Secondary structure calculation program - copyright by David Keith Smith, 1989
1a1s-.pdb
1A1S TRANSCARBAMYLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 313
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 VAL V 0 0 999.9 164.0 -177.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 25
2 2 VAL V - 0 0 -143.8 159.3 179.5 -96.0 999.9 158.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29
3 3 SER S + 0 0 -76.1 145.4 177.7 179.5 25.7 120.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
4 4 LEU L t > T + 0 0 -128.3 16.8 -178.8 153.8 28.0 82.7 307 -0.5 7 -2.5 0 0.0 0 0.0 9 44
5 5 ALA A T T 3 TS+ 0 0 -51.1 119.9 180.0 1.0 73.4 103.1 0 0.0 0 0.0 0 0.0 0 0.0 10 35
6 6 GLY G T T 3 TS+ 0 0 82.0 -5.8 -179.0 140.7 98.3 67.0 308 -1.9 0 0.0 0 0.0 0 0.0 10 39
7 7 ARG R t < T - 0 0 -69.2 163.9 177.4 -132.8 45.8 97.1 4 -2.5 0 0.0 0 0.0 0 0.0 8 48
8 8 ASP D - 0 0 -109.5 160.4 177.7 -147.6 5.1 144.5 0 0.0 0 0.0 0 0.0 0 0.0 9 59
9 9 LEU L B B a + 126 0 -133.4 81.8 179.3 130.8 48.2 142.1 125 -2.4 127 -3.0 0 0.0 0 0.0 10 67
10 10 LEU L S S S- 0 0 -95.8 -40.1 -178.7 -2.3 81.4 41.3 0 0.0 0 0.0 0 0.0 0 0.0 11 59
11 11 CYS C g > T - 0 0 -157.8 136.5 179.3 -133.2 59.7 165.2 0 0.0 14 -1.2 0 0.0 0 0.0 11 61
12 12 LEU L G G > TS+ 0 0 -69.1 -10.9 178.3 82.7 93.6 62.6 0 0.0 15 -1.2 0 0.0 0 0.0 11 59
13 13 GLN Q G G 3 TS+ 0 0 -69.6 -12.4 178.2 59.4 88.2 46.1 0 0.0 0 0.0 0 0.0 0 0.0 8 49
14 14 ASP D G G < TS+ 0 0 -84.2 -12.4 -176.8 84.6 95.5 55.5 11 -1.2 0 0.0 0 0.0 0 0.0 5 43
15 15 TYR Y S g < TS- 0 0 -97.3 145.5 176.8 -135.2 73.3 134.4 12 -1.2 0 0.0 0 0.0 0 0.0 9 50
16 16 THR T h > T - 0 0 -85.0 166.6 179.3 -107.8 32.4 119.3 0 0.0 20 -2.5 0 0.0 0 0.0 8 38
17 17 ALA A H H > TS+ 0 0 -63.6 -33.2 -179.3 55.2 122.2 27.7 0 0.0 21 -2.4 0 0.0 0 0.0 8 48
18 18 GLU E H H > TS+ 0 0 -67.8 -38.2 179.5 48.4 106.8 27.3 0 0.0 22 -2.2 0 0.0 0 0.0 9 35
19 19 GLU E H H > TS+ 0 0 -68.5 -42.2 179.9 47.2 112.8 18.4 0 0.0 23 -1.9 0 0.0 0 0.0 12 45
20 20 ILE I H H X TS+ 0 0 -68.2 -29.5 176.8 50.4 113.1 26.9 16 -2.5 24 -1.9 0 0.0 0 0.0 11 63
21 21 TRP W H H X TS+ 0 0 -72.2 -34.4 178.9 59.5 103.5 32.2 17 -2.4 25 -2.3 0 0.0 0 0.0 9 52
22 22 THR T H H X TS+ 0 0 -57.9 -45.9 -179.0 46.0 107.9 17.0 18 -2.2 26 -2.3 0 0.0 0 0.0 10 43
23 23 ILE I H H X TS+ 0 0 -67.8 -37.8 -179.8 50.4 111.5 19.9 19 -1.9 27 -2.2 0 0.0 0 0.0 12 58
24 24 LEU L H H X TS+ 0 0 -67.3 -35.7 -179.9 48.0 111.9 31.6 20 -1.9 28 -2.2 0 0.0 0 0.0 12 58
25 25 GLU E H H X TS+ 0 0 -70.2 -47.0 178.0 47.3 112.3 19.0 21 -2.3 29 -2.5 0 0.0 0 0.0 8 44
26 26 THR T H H X TS+ 0 0 -61.1 -34.0 179.2 52.0 112.8 29.7 22 -2.3 30 -2.5 0 0.0 0 0.0 9 48
27 27 ALA A H H X TS+ 0 0 -68.5 -42.5 179.5 50.4 106.9 25.1 23 -2.2 31 -2.0 0 0.0 0 0.0 13 58
28 28 LYS K H H X TS+ 0 0 -60.0 -43.5 178.6 50.6 111.7 21.5 24 -2.2 32 -2.3 0 0.0 0 0.0 9 45
29 29 MET M H H X TS+ 0 0 -58.1 -53.0 -179.9 47.4 110.2 18.6 25 -2.5 33 -2.6 0 0.0 0 0.0 8 38
30 30 PHE F H H X TS+ 0 0 -60.8 -31.7 -179.7 55.4 109.5 35.3 26 -2.5 34 -2.3 0 0.0 0 0.0 11 45
31 31 LYS K H H X TS+ 0 0 -68.3 -43.2 177.8 44.6 110.1 22.9 27 -2.0 35 -1.7 0 0.0 0 0.0 9 43
32 32 ILE I H H X TS+ 0 0 -64.2 -48.9 177.1 54.5 110.1 15.1 28 -2.3 36 -1.8 0 0.0 0 0.0 8 28
33 33 TRP W H H < >>TS+ 0 0 -44.9 -55.1 -178.3 48.4 111.3 21.7 29 -2.6 38 -2.6 0 0.0 36 -0.6 11 27
34 34 GLN Q H H < 35TS+ 0 0 -58.7 -36.5 -179.2 52.3 107.8 34.9 30 -2.3 0 0.0 0 0.0 0 0.0 9 32
35 35 LYS K H H < 35TS+ 0 0 -72.8 -27.9 -179.9 43.4 113.7 36.9 31 -1.7 0 0.0 0 0.0 0 0.0 7 19
36 36 ILE I T h < <5TS- 0 0 -94.1 -3.3 178.0 -112.2 116.5 67.4 32 -1.8 0 0.0 33 -0.6 0 0.0 6 12
37 37 GLY G T T 5T + 0 0 80.3 27.9 178.8 155.4 60.1 39.0 0 0.0 0 0.0 0 0.0 0 0.0 6 14
