Secondary structure calculation program - copyright by David Keith Smith, 1989
1j6zA.pdb
1J6Z CONTRACTILE PROTEIN 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 4 GLU E 0 0 999.9 112.5 178.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 7 35
2 A 5 THR T + 0 0 -136.0 -74.5 -176.8 24.0 999.9 64.5 0 0.0 4 -0.6 0 0.0 0 0.0 5 32
3 A 6 THR T - 0 0 -110.2 119.2 -179.4 -144.7 69.1 154.6 0 0.0 0 0.0 0 0.0 0 0.0 8 40
4 A 7 ALA A e - 0 0 -79.2 151.3 176.4 -138.6 8.1 114.7 2 -0.6 19 -3.1 0 0.0 0 0.0 13 57
5 A 8 LEU L E E AaB - 99 18 -105.6 145.7 176.5 -154.9 7.7 144.8 98 -2.8 100 -2.8 0 0.0 0 0.0 13 66
6 A 9 VAL V E E AaB - 100 17 -122.3 123.4 178.2 -176.2 10.4 173.4 17 -2.7 17 -1.9 0 0.0 8 -0.5 15 67
7 A 10 CYS C E E AaB - 101 16 -123.5 108.5 -179.7 -166.5 7.3 161.6 100 -2.9 102 -1.4 0 0.0 9 -0.9 13 81
8 A 11 ASP D E E A B - 0 15 -97.5 105.4 -175.2 -151.5 13.2 148.8 15 -3.3 15 -2.1 6 -0.5 10 -1.5 13 77
9 A 12 ASN N E E A B - 0 14 -78.9 81.9 -173.5 -169.8 22.4 124.3 7 -0.9 0 0.0 0 0.0 0 0.0 13 79
10 A 13 GLY G e - 0 0 -81.4 156.3 176.5 -119.3 33.8 109.7 8 -1.5 0 0.0 13 -0.9 0 0.0 12 72
11 A 14 SER S S S S+ 0 0 -59.5 -29.6 178.5 6.6 113.2 39.1 0 0.0 0 0.0 0 0.0 0 0.0 15 64
12 A 15 GLY G S e S+ 0 0 -124.3 -29.4 -178.3 39.5 133.7 57.2 0 0.0 30 -1.9 0 0.0 0 0.0 13 61
13 A 16 LEU L E E A C - 0 29 -131.1 134.5 168.0 -144.1 62.4 173.1 0 0.0 10 -0.9 0 0.0 0 0.0 11 62
14 A 17 VAL V E E ABC - 9 28 -85.7 129.2 172.8 -164.8 18.2 138.5 28 -3.1 28 -1.6 0 0.0 0 0.0 14 64
15 A 18 LYS K E E ABC + 8 27 -112.5 117.9 -178.7 163.5 20.6 173.3 8 -2.1 8 -3.3 0 0.0 0 0.0 15 64
16 A 19 ALA A E E ABC + 7 26 -141.5 153.9 -178.6 113.1 6.2 164.7 26 -2.7 26 -2.4 0 0.0 25 -0.8 15 60
17 A 20 GLY G E E AB - 6 0 179.2 -160.0 -176.2 -48.0 58.0 163.7 6 -1.9 6 -2.7 0 0.0 0 0.0 13 54
18 A 21 PHE F E E AB > T - 5 0 -106.6 138.2 179.6 -106.9 53.5 145.0 0 0.0 21 -2.2 0 0.0 0 0.0 12 51
19 A 22 ALA A T e 3 TS+ 0 0 -59.1 138.6 -178.6 33.7 108.6 112.0 4 -3.1 0 0.0 0 0.0 0 0.0 13 52
20 A 23 GLY G T T 3 TS+ 0 0 100.5 -31.4 171.3 116.7 88.1 85.3 0 0.0 0 0.0 0 0.0 0 0.0 8 34
21 A 24 ASP D S t < TS- 0 0 -64.9 153.8 -178.8 -128.9 70.3 116.5 18 -2.2 0 0.0 0 0.0 0 0.0 8 35
