9 161.5 175.0 -101.2 41.1 101.5 0 0.0 0 0.0 0 0.0 0 0.0 10 32
164 A 173 ALA A - 0 0 -81.0 156.8 176.7 -129.9 30.5 121.9 154 -3.2 188 -2.7 0 0.0 0 0.0 14 47
165 A 174 ARG R B e c - 188 0 -109.3 128.1 -177.2 -167.6 23.4 158.5 0 0.0 246 -2.3 0 0.0 247 -2.1 12 54
166 A 175 VAL V E E Cf - 247 0 -119.0 135.5 176.3 -164.3 8.9 164.2 188 -2.9 168 -0.5 0 0.0 0 0.0 13 69
167 A 176 LEU L E E Cf - 248 0 -121.3 114.3 180.0 -160.6 8.4 167.2 247 -2.3 249 -2.6 0 0.0 169 -0.6 14 73
168 A 177 VAL V E E Cf - 249 0 -99.5 122.6 179.2 -160.2 1.5 149.8 166 -0.5 191 -2.1 0 0.0 170 -0.6 15 79
169 A 178 PHE F E E Cfd + 250 191 -104.5 113.5 -178.2 22.8 69.3 154.1 249 -3.1 251 -2.9 167 -0.6 0 0.0 14 74
170 A 179 GLY G - 0 0 97.1 110.5 -177.1 -148.8 66.5 59.5 191 -3.2 0 0.0 168 -0.6 0 0.0 12 71
171 A 180 VAL V + 0 0 -112.5 59.2 175.3 121.7 52.6 117.9 0 0.0 0 0.0 0 0.0 0 0.0 15 64
172 A 181 GLY G S h > TS- 0 0 -90.6 -150.8 179.0 -57.5 89.0 91.3 0 0.0 176 -2.4 0 0.0 0 0.0 8 58
173 A 182 VAL V H H > TS+ 0 0 -61.0 -49.1 -179.0 42.4 140.9 20.9 0 0.0 177 -1.6 0 0.0 0 0.0 10 55
174 A 183 ALA A H H > TS+ 0 0 -64.8 -45.6 179.4 51.4 113.9 19.6 0 0.0 178 -2.6 0 0.0 0 0.0 15 58
175 A 184 GLY G H H > TS+ 0 0 -59.9 -40.5 179.3 53.2 107.5 27.5 0 0.0 179 -2.5 0 0.0 0 0.0 15 69
176 A 185 LEU L H H X TS+ 0 0 -62.4 -39.9 178.6 46.3 110.9 27.5 172 -2.4 180 -2.3 0 0.0 0 0.0 13 55
177 A 186 GLN Q H H X TS+ 0 0 -72.9 -35.8 176.9 54.1 109.5 30.2 173 -1.6 181 -2.7 0 0.0 0 0.0 12 57
178 A 187 ALA A H H X TS+ 0 0 -62.7 -40.5 177.6 49.0 109.9 21.7 174 -2.6 182 -2.6 0 0.0 0 0.0 15 69
179 A 188 ILE I H H X TS+ 0 0 -60.6 -52.4 -178.4 46.2 112.6 13.7 175 -2.5 183 -3.0 0 0.0 0 0.0 14 64
180 A 189 ALA A H H X TS+ 0 0 -57.2 -47.1 179.6 44.6 116.2 25.6 176 -2.3 184 -2.6 0 0.0 0 0.0 9 49
181 A 190 THR T H H X TS+ 0 0 -67.1 -38.5 177.7 49.6 113.4 29.0 177 -2.7 185 -1.5 0 0.0 0 0.0 10 49
182 A 191 ALA A H H < >TS+ 0 0 -67.0 -39.3 176.7 47.5 113.5 21.6 178 -2.6 187 -2.3 0 0.0 0 0.0 14 58
183 A 192 LYS K H H < >5TS+ 0 0 -65.5 -40.1 175.4 58.0 106.1 23.2 179 -3.0 186 -2.3 0 0.0 0 0.0 13 45
184 A 193 ARG R H H < 35TS+ 0 0 -53.0 -40.0 179.0 51.2 105.6 27.3 180 -2.6 0 0.0 0 0.0 0 0.0 7 33
185 A 194 LEU L T h < 35TS- 0 0 -83.2 8.4 176.3 -107.8 122.4 71.4 181 -1.5 0 0.0 0 0.0 0 0.0 8 39
186 A 195 GLY G T T <5T + 0 0 77.5 16.8 178.8 151.5 66.1 49.1 183 -2.3 0 0.0 0 0.0 0 0.0 10 33
187 A 196 ALA A t T - 0 0 -91.1 120.6 -177.5 -151.2 69.3 138.5 0 0.0 197 -1.3 0 0.0 0 0.0 9 45
195 A 205 ALA A T T > TS+ 0 0 -54.7 -44.8 179.3 63.5 90.6 29.1 193 -0.6 198 -1.5 0 0.0 0 0.0 8 35
196 A 206 ALA A T h > 3 TS+ 0 0 -55.5 -22.9 178.9 74.5 86.9 49.3 0 0.0 200 -0.8 0 0.0 0 0.0 6 38