38 38 LYS K t T + 0 0 -74.7 63.5 -177.2 155.9 17.3 111.3 0 0.0 44 -0.8 0 0.0 0 0.0 9 33
42 42 LEU L T T 3 T + 0 0 -70.5 -12.2 -176.8 49.5 62.6 51.4 40 -2.7 0 0.0 0 0.0 0 0.0 8 39
43 43 LEU L T T > TS+ 0 0 -123.1 47.7 -180.0 173.4 70.8 105.0 70 -2.6 46 -2.1 0 0.0 0 0.0 12 39
44 44 GLU E T T < TS+ 0 0 -56.6 136.2 177.4 5.7 74.4 105.8 41 -0.8 0 0.0 0 0.0 0 0.0 8 30
45 45 GLY G T T 3 TS+ 0 0 71.4 0.1 178.9 132.3 96.3 60.3 71 -1.3 0 0.0 0 0.0 0 0.0 7 28
46 46 LYS K e < T - 0 0 -82.4 147.2 -178.6 -152.4 42.9 129.3 43 -2.1 73 -2.6 0 0.0 0 0.0 10 45
47 47 THR T E E Aa - 73 0 -127.6 143.7 -178.0 -162.8 10.6 165.7 0 0.0 102 -2.4 0 0.0 103 -0.8 11 46
48 48 LEU L E E Aab - 74 103 -126.6 119.0 179.6 -148.5 12.2 172.2 73 -2.2 75 -2.5 0 0.0 50 -0.6 14 64
49 49 ALA A E E Aab - 75 104 -92.5 120.1 179.1 -159.5 11.3 149.4 103 -2.2 105 -2.6 0 0.0 51 -0.6 13 59
50 50 MET M E E Aab - 76 105 -101.6 117.9 -179.4 -163.3 3.3 155.0 75 -2.7 77 -3.3 48 -0.6 52 -0.6 13 64
51 51 ILE I E E Aab - 77 106 -105.0 116.5 -179.6 -169.6 4.5 156.2 105 -2.8 107 -3.1 49 -0.6 53 -0.7 13 61
52 52 PHE F E E A b + 0 107 -112.1 109.7 179.2 171.6 18.4 156.3 77 -3.0 0 0.0 50 -0.6 0 0.0 14 46
53 53 GLN Q S e S+ 0 0 -89.2 -3.6 179.5 19.3 84.9 61.0 107 -3.1 0 0.0 51 -0.7 0 0.0 13 40
54 54 LYS K S S S- 0 0 -165.0 123.9 -179.6 -97.5 100.7 149.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35
55 55 PRO P + 0 0 -44.2 158.8 179.1 164.5 41.0 79.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
56 56 SER S h > T - 0 0 178.5 91.9 -179.7 -173.4 13.8 109.1 0 0.0 60 -2.5 0 0.0 0 0.0 7 37
57 57 THR T H H > TS+ 0 0 -61.4 -48.1 -179.3 56.8 84.5 23.0 0 0.0 61 -3.3 0 0.0 0 0.0 6 36
58 58 ARG R H H > TS+ 0 0 -54.6 -38.9 -179.7 39.9 115.4 24.9 0 0.0 62 -1.6 0 0.0 0 0.0 6 42
59 59 THR T H H > TS+ 0 0 -76.7 -41.6 -179.7 51.7 115.3 25.0 0 0.0 63 -2.2 0 0.0 0 0.0 9 58
60 60 ARG R H H X TS+ 0 0 -62.4 -46.1 -179.4 38.7 115.9 22.0 56 -2.5 64 -2.0 0 0.0 0 0.0 10 47
61 61 VAL V H H X TS+ 0 0 -77.9 -28.4 178.3 54.3 113.6 30.3 57 -3.3 65 -2.5 0 0.0 0 0.0 8 41
62 62 SER S H H X TS+ 0 0 -69.7 -39.5 178.2 40.5 114.8 20.4 58 -1.6 66 -2.2 0 0.0 0 0.0 11 55
63 63 PHE F H H X TS+ 0 0 -72.4 -38.4 -178.8 48.9 117.5 22.0 59 -2.2 67 -2.0 0 0.0 0 0.0 12 64
64 64 GLU E H H X TS+ 0 0 -69.6 -37.4 178.9 43.3 114.6 28.3 60 -2.0 68 -1.4 0 0.0 0 0.0 10 52
65 65 VAL V H H X TS+ 0 0 -73.9 -39.1 179.9 57.2 110.7 23.0 61 -2.5 69 -2.7 0 0.0 0 0.0 9 47
66 66 ALA A H H X TS+ 0 0 -57.0 -41.8 -178.7 44.9 109.4 25.4 62 -2.2 70 -1.0 0 0.0 0 0.0 12 61
67 67 MET M H H < >TS+ 0 0 -73.2 -32.5 -180.0 54.9 109.7 34.4 63 -2.0 72 -2.6 0 0.0 0 0.0 15 52
68 68 ALA A H H < >5TS+ 0 0 -66.5 -42.6 179.6 53.5 105.3 19.8 64 -1.4 71 -1.9 0 0.0 0 0.0 10 37
69 69 HIS H H H < 35TS+ 0 0 -59.9 -32.0 -178.9 48.8 109.6 35.5 65 -2.7 40 -0.5 0 0.0 0 0.0 10 44
70 70 LEU L T h < 35TS- 0 0 -89.9 3.6 178.3 -111.8 118.3 67.5 66 -1.0 43 -2.6 0 0.0 0 0.0 13 47
71 71 GLY G T T <5TS+ 0 0 80.2 13.3 -179.9 112.7 80.7 50.1 68 -1.9 45 -1.3 0 0.0 0 0.0 12 32
72 72 GLY G t > T - 0 0 -93.6 -179.8 178.9 -99.5 35.6 105.6 76 -0.6 82 -3.7 0 0.0 81 -1.0 12 33
79 79 ALA A T T 4 3 TS+ 0 0 -75.2 -17.2 178.2 59.7 121.8 51.5 0 0.0 0 0.0 0 0.0 0 0.0 9 28
80 80 GLN Q T T 4 3 TS+ 0 0 -87.7 -5.5 -179.3 27.4 120.1 60.1 0 0.0 0 0.0 0 0.0 0 0.0 5 18
81 81 ASP D T T 4 < TS+ 0 0 -120.1 -37.5 -177.4 38.3 128.7 50.7 78 -1.0 0 0.0 0 0.0 0 0.0 6 26
82 82 LEU L t < T + 0 0 -136.3 84.1 167.0 157.7 48.7 141.5 78 -3.7 0 0.0 0 0.0 0 0.0 10 37
83 83 GLN Q - 0 0 -72.5 158.0 -179.5 -140.4 40.3 124.9 0 0.0 0 0.0 0 0.0 0 0.0 10 34
84 84 LEU L S S S+ 0 0 -93.6 -67.9 -177.9 27.7 84.0 26.6 0 0.0 0 0.0 0 0.0 0 0.0 11 44