22 A 25 ASP D S S S+ 0 0 -79.8 -17.6 -177.8 8.7 86.2 45.4 0 0.0 0 0.0 0 0.0 0 0.0 6 36
23 A 26 ALA A S S S- 0 0 -155.9 158.8 -179.2 -79.8 95.4 163.4 0 0.0 0 0.0 0 0.0 0 0.0 8 42
24 A 27 PRO P - 0 0 -68.6 138.1 177.1 -152.8 26.9 116.4 0 0.0 0 0.0 0 0.0 0 0.0 13 49
25 A 28 ARG R S S S+ 0 0 -78.9 -25.5 -175.6 50.7 81.9 49.1 16 -0.8 0 0.0 0 0.0 0 0.0 9 37
26 A 29 ALA A E E AC + 16 0 -121.2 121.7 178.1 166.1 57.3 169.1 16 -2.4 16 -2.7 0 0.0 0 0.0 11 43
27 A 30 VAL V E E AC + 15 0 -130.2 112.1 -178.8 147.1 18.1 160.4 0 0.0 0 0.0 0 0.0 0 0.0 9 48
28 A 31 PHE F E E AC - 14 0 -145.4 164.0 -175.7 -79.7 50.3 169.5 14 -1.6 14 -3.1 0 0.0 0 0.0 9 51
29 A 32 PRO P E E AC - 13 0 -68.5 140.3 179.3 -129.0 32.8 108.9 0 0.0 31 -2.1 0 0.0 0 0.0 10 54
30 A 33 SER S e + 0 0 -86.8 65.1 -175.5 122.3 68.2 115.2 12 -1.9 0 0.0 0 0.0 0 0.0 16 60
31 A 34 ILE I e - 0 0 -131.2 140.5 177.8 -164.2 44.3 171.8 29 -2.1 52 -2.5 0 0.0 0 0.0 14 54
32 A 35 VAL V E E BDE - 65 51 -125.6 131.7 179.1 -159.9 9.7 168.8 65 -2.2 65 -2.5 0 0.0 0 0.0 16 51
33 A 36 GLY G E E BDE - 64 50 -117.5 138.7 -179.2 -173.1 6.9 159.9 50 -3.1 50 -1.8 0 0.0 0 0.0 15 46
34 A 37 ARG R E E BD - 63 0 -129.7 136.3 176.0 -114.6 27.2 174.2 63 -2.3 63 -3.0 0 0.0 0 0.0 10 44
35 A 38 PRO P - 0 0 -60.1 155.5 -179.8 -150.5 14.6 106.5 0 0.0 0 0.0 0 0.0 0 0.0 12 33
36 A 39 ARG R S S S+ 0 0 -106.4 -1.9 -174.3 45.7 78.3 64.9 0 0.0 0 0.0 0 0.0 0 0.0 9 27
37 A 40 HIS H S h > TS- 0 0 -147.2 137.7 -177.7 -134.0 73.1 175.5 0 0.0 41 -2.4 0 0.0 0 0.0 6 23
38 A 41 GLN Q H H > TS+ 0 0 -61.6 -40.9 178.8 52.8 107.2 32.5 0 0.0 42 -2.5 0 0.0 0 0.0 7 19
39 A 42 GLY G H H > TS+ 0 0 -62.2 -39.5 178.6 47.3 110.8 27.9 0 0.0 43 -2.8 0 0.0 0 0.0 6 17
40 A 43 VAL V H H > TS+ 0 0 -67.8 -41.1 175.9 53.1 111.0 21.3 0 0.0 44 -1.7 0 0.0 0 0.0 9 23
41 A 44 MET M H H < >TS+ 0 0 -57.2 -50.8 179.0 38.8 115.4 21.8 37 -2.4 46 -2.0 0 0.0 0 0.0 13 24
42 A 45 VAL V H H < >5TS+ 0 0 -66.9 -42.9 -177.2 54.5 114.3 22.2 38 -2.5 45 -1.9 0 0.0 0 0.0 9 18
43 A 46 GLY G H H < 35TS+ 0 0 -64.7 -25.6 178.2 50.9 107.2 42.9 39 -2.8 0 0.0 0 0.0 0 0.0 7 18
44 A 47 MET M T h < 35TS- 0 0 -94.3 4.8 175.3 -71.9 139.9 69.2 40 -1.7 0 0.0 0 0.0 0 0.0 7 26