197 A 207 THR T H H > < TS+ 0 0 -60.3 -37.0 179.5 74.8 79.1 32.6 194 -1.3 201 -2.6 0 0.0 0 0.0 9 47
198 A 208 LYS K H H > < TS+ 0 0 -45.7 -51.8 179.5 46.4 95.7 27.4 195 -1.5 202 -2.4 0 0.0 0 0.0 9 38
199 A 209 GLU E H H > TS+ 0 0 -67.4 -30.4 175.6 54.0 110.5 35.3 0 0.0 203 -2.1 0 0.0 0 0.0 7 29
200 A 210 GLN Q H H X TS+ 0 0 -68.3 -40.5 176.8 47.8 109.7 23.3 196 -0.8 204 -0.8 0 0.0 0 0.0 9 35
201 A 211 VAL V H H < >>TS+ 0 0 -62.0 -46.7 179.6 47.0 113.2 21.3 197 -2.6 206 -2.6 0 0.0 204 -0.9 15 42
202 A 212 GLU E H H < >5TS+ 0 0 -65.8 -33.7 177.0 62.9 103.9 25.9 198 -2.4 205 -1.7 0 0.0 0 0.0 10 31
203 A 213 SER S H H < 35TS+ 0 0 -61.6 -28.4 178.7 46.7 104.9 40.3 199 -2.1 0 0.0 0 0.0 0 0.0 7 25
204 A 214 LEU L T h < <5TS- 0 0 -93.6 1.6 177.7 -102.1 125.1 66.1 201 -0.9 0 0.0 200 -0.8 0 0.0 9 36
205 A 215 GLY G T T <5TS+ 0 0 91.6 11.8 -179.1 128.1 80.8 51.6 202 -1.7 0 0.0 0 0.0 0 0.0 8 34
206 A 216 GLY G t T - 0 0 -81.9 178.3 -178.6 -85.5 39.0 106.6 223 -3.8 222 -1.8 0 0.0 0 0.0 9 25
220 A 232 ALA A T T 3 TS+ 0 0 -56.6 -33.2 -179.9 54.6 127.1 37.9 0 0.0 0 0.0 0 0.0 0 0.0 5 17
221 A 233 GLY G T T 3 TS- 0 0 -85.3 7.6 -179.2 -96.4 125.3 72.9 0 0.0 0 0.0 0 0.0 0 0.0 6 30
222 A 234 GLY G S t < TS+ 0 0 85.7 16.7 -175.5 137.9 86.1 52.3 219 -1.8 0 0.0 0 0.0 0 0.0 7 32
223 A 235 TYR Y - 0 0 -102.1 148.5 179.3 -142.2 43.5 133.1 0 0.0 219 -3.8 0 0.0 0 0.0 9 37
224 A 236 ALA A + 0 0 -101.8 -174.9 -175.6 177.7 23.2 105.1 0 0.0 0 0.0 0 0.0 0 0.0 12 38
225 A 237 LYS K 0 0 -152.6 -167.5 175.6 999.9 999.9 138.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
226!A 238 GLU E 0 0 -76.4 999.9 999.9 999.9 999.9 132.3 0 0.0 0 0.0 0 0.0 0 0.0 5 32
227!A 240 GLY G h > T 0 0 999.9 160.6 -179.6 999.9 999.9 999.9 0 0.0 231 -1.8 0 0.0 0 0.0 5 24
228 A 241 GLU E H H > T + 0 0 -65.1 -40.8 178.5 63.3 999.9 25.9 0 0.0 232 -2.2 0 0.0 0 0.0 5 19
229 A 242 GLU E H H > TS+ 0 0 -48.1 -56.6 178.7 41.6 107.3 21.4 0 0.0 233 -1.5 0 0.0 0 0.0 6 20
230 A 243 PHE F H H > TS+ 0 0 -59.1 -49.3 179.6 59.0 109.5 22.2 0 0.0 234 -2.8 0 0.0 0 0.0 8 31
231 A 244 ARG R H H X TS+ 0 0 -50.2 -43.8 177.9 47.0 106.8 28.8 227 -1.8 235 -1.5 0 0.0 0 0.0 9 36
232 A 245 LYS K H H X TS+ 0 0 -66.6 -39.1 179.9 47.5 114.5 26.8 228 -2.2 236 -1.2 0 0.0 0 0.0 8 25
233 A 246 LYS K H H X TS+ 0 0 -69.7 -37.6 179.2 52.7 109.1 33.2 229 -1.5 237 -1.1 0 0.0 0 0.0 9 28
234 A 247 GLN Q H H X TS+ 0 0 -67.9 -36.0 178.3 56.4 105.1 29.5 230 -2.8 238 -1.3 0 0.0 0 0.0 10 44
235 A 248 ALA A H H X TS+ 0 0 -62.3 -40.5 179.4 61.0 100.9 26.8 231 -1.5 239 -2.1 0 0.0 0 0.0 10 42
236 A 249 GLU E H H X TS+ 0 0 -53.2 -59.8 -178.5 35.3 108.9 24.2 232 -1.2 240 -0.8 0 0.0 0 0.0 8 30