85 85 ARG R S S S+ 0 0 -82.1 29.2 -178.1 81.9 106.3 89.5 0 0.0 0 0.0 0 0.0 0 0.0 7 32
86 86 ARG R S S S+ 0 0 -100.4 -69.8 -179.3 16.2 98.5 25.0 0 0.0 0 0.0 0 0.0 0 0.0 6 20
87 87 GLY G S S S+ 0 0 -86.0 -2.4 -179.2 10.0 134.0 59.9 0 0.0 0 0.0 0 0.0 0 0.0 6 16
88 88 GLU E S S S- 0 0 -170.7 148.5 -179.7 -84.9 89.7 160.5 0 0.0 0 0.0 0 0.0 0 0.0 8 21
89 89 THR T h > > T - 0 0 -62.0 132.9 179.9 -121.6 39.5 112.4 0 0.0 92 -1.7 0 0.0 93 -1.6 9 25
90 90 ILE I H H > 3 TS+ 0 0 -45.0 -31.2 179.2 60.7 113.5 39.4 0 0.0 94 -1.9 0 0.0 0 0.0 11 36
91 91 ALA A H H > 3 TS+ 0 0 -65.9 -41.4 179.2 48.4 104.5 26.4 0 0.0 95 -1.9 0 0.0 0 0.0 11 31
92 92 ASP D H H > < TS+ 0 0 -67.8 -41.7 -179.5 48.4 109.9 26.6 89 -1.7 96 -2.3 0 0.0 0 0.0 9 28
93 93 THR T H H X TS+ 0 0 -67.2 -35.8 178.7 52.4 111.7 22.8 89 -1.6 97 -2.8 0 0.0 0 0.0 10 42
94 94 ALA A H H X TS+ 0 0 -62.4 -43.7 -179.1 50.4 109.1 22.9 90 -1.9 98 -2.4 0 0.0 0 0.0 12 45
95 95 ARG R H H < TS+ 0 0 -62.2 -48.2 -178.5 40.3 115.3 18.3 91 -1.9 0 0.0 0 0.0 0 0.0 11 30
96 96 VAL V H H X > TS+ 0 0 -68.7 -44.5 179.1 52.3 114.0 22.0 92 -2.3 99 -2.1 0 0.0 100 -0.6 8 31
97 97 LEU L H H X > TS+ 0 0 -58.9 -42.1 -179.2 59.3 103.4 19.5 93 -2.8 101 -2.4 0 0.0 100 -2.3 8 43
98 98 SER S H H < 3 TS+ 0 0 -69.4 1.6 176.5 59.3 98.7 58.9 94 -2.4 0 0.0 0 0.0 0 0.0 12 38
99 99 ARG R H H 4 < TS+ 0 0 -96.9 -15.4 -179.0 30.9 116.9 54.9 96 -2.1 0 0.0 0 0.0 0 0.0 6 24
100 100 TYR Y H H < < TS+ 0 0 -107.5 -45.6 -175.0 48.0 113.8 36.4 97 -2.3 0 0.0 96 -0.6 0 0.0 6 31
101 101 VAL V h < T - 0 0 -101.4 171.3 -179.6 -135.3 63.7 121.3 97 -2.4 0 0.0 0 0.0 0 0.0 12 43
102 102 ASP D S S S+ 0 0 -99.9 -16.6 178.4 1.3 84.3 48.0 47 -2.4 0 0.0 0 0.0 0 0.0 12 53
103 103 ALA A E E Ab - 48 0 -162.5 155.4 179.9 -137.8 64.5 164.6 47 -0.8 49 -2.2 0 0.0 0 0.0 13 66
104 104 ILE I E E Abc - 49 125 -123.4 141.1 177.5 -169.1 9.5 166.5 124 -2.8 126 -2.9 0 0.0 0 0.0 13 70
105 105 MET M E E Abc - 50 126 -127.8 122.3 -179.2 -166.6 14.9 176.0 49 -2.6 51 -2.8 0 0.0 0 0.0 12 79
106 106 ALA A E E Abc - 51 127 -117.3 138.6 177.6 -165.3 19.0 158.1 126 -2.6 128 -2.1 0 0.0 129 -0.8 14 74
107 107 ARG R E E Abc + 52 129 -116.8 101.2 -177.8 155.8 36.3 162.3 51 -3.1 53 -3.1 0 0.0 0 0.0 14 61
108 108 VAL V e - 0 0 -132.8 156.6 179.4 -134.3 48.3 158.2 129 -1.8 0 0.0 0 0.0 0 0.0 14 53
109 109 TYR Y S S S+ 0 0 -67.0 -68.3 -177.4 56.2 93.0 5.6 0 0.0 131 -2.3 0 0.0 111 -0.8 10 37
110 110 ASP D S h > > TS- 0 0 -75.7 109.9 179.5 -152.7 70.7 122.4 0 0.0 113 -3.0 0 0.0 114 -0.9 9 32
111 111 HIS H H H > 3 TS+ 0 0 -51.5 -24.0 -178.6 68.9 93.7 43.4 109 -0.8 115 -1.7 0 0.0 0 0.0 11 43
112 112 LYS K H H > 3 TS+ 0 0 -69.3 -23.8 178.6 57.1 94.3 38.7 0 0.0 116 -1.9 0 0.0 0 0.0 6 36
113 113 ASP D H H > < TS+ 0 0 -70.5 -49.0 178.7 46.5 105.8 19.2 110 -3.0 117 -3.1 0 0.0 0 0.0 11 46
114 114 VAL V H H X TS+ 0 0 -62.4 -30.6 178.2 52.3 113.8 29.6 110 -0.9 118 -1.9 0 0.0 0 0.0 15 55
115 115 GLU E H H X TS+ 0 0 -71.2 -37.1 179.7 45.3 110.6 30.1 111 -1.7 119 -1.3 0 0.0 0 0.0 9 46
116 116 ASP D H H X TS+ 0 0 -71.5 -38.8 179.8 56.5 109.7 27.2 112 -1.9 120 -1.3 0 0.0 0 0.0 10 42
117 117 LEU L H H X TS+ 0 0 -57.9 -44.1 -179.7 47.3 108.4 22.3 113 -3.1 121 -0.9 0 0.0 0 0.0 12 56
118 118 ALA A H H < TS+ 0 0 -67.8 -34.6 -178.1 60.3 104.7 35.6 114 -1.9 0 0.0 0 0.0 0 0.0 13 49
119 119 LYS K H H < TS+ 0 0 -66.3 -29.6 -178.8 30.1 116.6 37.5 115 -1.3 0 0.0 0 0.0 0 0.0 8 35
120 120 TYR Y H H < TS+ 0 0 -108.5 -0.3 -176.9 99.2 99.8 60.9 116 -1.3 0 0.0 0 0.0 0 0.0 10 35
121 121 ALA A h < T - 0 0 -56.5 -58.3 -177.3 -169.6 50.3 38.0 117 -0.9 0 0.0 0 0.0 0 0.0 12 43
122 122 THR T S S S+ 0 0 79.1 -20.0 -177.6 72.9 76.1 79.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39