45 A 48 GLY G T T <5T - 0 0 122.0 5.3 178.1 -87.6 63.7 55.9 42 -1.9 0 0.0 0 0.0 0 0.0 6 22
46 A 49 GLN Q S t T - 32 0 -126.5 147.7 173.0 -20.0 50.0 163.4 0 0.0 54 -1.0 0 0.0 0 0.0 14 52
52 A 55 GLY G T h > 3 TS+ 0 0 69.9 -136.6 -177.0 0.3 124.4 109.3 31 -2.5 56 -2.4 0 0.0 0 0.0 11 49
53 A 56 ASP D H H > 3 TS+ 0 0 -63.0 -31.0 177.8 57.6 132.0 31.8 0 0.0 57 -2.4 0 0.0 0 0.0 8 39
54 A 57 GLU E H H > < TS+ 0 0 -63.6 -39.2 -179.9 46.7 108.5 28.6 51 -1.0 58 -1.0 0 0.0 0 0.0 8 38
55 A 58 ALA A H H 4 > TS+ 0 0 -66.6 -45.6 178.1 50.4 111.6 19.4 0 0.0 58 -0.5 0 0.0 0 0.0 15 41
56 A 59 GLN Q H H < > TS+ 0 0 -61.8 -36.2 179.2 58.3 104.1 24.8 52 -2.4 59 -1.7 0 0.0 0 0.0 10 34
57 A 60 SER S H H < 3 TS+ 0 0 -64.9 -30.3 -180.0 49.9 106.2 32.5 53 -2.4 0 0.0 0 0.0 0 0.0 6 31
58 A 61 LYS K T h X X TS+ 0 0 -94.1 21.5 177.5 144.4 80.4 81.4 54 -1.0 62 -2.3 55 -0.5 61 -1.7 9 34
59 A 62 ARG R B B 4 a < T + 62 0 -61.0 147.2 -178.0 32.7 62.9 100.6 56 -1.7 0 0.0 0 0.0 0 0.0 10 33
60 A 63 GLY G T T 4 3 TS+ 0 0 91.6 -26.7 176.9 52.8 121.9 81.9 62 -0.7 0 0.0 0 0.0 0 0.0 5 26
61 A 64 ILE I T T 4 < TS+ 0 0 -99.4 -61.9 174.4 45.0 109.4 38.7 58 -1.7 0 0.0 0 0.0 0 0.0 7 32
62 A 65 LEU L B B < a TS- 59 0 -76.1 158.2 168.9 -115.7 89.3 118.5 58 -2.3 60 -0.7 0 0.0 64 -0.5 11 36
63 A 66 THR T E E BD - 34 0 -89.2 124.3 -179.8 -141.8 35.1 148.5 34 -3.0 34 -2.3 0 0.0 0 0.0 10 33
64 A 67 LEU L E E BD - 33 0 -91.6 144.9 171.9 -167.3 16.7 133.6 62 -0.5 0 0.0 0 0.0 0 0.0 11 38
65 A 68 LYS K E E BD - 32 0 -129.4 141.6 174.3 -157.0 18.2 176.9 32 -2.5 32 -2.2 0 0.0 0 0.0 8 46
66 A 69 TYR Y t > T - 0 0 -108.8 95.9 -173.7 -177.4 14.7 155.0 0 0.0 69 -1.2 0 0.0 0 0.0 10 46
67 A 70 PRO P T T 3 TS+ 0 0 -77.1 -4.4 178.3 36.3 85.7 60.3 0 0.0 73 -2.9 0 0.0 74 -0.8 13 45
68 A 71 ILE I T T 3 T 0 0 -130.2 32.7 -167.2 999.9 999.9 104.8 0 0.0 0 0.0 0 0.0 0 0.0 13 55
69!A 72 GLU E t < T 0 0 -43.8 999.9 999.9 999.9 999.9 38.4 66 -1.2 0 0.0 0 0.0 0 0.0 9 45
70!A 74 GLY G 0 0 999.9 -23.5 178.7 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 11 60
71 A 75 ILE I - 0 0 -100.2 134.9 179.1 -117.1 999.9 143.7 0 0.0 0 0.0 0 0.0 0 0.0 9 50
72 A 76 ILE I + 0 0 -72.9 125.5 -176.0 169.9 38.4 127.8 0 0.0 0 0.0 0 0.0 0 0.0 10 51