237 A 250 ALA A H H X TS+ 0 0 -69.7 -30.6 178.3 58.7 114.8 39.0 233 -1.1 241 -0.8 0 0.0 0 0.0 11 33
238 A 251 VAL V H H X > TS+ 0 0 -64.3 -43.1 -179.5 64.9 94.9 24.7 234 -1.3 242 -3.9 0 0.0 241 -0.8 9 47
239 A 252 LEU L H H X 3 TS+ 0 0 -49.1 -47.1 -178.7 57.5 95.2 28.5 235 -2.1 243 -2.9 0 0.0 0 0.0 8 37
240 A 253 LYS K H H < 3 TS+ 0 0 -55.6 -40.0 177.8 31.5 118.6 28.6 236 -0.8 0 0.0 0 0.0 0 0.0 8 32
241 A 254 GLU E H H X X TS+ 0 0 -84.2 -37.2 -177.6 58.6 116.1 27.2 237 -0.8 244 -1.4 238 -0.8 245 -0.8 9 40
242 A 255 LEU L H H < > TS+ 0 0 -63.4 -32.0 177.1 61.8 97.0 33.5 238 -3.9 245 -0.6 0 0.0 0 0.0 10 47
243 A 256 VAL V T h < 3 TS+ 0 0 -65.5 -25.9 177.2 35.1 114.2 38.5 239 -2.9 0 0.0 0 0.0 0 0.0 8 36
244 A 257 LYS K T T 4 < TS+ 0 0 -106.6 3.7 -178.3 117.5 94.8 62.9 241 -1.4 0 0.0 0 0.0 0 0.0 8 34
245 A 258 THR T t < < T - 0 0 -72.4 142.6 174.9 -172.7 41.0 112.2 241 -0.8 0 0.0 242 -0.6 0 0.0 13 55
246 A 259 ASP D S e S+ 0 0 -96.1 -43.1 -179.0 24.2 77.9 37.6 165 -2.3 274 -2.8 0 0.0 0 0.0 12 61
247 A 260 ILE I E E Cfg - 166 274 -127.3 116.9 175.7 -168.4 65.3 168.1 165 -2.1 167 -2.3 0 0.0 249 -0.5 14 70
248 A 261 ALA A E E Cfg - 167 275 -105.3 126.8 179.0 -168.2 5.3 158.4 274 -2.7 276 -3.2 0 0.0 250 -0.5 13 83
249 A 262 ILE I E E Cfg - 168 276 -115.6 112.6 -176.4 -167.0 4.7 168.6 167 -2.6 169 -3.1 247 -0.5 0 0.0 16 83
250 A 263 THR T E E Cfg + 169 277 -108.0 131.1 -174.5 156.9 21.8 154.7 276 -2.5 278 -1.9 248 -0.5 279 -0.5 15 76
251 A 264 THR T e + 0 0 -133.3 8.9 -172.9 140.2 22.4 74.1 169 -2.9 0 0.0 0 0.0 0 0.0 15 72
252 A 265 ALA A + 0 0 -74.2 132.9 178.2 169.1 19.2 113.3 0 0.0 0 0.0 0 0.0 0 0.0 12 64
253 A 266 LEU L - 0 0 -132.4 158.6 177.1 -152.3 21.3 154.8 0 0.0 0 0.0 0 0.0 0 0.0 11 50
254 A 267 ILE I B B E > T - 257 0 -135.2 120.1 -179.5 -102.7 36.8 168.2 257 -0.5 257 -2.0 0 0.0 0 0.0 12 41
255 A 268 PRO P T T 3 TS- 0 0 -44.9 123.0 176.3 -3.0 101.5 97.7 0 0.0 0 0.0 0 0.0 0 0.0 7 34
256 A 269 GLY G T T 3 TS+ 0 0 69.1 18.3 -179.8 87.1 116.7 51.8 0 0.0 0 0.0 0 0.0 0 0.0 4 26
257 A 270 LYS K B B E < TS- 254 0 -140.5 162.1 175.2 -86.0 85.6 164.5 254 -2.0 254 -0.5 0 0.0 0 0.0 6 23
258 A 271 PRO P - 0 0 -60.4 155.8 -179.5 -84.8 64.3 101.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30
259 A 272 ALA A - 0 0 -64.6 146.6 178.2 -101.6 50.9 112.7 282 -2.5 0 0.0 0 0.0 0 0.0 12 42
260 A 273 PRO P - 0 0 -69.7 144.5 178.2 -115.8 31.7 113.4 0 0.0 262 -0.7 0 0.0 0 0.0 10 47
261 A 274 VAL V + 0 0 -84.5 112.1 -174.5 156.7 47.7 137.5 0 0.0 0 0.0 0 0.0 0 0.0 9 52
262 A 275 LEU L + 0 0 -110.9 -26.8 178.5 41.5 65.3 52.1 285 -2.5 0 0.0 260 -0.7 0 0.0 10 61