123 123 VAL V S S S- 0 0 -126.5 145.2 -179.5 -84.7 103.8 156.2 0 0.0 0 0.0 0 0.0 0 0.0 11 52
124 124 PRO P e - 0 0 -52.3 140.1 178.3 -152.2 41.3 100.9 0 0.0 104 -2.8 0 0.0 0 0.0 15 54
125 125 VAL V E E Ac - 104 0 -120.6 129.6 -179.7 -164.3 7.5 169.1 0 0.0 9 -2.4 0 0.0 0 0.0 16 65
126 126 ILE I E E Aca - 105 9 -113.2 139.5 -179.6 -136.9 15.7 153.7 104 -2.9 106 -2.6 0 0.0 128 -0.8 11 74
127 127 ASN N E E Ac + 106 0 -100.3 105.2 -178.7 177.7 21.1 151.6 9 -3.0 136 -0.7 0 0.0 0 0.0 15 66
128 128 GLY G E E A* S- 0 0 -81.7 -13.8 177.8 -22.3 74.1 55.0 106 -2.1 0 0.0 126 -0.8 0 0.0 11 69
129 129 LEU L E E Ac + 107 0 165.0 124.0 177.6 165.4 65.1 118.7 106 -0.8 108 -1.8 0 0.0 0 0.0 11 59
130 130 SER S - 0 0 -133.3 -179.4 179.4 -99.3 52.5 140.7 133 -2.1 0 0.0 0 0.0 0 0.0 14 47
131 131 ASP D S S S+ 0 0 -80.8 -15.0 -179.4 48.0 120.8 42.0 109 -2.3 0 0.0 0 0.0 0 0.0 10 43
132 132 PHE F S S S- 0 0 -91.3 -35.8 -176.3 -4.2 121.4 28.9 0 0.0 0 0.0 0 0.0 0 0.0 9 47
133 133 SER S - 0 0 -158.1 165.1 178.7 -154.9 36.7 163.6 0 0.0 130 -2.1 0 0.0 0 0.0 14 58
134 134 HIS H h > > T + 0 0 -142.9 76.7 -178.9 170.1 22.4 124.7 165 -0.6 138 -1.4 0 0.0 137 -0.9 15 63
135 135 PRO P H H > 3 TS+ 0 0 -59.0 -43.0 -177.6 60.6 74.1 32.8 0 0.0 139 -2.0 0 0.0 0 0.0 15 72
136 136 CYS C H H > 3 TS+ 0 0 -59.8 -27.5 -179.0 51.0 105.0 29.4 127 -0.7 140 -1.7 0 0.0 0 0.0 11 77
137 137 GLN Q H H > < TS+ 0 0 -76.6 -41.5 179.1 52.2 106.2 25.5 134 -0.9 141 -3.3 0 0.0 0 0.0 11 73
138 138 ALA A H H X TS+ 0 0 -59.5 -43.5 179.1 52.5 108.1 26.0 134 -1.4 142 -3.4 0 0.0 0 0.0 12 78
139 139 LEU L H H X TS+ 0 0 -57.7 -48.0 178.9 44.2 113.2 17.6 135 -2.0 143 -1.9 0 0.0 0 0.0 13 76
140 140 ALA A H H X TS+ 0 0 -62.5 -48.6 179.7 50.3 114.7 14.9 136 -1.7 144 -2.8 0 0.0 0 0.0 14 69
141 141 ASP D H H X TS+ 0 0 -55.0 -56.4 -179.7 41.1 114.4 18.5 137 -3.3 145 -2.6 0 0.0 0 0.0 10 74
142 142 TYR Y H H X TS+ 0 0 -66.8 -23.9 176.7 58.0 111.6 38.7 138 -3.4 146 -2.3 0 0.0 0 0.0 11 76
143 143 MET M H H X TS+ 0 0 -66.3 -47.0 -179.7 46.8 108.4 17.5 139 -1.9 147 -2.6 0 0.0 0 0.0 11 65
144 144 THR T H H X TS+ 0 0 -58.7 -49.9 179.0 48.5 111.7 19.5 140 -2.8 148 -2.6 0 0.0 0 0.0 11 60
145 145 ILE I H H X TS+ 0 0 -56.2 -44.3 180.0 52.0 111.8 20.5 141 -2.6 149 -2.8 0 0.0 0 0.0 11 60
146 146 TRP W H H X TS+ 0 0 -59.6 -44.3 178.3 45.8 111.9 26.4 142 -2.3 150 -1.1 0 0.0 0 0.0 10 51
147 147 GLU E H H < TS+ 0 0 -61.3 -60.3 -177.2 33.1 122.7 13.8 143 -2.6 0 0.0 0 0.0 0 0.0 8 43
148 148 LYS K H H < TS+ 0 0 -62.5 -57.6 -178.6 36.0 127.4 17.7 144 -2.6 0 0.0 0 0.0 0 0.0 6 38
149 149 LYS K H H < TS- 0 0 -76.2 -16.7 -179.1 -128.6 98.5 56.2 145 -2.8 0 0.0 0 0.0 0 0.0 7 38
150 150 GLY G S h < TS+ 0 0 85.2 -12.5 179.4 31.3 81.2 71.2 146 -1.1 0 0.0 0 0.0 0 0.0 7 28
151 151 THR T - 0 0 -166.4 165.1 179.3 -146.8 57.0 167.3 0 0.0 0 0.0 0 0.0 0 0.0 9 38
152 152 ILE I S t > TS+ 0 0 -110.2 -26.0 -176.9 88.8 76.4 45.1 0 0.0 155 -1.4 0 0.0 0 0.0 13 48
153 153 LYS K T T 3 TS+ 0 0 -40.8 -94.8 -178.0 17.5 95.8 29.2 0 0.0 155 -0.9 0 0.0 0 0.0 9 46
154 154 GLY G T T 3 TS+ 0 0 -79.9 39.2 179.8 127.7 92.5 92.8 0 0.0 0 0.0 0 0.0 0 0.0 9 37
155 155 VAL V e < T - 0 0 -100.6 131.4 -179.3 -141.5 53.8 145.1 152 -1.4 180 -2.0 153 -0.9 157 -0.9 11 54
156 156 LYS K E E Bd + 180 0 -88.6 105.2 179.1 179.5 24.3 146.1 0 0.0 224 -2.2 0 0.0 225 -1.3 12 60
157 157 VAL V E E Bde - 181 225 -108.0 128.9 -179.6 -166.0 7.2 161.9 180 -1.3 182 -1.9 155 -0.9 0 0.0 13 72
158 158 VAL V E E Bde - 182 226 -123.0 130.5 179.3 -155.9 9.3 165.4 225 -2.1 227 -2.7 0 0.0 0 0.0 14 73
159 159 TYR Y E E Bde - 183 227 -101.2 128.8 -179.2 -167.2 11.5 152.0 182 -2.4 184 -2.6 0 0.0 0 0.0 12 80