73 A 77 THR T + 0 0 -116.3 -7.8 179.6 48.6 61.0 60.5 67 -2.9 0 0.0 0 0.0 0 0.0 6 37
74 A 78 ASN N h > T - 0 0 -140.7 111.1 -174.5 -171.5 56.0 156.4 67 -0.8 78 -2.1 0 0.0 0 0.0 8 34
75 A 79 TRP W H H > TS+ 0 0 -76.8 -27.9 175.9 55.1 86.2 36.8 0 0.0 79 -2.4 0 0.0 0 0.0 8 38
76 A 80 ASP D H H > TS+ 0 0 -71.0 -40.6 176.5 43.6 113.1 20.2 0 0.0 80 -1.6 0 0.0 0 0.0 6 35
77 A 81 ASP D H H > TS+ 0 0 -65.0 -41.9 -179.5 52.8 112.8 24.8 0 0.0 81 -2.1 0 0.0 0 0.0 10 45
78 A 82 MET M H H X TS+ 0 0 -62.4 -38.8 176.0 55.3 104.5 24.8 74 -2.1 82 -2.8 0 0.0 0 0.0 10 56
79 A 83 GLU E H H X TS+ 0 0 -58.8 -41.1 177.0 51.1 107.4 25.6 75 -2.4 83 -2.6 0 0.0 0 0.0 9 48
80 A 84 LYS K H H X TS+ 0 0 -61.6 -42.3 179.4 50.0 109.5 25.6 76 -1.6 84 -2.4 0 0.0 0 0.0 11 46
81 A 85 ILE I H H X TS+ 0 0 -63.2 -44.0 178.6 45.5 113.0 21.5 77 -2.1 85 -2.4 0 0.0 0 0.0 12 60
82 A 86 TRP W H H X TS+ 0 0 -66.7 -37.8 176.7 52.6 111.4 29.0 78 -2.8 86 -2.6 0 0.0 0 0.0 8 67
83 A 87 HIS H H H X TS+ 0 0 -61.3 -41.6 180.0 47.3 111.2 21.3 79 -2.6 87 -3.0 0 0.0 0 0.0 9 50
84 A 88 HIS H H H X >TS+ 0 0 -62.4 -44.1 -179.2 52.6 111.2 23.5 80 -2.4 89 -2.3 0 0.0 88 -2.0 10 48
85 A 89 THR T H H < >TS+ 0 0 -56.1 -51.7 -175.8 34.6 118.0 16.3 81 -2.4 90 -2.8 0 0.0 0 0.0 12 54
86 A 90 PHE F H H < 5TS+ 0 0 -72.6 -51.3 -169.0 28.0 129.9 19.6 82 -2.6 92 -2.6 0 0.0 0 0.0 12 50
87 A 91 TYR Y H H < 5TS+ 0 0 -89.1 -28.2 -173.0 27.4 130.3 45.8 83 -3.0 0 0.0 0 0.0 0 0.0 10 35
88 A 92 ASN N T h < 5TS+ 0 0 -104.6 -37.8 -178.7 29.9 128.7 39.7 84 -2.0 0 0.0 0 0.0 0 0.0 8 32
89 A 93 GLU E T T T - 0 0 -102.4 105.7 -173.5 -153.7 26.7 157.1 0 0.0 96 -2.3 0 0.0 0 0.0 8 33
94 A 98 PRO P G G > TS+ 0 0 -60.0 -22.6 178.0 70.7 87.0 36.5 0 0.0 97 -1.8 0 0.0 0 0.0 11 47
95 A 99 GLU E G G 3 TS+ 0 0 -70.7 -6.0 178.3 54.9 96.1 50.6 0 0.0 0 0.0 0 0.0 0 0.0 9 36
96 A 100 GLU E G G < TS+ 0 0 -100.6 -5.9 -173.8 66.9 101.8 65.9 93 -2.3 0 0.0 0 0.0 0 0.0 9 32
97 A 101 HIS H S g < TS- 0 0 -130.8 122.0 166.0 -132.6 72.2 160.6 94 -1.8 0 0.0 0 0.0 0 0.0 14 45
98 A 102 PRO P e - 0 0 -52.7 135.7 -174.3 -148.5 38.6 113.9 0 0.0 5 -2.8 0 0.0 0 0.0 15 56
99 A 103 THR T E E Aaf - 5 128 -127.9 125.3 176.7 -157.1 14.6 165.1 127 -2.1 129 -1.5 0 0.0 101 -0.5 13 68