263 A 276 ILE I S S S- 0 0 -126.9 98.1 -179.3 -161.4 75.8 148.0 285 -2.3 0 0.0 0 0.0 0 0.0 10 62
264 A 277 THR T - 0 0 -72.0 166.5 176.5 -108.6 34.4 107.3 0 0.0 0 0.0 0 0.0 0 0.0 8 41
265 A 278 GLU E 0 0 -59.4 -40.7 174.7 999.9 999.9 25.3 0 0.0 268 -2.0 0 0.0 0 0.0 8 34
266!A 279 GLU E 0 0 -51.4 999.9 999.9 999.9 999.9 19.9 0 0.0 269 -0.7 0 0.0 0 0.0 6 28
267!A 281 VAL V 0 0 999.9 -30.9 176.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
268 A 282 THR T 0 0 -55.8 -31.5 -179.4 999.9 999.9 35.3 265 -2.0 0 0.0 0 0.0 0 0.0 5 35
269!A 283 LYS K 0 0 -84.5 999.9 999.9 999.9 999.9 61.4 266 -0.7 0 0.0 0 0.0 0 0.0 6 34
270!A 285 LYS K t > T 0 0 999.9 141.3 177.5 999.9 999.9 999.9 0 0.0 273 -2.1 0 0.0 0 0.0 10 34
271 A 286 PRO P T T 3 T + 0 0 -63.2 138.8 -176.4 40.3 999.9 116.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
272 A 287 GLY G T T 3 TS+ 0 0 100.1 -12.7 179.4 134.2 87.7 79.9 299 -3.3 0 0.0 0 0.0 0 0.0 10 38
273 A 288 SER S e < T - 0 0 -70.4 156.2 -180.0 -146.8 43.1 102.0 270 -2.1 301 -2.2 0 0.0 0 0.0 12 51
274 A 289 VAL V E E Cgh - 247 301 -131.7 138.8 178.5 -162.0 9.6 169.1 246 -2.8 248 -2.7 0 0.0 0 0.0 14 60
275 A 290 ILE I E E Cgh - 248 302 -116.5 125.0 177.9 -161.1 5.2 168.7 301 -2.8 303 -3.3 0 0.0 277 -0.7 13 76
276 A 291 ILE I E E Cgh - 249 303 -106.6 107.3 -177.5 -163.4 7.8 163.2 248 -3.2 250 -2.5 0 0.0 278 -1.1 14 76
277 A 292 ASP D E E Cg > T + 250 0 -96.9 91.9 178.1 173.3 15.6 137.6 303 -3.1 280 -1.6 275 -0.7 0 0.0 16 70
278 A 293 LEU L T e 3 TS+ 0 0 -68.2 -12.6 178.3 59.7 78.6 49.6 250 -1.9 0 0.0 276 -1.1 0 0.0 14 74
279 A 294 ALA A T g >>T + 0 0 -97.5 11.8 -178.0 116.6 69.5 72.2 250 -0.5 284 -2.5 0 0.0 282 -1.7 13 60
280 A 295 VAL V G G X5TS+ 0 0 -50.0 -41.3 -177.8 55.5 70.3 36.5 277 -1.6 283 -1.6 0 0.0 0 0.0 15 51
281 A 296 GLU E G G 35TS+ 0 0 -69.3 -23.2 174.6 51.6 105.8 41.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44
282 A 297 ALA A G G <5TS- 0 0 -93.9 17.2 -179.9 -75.3 142.1 83.3 279 -1.7 259 -2.5 0 0.0 0 0.0 8 36
283 A 298 GLY G T g <5TS- 0 0 107.7 -12.0 178.8 -98.6 76.2 71.7 280 -1.6 0 0.0 0 0.0 0 0.0 9 38
284 A 299 GLY G t TS- 0 0 -124.1 122.3 179.4 -143.4 80.7 168.6 0 0.0 289 -2.2 0 0.0 0 0.0 12 57
287 A 302 PRO P T T 3 TS+ 0 0 -57.2 -20.8 178.0 63.7 97.3 44.1 0 0.0 0 0.0 0 0.0 0 0.0 10 44
288 A 303 LEU L T T 3 TS+ 0 0 -80.1 -14.5 179.6 102.1 79.7 50.9 0 0.0 0 0.0 0 0.0 0 0.0 7 45
289 A 304 SER S t < T - 0 0 -72.1 144.4 179.0 -164.8 54.2 117.6 286 -2.2 0 0.0 0 0.0 0 0.0 14 46
290 A 305 GLU E t > T - 0 0 -131.7 127.7 -178.3 -97.6 32.0 174.7 0 0.0 293 -2.4 0 0.0 0 0.0 11 37
291 A 306 PRO P T T 3 TS+ 0 0 -47.8 125.3 177.0 4.1 105.4 96.1 0 0.0 0 0.0 0 0.0 0 0.0 9 33