160 160 VAL V E E Bd + 184 0 -122.3 123.1 179.8 34.8 46.4 161.5 227 -2.5 0 0.0 0 0.0 0 0.0 14 73
161 161 GLY G S e S- 0 0 131.1 176.4 179.9 -3.2 98.0 135.2 184 -2.4 0 0.0 0 0.0 0 0.0 15 66
162 162 ASP D - 0 0 -36.3 131.7 179.6 -119.9 68.4 87.7 0 0.0 164 -1.3 0 0.0 0 0.0 14 58
163 163 GLY G + 0 0 -84.5 98.9 -176.7 143.5 57.9 133.0 189 -1.3 0 0.0 0 0.0 0 0.0 13 58
164 164 ASN N h > T - 0 0 -118.4 -161.2 -179.7 -61.5 63.8 105.7 162 -1.3 168 -2.9 0 0.0 0 0.0 11 55
165 165 ASN N H H > TS+ 0 0 -57.2 -49.0 179.1 44.3 132.1 23.8 0 0.0 169 -2.6 0 0.0 134 -0.6 11 60
166 166 VAL V H H > TS+ 0 0 -68.1 -29.7 178.1 54.8 112.1 29.8 0 0.0 170 -2.1 0 0.0 0 0.0 12 69
167 167 ALA A H H > TS+ 0 0 -63.3 -45.2 -179.7 51.2 107.2 16.6 0 0.0 171 -2.0 0 0.0 0 0.0 12 68
168 168 HIS H H H X TS+ 0 0 -54.8 -51.1 -178.7 45.2 113.1 17.2 164 -2.9 172 -2.6 0 0.0 0 0.0 15 64
169 169 SER S H H X TS+ 0 0 -68.2 -25.9 176.6 55.1 107.0 41.2 165 -2.6 173 -1.9 0 0.0 0 0.0 15 70
170 170 LEU L H H X TS+ 0 0 -70.0 -38.6 -179.1 46.5 112.8 28.6 166 -2.1 174 -2.0 0 0.0 0 0.0 9 78
171 171 MET M H H X TS+ 0 0 -66.6 -54.5 -179.4 47.8 112.5 19.0 167 -2.0 175 -1.9 0 0.0 0 0.0 13 78
172 172 ILE I H H X TS+ 0 0 -56.6 -45.3 -178.9 36.9 119.8 26.6 168 -2.6 176 -0.9 0 0.0 0 0.0 14 70
173 173 ALA A H H X TS+ 0 0 -76.4 -52.0 -177.3 47.1 117.3 15.2 169 -1.9 177 -2.4 0 0.0 0 0.0 13 75
174 174 GLY G H H X >TS+ 0 0 -56.5 -41.2 -179.1 48.3 114.2 26.3 170 -2.0 179 -2.8 0 0.0 178 -0.6 14 74
175 175 THR T H H < 5TS+ 0 0 -70.5 -29.8 178.2 48.9 113.0 36.2 171 -1.9 0 0.0 0 0.0 0 0.0 18 60
176 176 LYS K H H < 5TS+ 0 0 -77.2 -30.8 -179.4 50.2 111.8 39.1 172 -0.9 0 0.0 0 0.0 0 0.0 15 56
177 177 LEU L H H < 5TS- 0 0 -85.3 -5.5 178.9 -103.7 122.3 62.1 173 -2.4 0 0.0 0 0.0 0 0.0 11 59
178 178 GLY G T h < 5T + 0 0 98.3 4.2 -180.0 144.7 69.4 60.0 174 -0.6 0 0.0 0 0.0 0 0.0 15 49
179 179 ALA A t T - 0 0 -57.6 144.8 -177.7 -94.6 61.6 108.6 0 0.0 189 -2.9 0 0.0 0 0.0 13 43
187 187 GLU E T T 3 TS+ 0 0 -31.4 -49.7 179.6 35.3 121.1 48.0 0 0.0 0 0.0 0 0.0 0 0.0 6 32
188 188 GLY G T T 3 TS+ 0 0 -93.3 6.7 -176.9 71.2 108.9 63.5 0 0.0 0 0.0 0 0.0 0 0.0 5 28
189 189 TYR Y t < T + 0 0 -121.6 61.1 179.0 130.0 62.8 117.0 186 -2.9 163 -1.3 0 0.0 0 0.0 8 43
190 190 GLU E - 0 0 -110.1 156.9 -179.6 -78.7 63.3 137.8 0 0.0 0 0.0 0 0.0 0 0.0 12 48
191 191 PRO P - 0 0 -53.1 153.0 179.0 -77.9 62.1 96.3 0 0.0 0 0.0 0 0.0 0 0.0 11 47
192 192 ASP D h > T - 0 0 -49.6 138.7 -178.3 -126.2 39.9 99.1 0 0.0 196 -1.7 0 0.0 0 0.0 8 38
193 193 GLU E H H > TS+ 0 0 -61.8 -34.8 179.5 61.2 106.1 33.8 0 0.0 197 -2.7 0 0.0 0 0.0 6 32
194 194 LYS K H H > TS+ 0 0 -59.6 -46.5 -179.8 41.8 108.3 20.9 0 0.0 198 -2.6 0 0.0 0 0.0 6 28
195 195 VAL V H H > TS+ 0 0 -72.9 -26.9 177.9 56.3 111.9 34.1 0 0.0 199 -3.4 0 0.0 0 0.0 11 45
196 196 ILE I H H X TS+ 0 0 -68.1 -40.3 177.8 46.7 108.8 25.2 192 -1.7 200 -1.4 0 0.0 0 0.0 10 46
197 197 LYS K H H X > TS+ 0 0 -63.3 -48.0 177.6 50.7 112.9 16.0 193 -2.7 201 -2.2 0 0.0 200 -0.5 8 33
198 198 TRP W H H X 3 TS+ 0 0 -50.6 -57.2 -179.8 55.0 106.0 18.5 194 -2.6 202 -3.1 0 0.0 0 0.0 10 44
199 199 ALA A H H X 3 TS+ 0 0 -48.7 -35.8 -179.1 49.2 108.8 35.8 195 -3.4 203 -1.9 0 0.0 0 0.0 14 54
200 200 GLU E H H X < TS+ 0 0 -77.2 -42.0 177.5 44.1 112.2 21.5 196 -1.4 204 -1.4 197 -0.5 0 0.0 11 38
201 201 GLN Q H H X > TS+ 0 0 -65.4 -44.7 -179.8 50.3 115.8 17.6 197 -2.2 205 -1.1 0 0.0 204 -0.5 8 34
202 202 ASN N H H X 3 TS+ 0 0 -56.1 -44.5 -177.7 56.6 106.5 25.8 198 -3.1 206 -1.3 0 0.0 0 0.0 11 43
203 203 ALA A H H < 3>TS+ 0 0 -59.3 -38.5 178.7 61.3 96.8 36.2 199 -1.9 208 -1.9 0 0.0 0 0.0 14 41
204 204 ALA A H H < X5TS+ 0 0 -53.8 -45.9 -179.2 45.8 108.0 26.3 200 -1.4 207 -0.9 201 -0.5 0 0.0 9 30