100 A 104 LEU L E E Aaf - 6 129 -95.9 123.7 178.6 -167.6 15.8 152.2 5 -2.8 7 -2.9 0 0.0 0 0.0 14 75
101 A 105 LEU L E E Aaf - 7 130 -111.0 147.1 177.0 -137.8 10.9 145.8 129 -2.8 131 -2.4 99 -0.5 0 0.0 12 77
102 A 106 THR T E E A f - 0 131 -102.3 154.5 177.7 -163.5 16.0 138.8 7 -1.4 0 0.0 0 0.0 0 0.0 12 73
103 A 107 GLU E E E A f - 0 132 -137.8 152.5 -178.4 -105.6 22.4 166.3 131 -2.0 133 -2.8 0 0.0 0 0.0 14 66
104 A 108 ALA A t > T - 0 0 -68.7 159.6 172.0 -86.4 47.8 106.3 0 0.0 107 -1.2 0 0.0 0 0.0 10 68
105 A 109 PRO P T T 3 TS+ 0 0 -60.6 143.7 179.7 20.0 115.9 111.2 0 0.0 0 0.0 0 0.0 0 0.0 11 60
106 A 110 LEU L T T 3 TS+ 0 0 64.2 28.2 177.9 167.6 82.6 39.7 0 0.0 0 0.0 0 0.0 0 0.0 6 44
107 A 111 ASN N t < T - 0 0 -72.7 128.2 -178.9 -111.8 40.8 124.5 104 -1.2 0 0.0 0 0.0 0 0.0 9 44
108 A 112 PRO P h > > T - 0 0 -58.5 149.0 177.3 -122.7 16.6 99.9 0 0.0 112 -2.1 0 0.0 111 -0.6 6 31
109 A 113 LYS K H H > 3 TS+ 0 0 -58.8 -38.9 179.8 55.6 113.9 23.7 0 0.0 113 -2.5 0 0.0 0 0.0 7 30
110 A 114 ALA A H H > 3 TS+ 0 0 -65.1 -30.2 177.9 53.1 105.6 31.9 0 0.0 114 -1.8 0 0.0 0 0.0 6 28
111 A 115 ASN N H H > < TS+ 0 0 -71.1 -43.5 178.0 47.8 108.5 20.5 108 -0.6 115 -2.6 0 0.0 0 0.0 9 39
112 A 116 ARG R H H X TS+ 0 0 -63.2 -37.2 176.0 53.4 110.8 26.2 108 -2.1 116 -2.1 0 0.0 0 0.0 12 46
113 A 117 GLU E H H X TS+ 0 0 -62.6 -38.7 179.3 48.6 108.4 25.4 109 -2.5 117 -2.5 0 0.0 0 0.0 11 44
114 A 118 LYS K H H X TS+ 0 0 -71.2 -37.7 175.4 52.7 109.2 24.7 110 -1.8 118 -2.4 0 0.0 0 0.0 8 39
115 A 119 MET M H H X TS+ 0 0 -57.3 -46.2 -179.4 46.8 112.0 23.1 111 -2.6 119 -2.2 0 0.0 0 0.0 8 58
116 A 120 THR T H H X TS+ 0 0 -62.8 -46.4 177.2 53.4 109.1 19.7 112 -2.1 120 -2.5 0 0.0 0 0.0 11 56
117 A 121 GLN Q H H X TS+ 0 0 -56.2 -44.8 179.1 48.0 110.1 22.7 113 -2.5 121 -3.0 0 0.0 0 0.0 10 45
118 A 122 ILE I H H X >TS+ 0 0 -65.1 -43.7 -178.5 52.3 109.7 22.5 114 -2.4 122 -1.9 0 0.0 123 -1.7 10 49
119 A 123 MET M H H < 5TS+ 0 0 -59.5 -46.3 -177.5 34.0 119.7 21.8 115 -2.2 125 -1.9 0 0.0 0 0.0 11 60
120 A 124 PHE F H H < 5TS+ 0 0 -75.4 -44.6 -174.1 33.0 128.8 23.9 116 -2.5 0 0.0 0 0.0 0 0.0 12 45
121 A 125 GLU E H H < 5TS+ 0 0 -82.7 -42.9 -179.7 32.3 128.2 27.3 117 -3.0 0 0.0 0 0.0 0 0.0 7 33