292 A 307 GLY G T T 3 TS+ 0 0 81.9 -1.3 -177.1 98.3 112.9 64.9 304 -2.4 0 0.0 0 0.0 0 0.0 7 35
293 A 308 LYS K e < T - 0 0 -119.2 166.4 169.7 -136.0 66.6 140.7 290 -2.4 304 -2.5 0 0.0 295 -0.6 9 34
294 A 309 ILE I E E CI - 303 0 -112.1 110.5 -179.7 -160.5 32.5 170.7 0 0.0 0 0.0 0 0.0 0 0.0 11 40
295 A 310 VAL V E E CI - 302 0 -96.4 138.3 179.5 -154.1 4.0 144.7 302 -3.3 302 -4.1 293 -0.6 297 -0.5 11 37
296 A 311 VAL V E E CI + 301 0 -113.4 119.5 177.3 149.3 29.0 164.9 0 0.0 0 0.0 0 0.0 0 0.0 8 34
297 A 312 LYS K E E CI > T + 300 0 -154.1 134.9 -179.7 2.8 63.9 161.4 300 -2.5 300 -1.4 295 -0.5 0 0.0 7 30
298 A 313 HIS H T T 3 TS- 0 0 63.8 31.9 -177.5 -59.8 129.0 31.5 0 0.0 0 0.0 0 0.0 0 0.0 7 28
299 A 314 GLY G T T 3 TS+ 0 0 72.2 11.1 -178.7 117.0 114.9 55.7 0 0.0 272 -3.3 0 0.0 0 0.0 9 28
300 A 315 VAL V E E C I< T - 0 297 -112.4 139.5 174.4 -135.4 62.6 153.5 297 -1.4 297 -2.5 0 0.0 302 -0.6 13 45
301 A 316 LYS K E E ChI - 274 296 -90.8 119.6 179.0 -162.7 16.0 145.1 273 -2.2 275 -2.8 0 0.0 303 -0.7 13 50
302 A 317 ILE I E E ChI - 275 295 -107.0 105.4 -171.6 -160.8 12.0 159.0 295 -4.1 295 -3.3 300 -0.6 0 0.0 14 58
303 A 318 VAL V E E ChI + 276 294 -94.3 125.3 -177.1 166.3 21.4 142.8 275 -3.3 277 -3.1 301 -0.7 0 0.0 13 56
304 A 319 GLY G e + 0 0 -135.5 51.4 179.8 174.2 9.1 108.5 293 -2.5 292 -2.4 0 0.0 0 0.0 15 53
305 A 320 HIS H - 0 0 -58.3 146.9 175.0 -130.0 26.7 106.0 0 0.0 0 0.0 0 0.0 0 0.0 12 53
306 A 321 THR T S S S+ 0 0 -90.6 157.8 175.2 17.6 82.4 125.6 0 0.0 0 0.0 0 0.0 0 0.0 8 45
307 A 322 ASN N g > > T - 0 0 43.8 62.1 179.2 -178.1 68.8 27.2 0 0.0 310 -1.3 0 0.0 311 -0.6 8 56
308 A 323 VAL V G G 4 > TS+ 0 0 -59.4 -40.0 175.8 62.8 75.2 28.0 0 0.0 311 -2.0 0 0.0 0 0.0 10 62
309 A 324 PRO P G G 4 > TS+ 0 0 -53.7 -35.4 178.9 60.5 96.1 34.1 0 0.0 312 -1.5 0 0.0 0 0.0 12 60
310 A 325 SER S G G 4 X TS+ 0 0 -68.7 -16.1 173.9 67.7 90.6 44.1 307 -1.3 313 -1.3 0 0.0 0 0.0 11 56
311 A 326 ARG R G G < < TS+ 0 0 -76.2 -9.2 174.2 37.7 110.0 51.5 308 -2.0 0 0.0 307 -0.6 0 0.0 8 44
312 A 327 VAL V G h > X TS+ 0 0 -125.2 36.7 -174.2 143.3 81.7 101.4 309 -1.5 316 -3.0 0 0.0 315 -1.7 11 44
313 A 328 ALA A H H > < T + 0 0 -54.7 -34.3 -177.0 59.7 61.6 42.8 310 -1.3 317 -2.4 0 0.0 0 0.0 13 48
314 A 329 ALA A H H 4 3 TS+ 0 0 -75.9 -13.7 170.9 30.8 119.0 49.2 0 0.0 0 0.0 0 0.0 0 0.0 11 43
315 A 330 ASP D H H > < TS+ 0 0 -102.5 -35.7 -179.9 57.2 118.1 45.9 312 -1.7 319 -1.4 0 0.0 0 0.0 9 43
316 A 331 ALA A H H X TS+ 0 0 -61.6 -38.5 -178.3 55.4 102.6 28.0 312 -3.0 320 -2.4 0 0.0 0 0.0 14 54
317 A 332 SER S H H X TS+ 0 0 -65.3 -51.8 179.0 47.9 105.3 17.6 313 -2.4 321 -2.9 0 0.0 0 0.0 14 60