205 205 GLU E H H < 35TS+ 0 0 -71.8 -29.9 -179.0 41.7 116.1 40.9 201 -1.1 0 0.0 0 0.0 0 0.0 9 31
206 206 SER S T h < 35TS- 0 0 -107.8 26.9 179.5 -123.3 102.2 88.9 202 -1.3 0 0.0 0 0.0 0 0.0 11 36
207 207 GLY G T T <5TS+ 0 0 38.8 42.9 -178.1 116.8 78.4 35.7 204 -0.9 0 0.0 0 0.0 0 0.0 8 30
208 208 GLY G t > T - 0 0 -132.8 103.8 -179.8 -162.3 59.8 155.6 0 0.0 219 -2.4 0 0.0 218 -0.8 9 39
216 216 PRO P H H > 3 TS+ 0 0 -50.2 -54.0 -178.0 54.7 87.7 23.7 0 0.0 220 -3.2 0 0.0 0 0.0 13 51
217 217 VAL V H H 4 3 TS+ 0 0 -56.8 -28.6 179.0 44.8 112.3 39.8 0 0.0 0 0.0 0 0.0 0 0.0 8 41
218 218 LYS K H H 4 X TS+ 0 0 -76.7 -48.8 -179.0 50.8 113.6 20.5 215 -0.8 221 -1.8 0 0.0 0 0.0 6 37
219 219 ALA A H H < 3 TS+ 0 0 -53.0 -51.7 -178.5 53.6 106.6 22.8 215 -2.4 0 0.0 0 0.0 0 0.0 12 47
220 220 VAL V T h < > TS+ 0 0 -71.5 11.5 -178.0 134.3 77.5 69.8 216 -3.2 223 -1.4 0 0.0 0 0.0 13 50
221 221 LYS K T T < TS- 0 0 -70.5 124.1 179.2 -14.2 85.0 117.0 218 -1.8 0 0.0 0 0.0 0 0.0 9 42
222 222 ASP D T T 3 TS+ 0 0 58.5 31.7 -178.6 171.8 95.4 36.8 259 -2.2 0 0.0 0 0.0 0 0.0 8 32
223 223 ALA A t < T - 0 0 -77.2 146.7 179.0 -157.8 34.4 114.9 220 -1.4 261 -2.4 0 0.0 0 0.0 14 49
224 224 ASP D S e S+ 0 0 -87.1 -40.3 178.7 14.8 84.3 34.3 156 -2.2 265 -2.1 0 0.0 0 0.0 12 51
225 225 VAL V E E Beg - 157 265 -136.6 136.9 178.1 -157.4 66.0 171.9 156 -1.3 158 -2.1 0 0.0 0 0.0 12 69
226 226 ILE I E E Beg - 158 266 -116.8 128.0 -176.4 -169.7 18.9 172.8 265 -2.8 267 -2.6 0 0.0 0 0.0 16 74
227 227 TYR Y E E Beg + 159 267 -122.0 144.7 176.0 165.5 11.1 154.6 158 -2.7 160 -2.5 0 0.0 0 0.0 11 80
228 228 THR T E E B g - 0 268 -148.5 171.6 -179.6 -167.5 11.1 157.0 267 -1.6 269 -0.7 0 0.0 0 0.0 13 76
229 229 ASP D - 0 0 -152.6 171.6 179.1 -65.5 42.1 155.2 0 0.0 0 0.0 0 0.0 0 0.0 13 64
230 230 VAL V - 0 0 -57.1 158.3 -179.2 -111.1 62.4 99.8 0 0.0 0 0.0 0 0.0 0 0.0 11 49
231 231 TRP W - 0 0 -117.2 161.8 -175.8 -65.1 31.2 138.9 0 0.0 0 0.0 0 0.0 0 0.0 10 54
232 232 ALA A S S S+ 0 0 -23.9 163.4 -178.4 31.2 98.0 49.6 0 0.0 0 0.0 0 0.0 0 0.0 6 44
233 233 SER S S t > TS- 0 0 50.2 35.3 -179.5 -154.9 79.9 37.6 0 0.0 236 -2.3 0 0.0 0 0.0 8 31
234 234 MET M T T 3 TS+ 0 0 -42.9 113.8 -177.4 29.1 82.2 95.7 0 0.0 0 0.0 0 0.0 0 0.0 6 30
235 235 GLY G T T 3 TS+ 0 0 107.5 1.9 -179.7 124.9 88.1 71.2 0 0.0 0 0.0 0 0.0 0 0.0 4 16
236 236 GLN Q t < T + 0 0 -53.6 -55.5 -179.1 170.2 38.2 27.7 233 -2.3 0 0.0 0 0.0 0 0.0 8 18
237 237 GLU E - 0 0 62.2 -170.7 179.9 -44.1 64.6 91.1 0 0.0 0 0.0 0 0.0 0 0.0 7 17
238 238 ALA A S t > TS+ 0 0 -56.9 -31.9 178.9 76.5 132.1 30.8 0 0.0 240 -2.4 0 0.0 241 -1.2 6 15
239 239 GLU E T T 3 TS- 0 0 -82.2 68.1 -179.7 -4.4 126.7 119.5 0 0.0 0 0.0 0 0.0 0 0.0 5 13
240 240 ALA A T T 3 TS+ 0 0 107.1 51.1 176.9 147.5 81.3 42.8 238 -2.4 0 0.0 0 0.0 0 0.0 8 16
241 241 GLU E t X T + 0 0 -89.9 16.3 -179.7 127.6 31.1 84.0 238 -1.2 244 -3.3 0 0.0 0 0.0 9 22
242 242 GLU E T h > 3 T + 0 0 -45.4 -30.9 178.5 79.4 51.7 39.4 0 0.0 246 -1.4 0 0.0 0 0.0 7 26
243 243 ARG R H H > 3>TS+ 0 0 -50.3 -25.9 -180.0 69.1 83.1 37.7 0 0.0 247 -2.7 0 0.0 248 -0.6 11 36
244 244 ARG R H H > <5TS+ 0 0 -60.1 -65.0 -178.7 38.8 100.1 11.0 241 -3.3 248 -3.1 0 0.0 0 0.0 7 34
245 245 LYS K H H 4 5TS+ 0 0 -53.9 -48.5 -179.6 38.3 125.6 23.8 0 0.0 0 0.0 0 0.0 0 0.0 7 28
246 246 ILE I H H < 5TS+ 0 0 -69.8 -50.8 -179.3 33.4 126.3 17.3 242 -1.4 0 0.0 0 0.0 0 0.0 8 33
247 247 PHE F H H X >5TS+ 0 0 -76.2 -32.9 -178.2 86.1 96.1 35.3 243 -2.7 250 -3.1 0 0.0 251 -0.5 12 47
248 248 ARG R G h < > T - 0 0 -143.8 179.0 -178.4 -75.1 64.4 150.6 251 -0.6 257 -2.5 0 0.0 0 0.0 10 46