122 A 126 THR T T h < 5TS+ 0 0 -80.9 -44.4 -175.7 23.6 134.3 25.5 118 -1.9 0 0.0 0 0.0 0 0.0 7 35
123 A 127 PHE F S t Af T - 103 0 -74.9 129.9 -176.4 -133.8 27.4 125.2 0 0.0 136 -2.1 0 0.0 0 0.0 10 68
133 A 137 GLN Q H H > TS+ 0 0 -54.1 -46.1 -178.2 49.8 102.2 28.9 103 -2.8 137 -2.2 0 0.0 0 0.0 12 76
134 A 138 ALA A H H > TS+ 0 0 -66.0 -34.1 176.8 53.3 108.7 32.2 0 0.0 138 -2.1 0 0.0 0 0.0 13 78
135 A 139 VAL V H H > TS+ 0 0 -64.9 -40.3 176.3 50.7 108.2 23.2 0 0.0 139 -2.7 0 0.0 0 0.0 13 64
136 A 140 LEU L H H X TS+ 0 0 -62.1 -40.1 178.0 50.9 109.4 23.1 132 -2.1 140 -2.4 0 0.0 0 0.0 15 66
137 A 141 SER S H H X TS+ 0 0 -65.3 -37.4 176.9 51.3 109.0 23.6 133 -2.2 141 -1.0 0 0.0 0 0.0 16 73
138 A 142 LEU L H H < >>TS+ 0 0 -63.5 -43.2 176.4 48.8 110.4 20.6 134 -2.1 143 -1.8 0 0.0 141 -0.9 15 62
139 A 143 TYR Y H H < >5TS+ 0 0 -63.0 -36.7 178.1 59.0 104.4 25.5 135 -2.7 142 -2.0 0 0.0 0 0.0 10 52
140 A 144 ALA A H H < 35TS+ 0 0 -62.9 -22.3 178.7 52.4 104.4 38.9 136 -2.4 0 0.0 0 0.0 0 0.0 12 56
141 A 145 SER S T h < <5TS- 0 0 -92.0 -0.6 177.1 -109.7 122.6 64.4 137 -1.0 0 0.0 138 -0.9 0 0.0 9 48
142 A 146 GLY G T T <5TS+ 0 0 79.5 34.2 175.7 101.3 80.8 41.1 139 -2.0 0 0.0 0 0.0 0 0.0 6 39
143 A 147 ARG R t TS- 0 165 -121.3 117.6 -178.2 -25.1 77.2 169.0 165 -2.7 165 -2.2 0 0.0 0 0.0 11 44
163 A 167 GLU E T T 3 TS- 0 0 48.7 48.4 179.2 -43.1 130.5 27.4 0 0.0 0 0.0 0 0.0 0 0.0 6 33
164 A 168 GLY G T T 3 TS+ 0 0 86.6 -10.8 -179.5 115.2 115.2 70.5 144 -3.0 166 -0.6 0 0.0 0 0.0 8 38
165 A 169 TYR Y E E CK < T - 162 0 -100.0 121.4 177.4 -145.0 58.0 148.3 162 -2.2 162 -2.7 0 0.0 0 0.0 7 39
166 A 170 ALA A E E CK - 161 0 -77.1 135.5 -179.0 -130.9 20.8 129.4 164 -0.6 0 0.0 0 0.0 0 0.0 9 53
167 A 171 LEU L e > T - 0 0 -93.2 103.7 -169.1 -163.0 19.1 141.7 160 -2.5 170 -1.7 0 0.0 0 0.0 11 46
168 A 172 PRO P G G > TS+ 0 0 -62.6 -35.5 179.3 57.6 82.4 33.7 0 0.0 171 -1.2 0 0.0 0 0.0 7 38
169 A 173 HIS H G G 3 TS+ 0 0 -68.3 -14.9 -178.0 47.2 109.1 44.6 0 0.0 0 0.0 0 0.0 0 0.0 5 28
170 A 174 ALA A G G < TS+ 0 0 -107.9 5.4 179.3 118.0 81.3 65.9 167 -1.7 0 0.0 0 0.0 0 0.0 11 37
171 A 175 ILE I g < T - 0 0 -74.9 136.7 178.7 -159.5 47.6 119.4 168 -1.2 0 0.0 0 0.0 0 0.0 13 50