318 A 333 PRO P H H > TS+ 0 0 -58.8 -37.3 -179.8 47.0 115.3 31.0 0 0.0 322 -1.9 0 0.0 0 0.0 12 53
319 A 334 LEU L H H X TS+ 0 0 -72.7 -40.5 176.6 48.8 111.8 25.5 315 -1.4 323 -2.5 0 0.0 0 0.0 10 50
320 A 335 PHE F H H X TS+ 0 0 -62.7 -44.3 177.5 51.5 111.6 20.4 316 -2.4 324 -2.1 0 0.0 0 0.0 14 59
321 A 336 ALA A H H X TS+ 0 0 -58.1 -42.1 178.8 48.2 110.5 24.9 317 -2.9 325 -2.4 0 0.0 0 0.0 13 64
322 A 337 LYS K H H X TS+ 0 0 -68.8 -34.5 176.3 56.1 106.8 26.2 318 -1.9 326 -3.3 0 0.0 0 0.0 11 44
323 A 338 ASN N H H X TS+ 0 0 -59.6 -44.5 -179.6 45.2 110.9 20.2 319 -2.5 327 -1.8 0 0.0 0 0.0 11 52
324 A 339 LEU L H H X TS+ 0 0 -64.2 -43.9 178.9 48.4 114.1 25.5 320 -2.1 328 -1.9 0 0.0 0 0.0 10 63
325 A 340 LEU L H H X TS+ 0 0 -62.9 -42.7 -179.9 51.9 109.7 23.8 321 -2.4 329 -3.0 0 0.0 0 0.0 10 53
326 A 341 ASN N H H < TS+ 0 0 -65.3 -34.7 177.3 46.6 112.3 28.7 322 -3.3 0 0.0 0 0.0 0 0.0 9 40
327 A 342 PHE F H H < TS+ 0 0 -73.5 -35.4 -175.6 39.2 119.7 32.6 323 -1.8 0 0.0 0 0.0 0 0.0 9 57
328 A 343 LEU L H H < > TS+ 0 0 -83.8 -41.2 -176.3 75.7 96.9 28.0 324 -1.9 331 -1.8 0 0.0 0 0.0 8 59
329 A 344 THR T G h < > TS+ 0 0 -42.4 -52.4 179.5 57.6 88.3 33.8 325 -3.0 332 -2.1 0 0.0 0 0.0 7 38
330 A 345 PRO P G T 3 TS+ 0 0 -53.5 -29.3 -177.7 52.2 105.7 42.6 0 0.0 0 0.0 0 0.0 0 0.0 6 32
331 A 346 HIS H G e < TS+ 0 0 -90.3 -2.0 180.0 107.5 84.8 59.3 328 -1.8 340 -1.7 0 0.0 0 0.0 8 33
332 A 347 VAL V E E DJ < T - 339 0 -84.8 136.5 176.9 -163.4 49.7 124.8 329 -2.1 334 -0.6 0 0.0 0 0.0 11 33
333 A 348 ASP D E E >DJ >T - 338 0 -115.4 95.8 -173.5 -166.6 6.9 155.9 338 -1.9 337 -1.7 0 0.0 338 -1.3 10 22
334 A 349 LYS K T T 4 5TS+ 0 0 -55.0 -47.4 -177.5 46.9 80.6 29.8 332 -0.6 0 0.0 0 0.0 0 0.0 8 21
335 A 350 ASP D T T 4 5TS+ 0 0 -68.4 -36.4 179.3 37.4 120.2 31.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
336 A 351 THR T T T 4 5TS- 0 0 -86.5 -17.8 -178.4 -138.3 98.6 51.1 0 0.0 0 0.0 0 0.0 0 0.0 5 14
337 A 352 LYS K T T < 5T + 0 0 57.3 49.4 179.8 136.1 56.6 16.7 333 -1.7 0 0.0 0 0.0 0 0.0 9 25
338 A 353 THR T E E DJ T 0 0 999.9 113.2 -178.4 999.9 999.9 999.9 0 0.0 344 -1.5 0 0.0 0 0.0 6 24
342 A 358 LEU L T T 3 T + 0 0 -59.5 -32.9 179.4 55.4 999.9 36.1 0 0.0 0 0.0 0 0.0 0 0.0 6 26
343 A 359 GLU E T T 3 TS+ 0 0 -77.9 -13.6 175.9 107.9 81.9 46.5 0 0.0 0 0.0 0 0.0 0 0.0 6 15
344 A 360 ASP D h > X T - 0 0 -65.3 122.9 178.8 -143.1 69.2 117.9 341 -1.5 348 -2.6 0 0.0 347 -0.5 7 27
345 A 361 GLU E H H > 3 TS+ 0 0 -57.2 -36.1 179.3 54.9 99.9 35.9 0 0.0 349 -2.3 0 0.0 0 0.0 8 28
346 A 362 THR T H H > 3 TS+ 0 0 -67.8 -34.3 179.0 46.2 111.2 30.9 0 0.0 350 -0.9 0 0.0 0 0.0 9 39