254 254 LYS K H H > TS+ 0 0 -46.1 -42.6 -179.3 45.7 126.9 34.3 0 0.0 258 -1.0 0 0.0 0 0.0 8 40
255 255 ASP D H H 4 > TS+ 0 0 -71.3 -51.7 180.0 45.6 113.5 14.8 0 0.0 258 -0.5 0 0.0 0 0.0 6 35
256 256 LEU L H H 4 > TS+ 0 0 -53.5 -56.0 -179.4 53.1 111.9 14.8 0 0.0 259 -2.6 0 0.0 0 0.0 12 49
257 257 VAL V H H < > TS+ 0 0 -48.7 -33.8 -178.1 77.6 91.2 38.9 253 -2.5 260 -2.3 0 0.0 0 0.0 10 52
258 258 LYS K T h < < TS+ 0 0 -55.5 -18.1 -179.8 59.4 87.1 47.2 254 -1.0 0 0.0 255 -0.5 0 0.0 8 36
259 259 HIS H T T < TS+ 0 0 -85.5 -17.5 -178.9 82.8 93.2 47.9 256 -2.6 222 -2.2 0 0.0 0 0.0 11 36
260 260 ALA A S t < TS- 0 0 -78.4 175.9 178.8 -71.3 97.5 97.5 257 -2.3 0 0.0 0 0.0 0 0.0 14 41
261 261 LYS K t > T - 0 0 -65.4 156.6 180.0 -115.3 43.1 106.7 223 -2.4 264 -1.3 0 0.0 0 0.0 10 32
262 262 PRO P T T 3 TS+ 0 0 -60.3 -36.4 -178.5 45.3 118.6 28.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26
263 263 ASP D T T 3 TS+ 0 0 -100.0 44.1 -179.6 144.4 85.8 107.1 0 0.0 0 0.0 0 0.0 0 0.0 6 31
264 264 TYR Y t < T - 0 0 -81.0 160.6 179.8 -131.6 44.2 118.3 261 -1.3 0 0.0 0 0.0 0 0.0 11 50
265 265 MET M E E Bg - 225 0 -113.4 133.8 177.3 -144.9 10.1 158.8 224 -2.1 226 -2.8 0 0.0 267 -0.6 10 58
266 266 PHE F E E Bgd - 226 288 -100.8 127.2 -179.6 -178.4 23.0 150.8 287 -2.5 289 -2.1 0 0.0 0 0.0 13 62
267 267 MET M E E Bg + 227 0 -124.5 151.5 179.0 166.1 13.7 152.3 226 -2.6 228 -1.6 265 -0.6 0 0.0 12 71
268 268 HIS H E E Bg - 228 0 -159.1 139.0 -177.8 -137.3 33.8 157.6 0 0.0 0 0.0 0 0.0 0 0.0 10 69
269 269 CYS C e - 0 0 -83.5 3.2 -177.5 -106.4 62.7 67.8 228 -0.7 0 0.0 0 0.0 0 0.0 11 64
270 270 LEU L S S S+ 0 0 58.7 154.8 -0.9 102.0 91.0 63.1 0 0.0 0 0.0 0 0.0 0 0.0 8 53
271 271 PRO P - 0 0 -71.6 151.9 180.0 -156.7 62.4 59.6 0 0.0 0 0.0 0 0.0 0 0.0 7 37
272 272 ALA A - 0 0 -100.2 149.3 177.3 -153.4 15.9 141.3 0 0.0 274 -0.5 0 0.0 0 0.0 10 39
273 273 HIS H t >>T - 0 0 -117.7 76.4 -179.3 -149.6 23.1 147.1 0 0.0 276 -2.7 0 0.0 278 -0.8 8 37
274 274 ARG R B B e 35TS+ 278 0 -51.0 119.9 -178.9 33.4 84.4 114.4 272 -0.5 0 0.0 0 0.0 0 0.0 8 32
275 275 GLY G T T 35TS+ 0 0 120.3 -34.0 179.6 56.1 116.2 95.8 278 -3.3 0 0.0 0 0.0 0 0.0 7 31
276 276 GLU E T T <5TS+ 0 0 -92.0 -98.3 -178.8 4.3 120.7 39.1 273 -2.7 0 0.0 0 0.0 0 0.0 9 43
277 277 GLU E T T 5TS+ 0 0 -63.8 -23.4 -179.3 18.3 138.1 45.5 0 0.0 252 -3.2 0 0.0 0 0.0 16 55
278 278 VAL V B B ce > T - 0 0 -110.5 160.9 179.4 -106.4 31.1 140.4 252 -1.0 283 -1.5 0 0.0 282 -1.5 12 42
280 280 ASP D H H > 3 TS+ 0 0 -48.3 -46.1 -179.6 61.7 116.8 27.5 0 0.0 284 -1.8 0 0.0 0 0.0 9 31
281 281 ASP D H H 4 3 TS+ 0 0 -52.6 -35.7 -179.3 39.4 110.2 39.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30
282 282 VAL V H H 4 X TS+ 0 0 -82.9 -61.1 -179.5 45.5 114.3 15.1 279 -1.5 285 -2.0 0 0.0 0 0.0 13 44
283 283 ILE I H H < 3 TS+ 0 0 -53.7 -27.8 -179.3 39.7 124.3 42.9 279 -1.5 0 0.0 0 0.0 0 0.0 12 43
284 284 ASP D T h < 3 TS+ 0 0 -103.0 0.3 178.6 108.4 90.5 64.2 280 -1.8 0 0.0 0 0.0 0 0.0 8 32
285 285 SER S S t X TS- 0 0 -71.3 152.5 179.6 -109.8 86.7 115.4 282 -2.0 288 -3.1 0 0.0 0 0.0 8 33
286 286 PRO P T T 3 TS+ 0 0 -64.2 3.6 179.3 68.3 119.1 63.0 0 0.0 0 0.0 0 0.0 0 0.0 5 28
287 287 ASN N T T 3 TS+ 0 0 -93.7 -14.2 179.1 103.9 78.8 56.9 0 0.0 266 -2.5 0 0.0 0 0.0 11 41
288 288 SER S B B d < T + 266 0 -69.3 144.4 -176.3 173.9 41.1 117.6 285 -3.1 0 0.0 0 0.0 0 0.0 11 47
289 289 VAL V h > T + 0 0 -137.9 16.4 -177.3 125.3 35.8 83.1 266 -2.1 293 -2.3 0 0.0 0 0.0 11 45
290 290 VAL V H H > TS+ 0 0 -55.5 -28.3 -178.2 48.0 73.4 42.6 0 0.0 294 -1.3 0 0.0 0 0.0 12 50
291 291 TRP W H H > TS+ 0 0 -86.6 -36.1 176.2 46.7 110.1 26.6 0 0.0 295 -3.2 0 0.0 0 0.0 6 37
292 292 ASP D H H > TS+ 0 0 -66.6 -39.1 179.5 51.8 115.1 23.8 0 0.0 296 -2.6 0 0.0 0 0.0 8 44