347 A 363 VAL V H H > < TS+ 0 0 -69.8 -49.4 -179.5 42.4 116.6 19.3 344 -0.5 351 -2.2 0 0.0 0 0.0 11 42
348 A 364 SER S H H < TS+ 0 0 -68.5 -32.8 -179.0 52.9 113.3 30.5 344 -2.6 0 0.0 0 0.0 0 0.0 9 33
349 A 365 GLY G H H < TS+ 0 0 -73.6 -23.8 -173.8 32.2 120.1 36.5 345 -2.3 0 0.0 0 0.0 0 0.0 8 39
350 A 366 THR T H H < TS+ 0 0 -109.1 -24.5 -178.9 101.7 87.2 48.7 346 -0.9 118 -2.7 0 0.0 0 0.0 11 47
351 A 367 CYS C E E T - 0 357 -151.5 123.8 179.2 -16.9 65.9 167.4 357 -2.4 357 -2.0 0 0.0 0 0.0 13 43
355 A 371 ASP D T T 3 TS- 0 0 52.7 41.2 177.4 -46.3 127.4 40.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32
356 A 372 GLY G T T 3 TS+ 0 0 84.7 7.8 176.7 100.3 119.2 58.6 0 0.0 0 0.0 0 0.0 0 0.0 12 35
357 A 373 ALA A E E BK < TS- 354 0 -128.0 127.6 179.6 -120.7 74.2 171.8 354 -2.0 354 -2.4 0 0.0 0 0.0 8 34
358 A 374 ILE I E E BK + 353 0 -64.7 138.3 -178.9 179.8 29.1 113.6 0 0.0 0 0.0 0 0.0 0 0.0 11 40
359 A 375 VAL V e + 0 0 -107.3 -49.9 -178.2 84.8 53.9 39.3 352 -2.7 0 0.0 0 0.0 0 0.0 10 38
360 A 376 HIS H S g > TS- 0 0 -61.6 125.2 179.0 -136.1 76.9 115.4 352 -1.4 363 -2.3 0 0.0 0 0.0 9 41
361 A 377 PRO P G G > TS+ 0 0 -51.6 -30.3 179.1 54.0 100.8 43.7 0 0.0 364 -0.6 0 0.0 0 0.0 6 25
362 A 378 ALA A G G 3 TS+ 0 0 -81.8 -13.3 -176.6 61.2 101.4 52.4 0 0.0 0 0.0 0 0.0 0 0.0 5 28
363 A 379 LEU L G G < TS+ 0 0 -95.3 -1.1 177.7 112.9 74.1 65.0 360 -2.3 0 0.0 0 0.0 0 0.0 11 39
364 A 380 THR T g < T + 0 0 -65.6 152.2 -179.1 95.1 46.2 112.5 361 -0.6 0 0.0 0 0.0 0 0.0 8 29
365 A 381 GLY G - 0 0 158.3 -169.1 -178.3 -47.3 68.9 170.7 0 0.0 0 0.0 0 0.0 0 0.0 4 27
366 A 382 GLN Q - 0 0 -98.0 154.4 177.5 -104.1 55.1 133.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20
367 A 383 GLY G 0 0 -67.3 163.4 -179.8 999.9 999.9 106.3 0 0.0 0 0.0 0 0.0 0 0.0 4 21
368 A 384 ALA A 0 0 -85.5 999.9 999.9 999.9 999.9 114.5 0 0.0 0 0.0 0 0.0 0 0.0 3 18
1f8gA.pdb
1F8G OXIDOREDUCTASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEE STT S HHHHHHHHHTT EEEETTTTGGGT HHHHHHHT EEESSHHHHHTT SEE SB GGGTS SGGGS TT EE B GG Kabs/Sand
chirality ------+-++++--+--+++++++++-+------++++++-+--++++++-+----+-+++++++-+--+-+- ++-+-+++++--++- +-+++ chirality
bends SSS S SSSSSSSSSSS SSSSSSSS SSSSSSSS SSSSSSSSS SS SS SSSS SSSSS SS S bends
turns TTTT TTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTT TTTTTT TTTTTTTTT TTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >3><>X3<< >33< >33< >>3<< >>3<<>33< >>3 3-turns
bridge-2 bbb ccc a a bridge-2
bridge-1 aa bbb ccc aa b dd b bridge-1
sheets AAA AAAA AAA AA BB sheets
4-turns >>>>XXX<<<< >>>>X<<<< >>>4<<< 4-turns
summary eEEE tTTt S hHHHHHHHHHhTteEEEEeTTgGGGgthHHHHHHHhtEEEShHHHHHhTtSEEe SB gGGGgt gGGGgtTTeEE B gGG summary