293 293 GLN Q H H < TS+ 0 0 -63.3 -39.9 179.8 47.7 110.0 25.7 289 -2.3 0 0.0 0 0.0 0 0.0 13 54
294 294 ALA A H H < > TS+ 0 0 -67.6 -44.2 179.9 52.9 110.1 19.6 290 -1.3 297 -1.7 0 0.0 0 0.0 11 53
295 295 GLU E H H X > TS+ 0 0 -57.4 -42.6 -178.9 64.6 97.7 25.9 291 -3.2 298 -2.2 0 0.0 299 -0.9 8 50
296 296 ASN N H H X 3 TS+ 0 0 -62.5 -3.1 176.5 75.3 84.6 59.4 292 -2.6 300 -2.1 0 0.0 0 0.0 12 53
297 297 ARG R H H > < TS+ 0 0 -72.7 -34.7 179.1 48.3 97.4 26.9 294 -1.7 301 -1.8 0 0.0 0 0.0 14 61
298 298 LEU L H H > < TS+ 0 0 -67.2 -55.1 -178.9 41.5 115.4 9.7 295 -2.2 302 -2.0 0 0.0 0 0.0 12 56
299 299 HIS H H H X TS+ 0 0 -60.7 -48.7 178.6 49.2 115.3 22.9 295 -0.9 303 -2.0 0 0.0 0 0.0 14 61
300 300 ALA A H H X TS+ 0 0 -58.6 -44.7 -179.4 43.0 115.6 24.5 296 -2.1 304 -1.8 0 0.0 0 0.0 15 64
301 301 GLN Q H H X TS+ 0 0 -73.8 -25.7 178.8 60.2 107.8 37.5 297 -1.8 305 -2.0 0 0.0 0 0.0 13 76
302 302 LYS K H H X TS+ 0 0 -66.9 -37.5 178.8 47.6 107.5 19.6 298 -2.0 306 -2.0 0 0.0 0 0.0 14 69
303 303 ALA A H H X TS+ 0 0 -70.6 -40.1 -178.9 51.1 108.8 28.2 299 -2.0 307 -2.7 0 0.0 0 0.0 13 66
304 304 VAL V H H X TS+ 0 0 -68.3 -35.3 178.8 47.6 111.8 25.0 300 -1.8 308 -3.0 0 0.0 0 0.0 9 75
305 305 LEU L H H X >TS+ 0 0 -67.1 -46.9 -178.4 45.3 114.8 17.1 301 -2.0 309 -2.0 0 0.0 310 -0.8 10 73
306 306 ALA A H H X 5TS+ 0 0 -62.3 -42.6 -179.1 46.2 117.4 17.2 302 -2.0 310 -2.1 0 0.0 0 0.0 12 68
307 307 LEU L H H X 5TS+ 0 0 -67.4 -47.5 -178.5 36.7 119.5 23.4 303 -2.7 311 -0.9 0 0.0 4 -0.5 12 55
308 308 VAL V H H < 5TS+ 0 0 -84.6 -13.5 177.6 27.2 132.3 55.3 304 -3.0 6 -1.9 0 0.0 0 0.0 15 54
309 309 MET M H H < 5TS+ 0 0 -111.6 -34.8 -178.4 57.8 116.3 52.2 305 -2.0 0 0.0 0 0.0 0 0.0 13 50
310 310 GLY G H H < 5555< >5555< 5-turns
3-turns >33< >>3<< >33< >3><3< >33< >33< >33< >>3<< 3-turns
bridge-2 bbbbb bridge-2
bridge-1 a aaaaa aaaaa bridge-1
sheets AAAAAA AAAAA sheets
4-turns >>>>XXXXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >444< >>>>XX5555< 5-turns
3-turns >33< >33< >33< >33< >33< 3-turns
bridge-2 cccc a eee b ff bridge-2
bridge-1 bbbbb ccc*c ddddd ddddd bridge-1
sheets AAAAA AAAAA BBBBB BBBBB sheets
4-turns < >>>>XXXX<<<< >>>>XXXXXXXXX<<<< >>>>XXXXXXX<<<< >>>>XXXXX 4-turns
summary hSEEEEEeShHHHHHHHHHHhSSeEEEEE SS hHHHHHHHHHHHHHHHh tTTeEEEEEe hHHHHHHHHHHHHHhtEEEEEetTTt hHHHHHHHH summary
sequence VDAIMARVYDHKDVEDLAKYATVPVINGLSDFSHPCQALADYMTIWEKKGTIKGVKVVYVGDGNNVAHSLMIAGTKLGADVVVATPEGYEPDEKVIKWAE sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHTT B EES HHHHTTT SEEEE SSTT STT THHHHHGGG B HHHHTTS TT EEEE S BTTTB HHHHTSTTB HHHHHHHHHHH Kabs/Sand
chirality +++++-+----+-+-+++++-+-+--+----+-+++-+-+++++++++++-+-++++++--++---+--+---++++--+++++-+++++++++++++++ chirality
bends SSSSSSS S SSSSSSS S SSSS SSS SSSSSSSS SSSSSSS SS S SSSSS SSSSSSSS SSSSSSSSSSS bends
turns TTTTTTTT TTTTTTTTT TTTT TTTTTTTTTTTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33X33< >33X3><3< >33< >33X33< >>3<< >>><<<>33< >33< >33X33X33< >>3<< 3-turns
bridge-2 gggg d e bridge-2
bridge-1 b ff eee c gggg e c d bridge-1
sheets BB BBBB BBBB sheets
4-turns XX<<<< >>44<< >>>4>44<< >>44<< >>>><>XX 4-turns
summary HHHHHhTtB eEEShHHHHhTTteEEEE StTTt tTTthHHHHHhGGgBhHHHHhTttTTtEEEEeS tBTTTBhHHHHhtTTBhHHHHHHHHHHH summary
sequence QNAAESGGSFELLHDPVKAVKDADVIYTDVWASMGQEAEAEERRKIFRPFQVNKDLVKHAKPDYMFMHCLPAHRGEEVTDDVIDSPNSVVWDQAENRLHA sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHS Kabs/Sand
chirality +++++++++++ chirality
bends SSSSSSSSSSS bends
turns TTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXX<<<< 4-turns
summary HHHHHHHHHHh summary
sequence QKAVLALVMGGIK sequence
310