sequence KIAIPKERRPGEDRVAISPEVVKKLVGLGFEVIVEQGAGVGASITDDALTAAGATIASTAAQALSQADVVWKVQRPTAEEGTDEVALIKEGAVLCHLGAL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand G HHHHHHHHHTT EEE GGG HHHHHHHHHHHHHHHHHHHH SS TT BEEEE SHHHHHHHHHHHHTT B B S TTHHHH Kabs/Sand
chirality +++++++++++-+--- +-+++ ++++++++++++++++++++-+-- +-----------+-+-++++++++++++-+- +-+-++++++ chirality
bends S SSSSSSSSSS SSS SSSSSSSSSSSSSSSSSSS SS S SSSSSSSSSSSSSS S SSSSSS bends
turns TTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTT TTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns << >>3<< >>3<< >33< >33< >>3<< 3-turns
bridge-2 EE d bridge-2
bridge-1 dd cffff c d bridge-1
sheets BBB CCCC sheets
4-turns >>>>XXX<<<< >>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXX<<<< >>>>X 4-turns
summary GhHHHHHHHHHhTtEEEe gGGGg hHHHHHHHHHHHHHHHHHHHHhSS tTTt eEEEE hHHHHHHHHHHHHhTtB B StThHHHH summary
sequence TNRPVVEALTKRKITAYAELPRISRAQSDILSSQSNLAGYRAVIDGAYEFARAFPTAAGTVPPARVLVFGVGVAGLQAIATAKRLGAVVATDVRAATKEQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHTT S S TTS HHHHHHHHHHHHHHHTT SEEEE BTTB S TT EEEETTGGGT SSTT TT EEEETTE Kabs/Sand
chirality +++-+----+--+ +--+-+-+ +++++++++++++++++-+---+++---+----++-- ++----+++++---+-++--++---++-+- chirality
bends SSSSS S S SSS SSSSSSSSSSSSSSSS S SSS S S S SSSS SSSS SS SS bends
turns TTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTT TTTT TTTTTTTT TTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33X>3<< >33< >33< >3>X3<< >33<>33< >33< 3-turns
bridge-2 gggg hhh I bridge-2
bridge-1 ffff E E gggg IIII bridge-1
sheets CCCC CCCC CCCC C sheets
4-turns <<<< >>>>XXXXXXXXX5555< 5-turns
3-turns >>>X>3<< >33X33< >33< >>3<< 3-turns
bridge-2 III KK bridge-2
bridge-1 hhh JJ JJ E*E KK bridge-1
sheets CCC DD DD BBBB BB sheets
4-turns >444<>>4>XX>XXXXXXX<<<< >444< >>>><<<< 4-turns
summary EEEe SgGGGGhHHHHHHHHHHHHHHHHhTeEETTTTEEetTThHHHHHHEEEETTEEegGGGg summary
sequence KIVGHTNVPSRVAADASPLFAKNLLNFLTPHVDKDTKTLVKLEDETVSGTCVTRDGAIVHPALTGQGA sequence
310 320 330 340 350 360
Messages
chain break between 76(A 77 ) and 77(A 79 )
chain break between 94(A 96 ) and 95(A 98 )
chain break between 118(A 121 ) and 119(A 123 )
chain break between 120(A 124 ) and 121(A 126 )
chain break between 128(A 133 ) and 129(A 135 )
chain break between 155(A 161 ) and 156(A 165 )
chain break between 189(A 198 ) and 190(A 200 )
chain break between 215(A 225 ) and 216(A 228 )
chain break between 226(A 238 ) and 227(A 240 )
chain break between 266(A 279 ) and 267(A 281 )
chain break between 269(A 283 ) and 270(A 285 )
chain break between 340(A 355 ) and 341(A 357 )