172 A 176 MET M E E CJ - 158 0 -118.3 136.2 -178.8 -161.0 2.5 158.5 158 -2.2 158 -2.4 0 0.0 0 0.0 10 45
173 A 177 ARG R E E CJ - 157 0 -120.0 127.1 -179.8 -173.4 6.4 170.7 0 0.0 0 0.0 0 0.0 0 0.0 8 53
174 A 178 LEU L E E CJ - 156 0 -120.3 115.3 -175.5 -144.9 19.8 165.3 156 -3.4 176 -2.1 0 0.0 156 -2.1 9 54
175 A 179 ASP D S S S+ 0 0 -84.3 61.7 176.6 92.0 71.8 107.7 0 0.0 0 0.0 0 0.0 0 0.0 7 47
176 A 180 LEU L + 0 0 -146.0 128.8 173.3 125.1 45.4 163.1 174 -2.1 0 0.0 0 0.0 0 0.0 11 51
177 A 181 ALA A h > > T - 0 0 -160.9 -147.8 -170.9 -33.8 69.3 134.9 0 0.0 181 -1.7 0 0.0 180 -0.5 14 61
178 A 182 GLY G H H > 3 TS+ 0 0 -60.0 -33.5 -178.7 56.2 124.5 36.9 152 -2.5 182 -2.4 0 0.0 0 0.0 12 59
179 A 183 ARG R H H > 3 TS+ 0 0 -65.4 -36.1 176.4 47.4 110.7 22.8 153 -2.6 183 -2.2 0 0.0 0 0.0 9 52
180 A 184 ASP D H H > < TS+ 0 0 -68.3 -40.8 178.1 52.1 109.6 32.0 153 -0.5 184 -2.4 177 -0.5 0 0.0 10 48
181 A 185 LEU L H H X TS+ 0 0 -64.2 -39.5 177.8 49.8 109.5 27.7 177 -1.7 185 -2.4 0 0.0 0 0.0 11 62
182 A 186 THR T H H X TS+ 0 0 -65.0 -44.0 177.9 48.2 112.0 18.8 178 -2.4 186 -2.1 0 0.0 0 0.0 12 56
183 A 187 ASP D H H X TS+ 0 0 -60.3 -38.8 -179.4 49.9 111.8 25.4 179 -2.2 187 -1.9 0 0.0 0 0.0 9 48
184 A 188 TYR Y H H X TS+ 0 0 -69.2 -41.3 175.4 52.3 108.3 25.9 180 -2.4 188 -2.6 0 0.0 0 0.0 10 52
185 A 189 LEU L H H X TS+ 0 0 -62.2 -37.1 176.1 52.8 107.4 26.2 181 -2.4 189 -2.0 0 0.0 0 0.0 12 57
186 A 190 MET M H H X TS+ 0 0 -59.5 -45.4 -177.9 46.2 112.4 19.4 182 -2.1 190 -1.7 0 0.0 0 0.0 13 49
187 A 191 LYS K H H X TS+ 0 0 -64.2 -44.1 -176.3 47.3 112.4 26.3 183 -1.9 191 -1.1 0 0.0 0 0.0 9 39
188 A 192 ILE I H H < TS+ 0 0 -72.1 -29.0 177.1 51.8 111.0 35.5 184 -2.6 0 0.0 0 0.0 0 0.0 9 40
189 A 193 LEU L H H < >>TS+ 0 0 -71.6 -30.0 177.5 59.2 103.1 32.7 185 -2.0 194 -1.2 0 0.0 192 -1.0 12 45
190 A 194 THR T H H < >5TS+ 0 0 -70.1 -21.7 171.2 68.0 94.1 29.9 186 -1.7 193 -1.6 0 0.0 0 0.0 10 30
191 A 195 GLU E T h < 35TS+ 0 0 -61.3 -34.5 178.4 57.1 93.3 36.7 187 -1.1 0 0.0 0 0.0 0 0.0 7 24
192 A 196 ARG R T T <5TS- 0 0 -78.2 -4.1 -179.6 -90.4 130.6 68.5 189 -1.0 0 0.0 0 0.0 0 0.0 6 23
193 A 197 GLY G T T <5TS+ 0 0 106.2 -3.6 172.5 121.9 92.1 68.5 190 -1.6 0 0.0 0 0.0 0 0.0 6 19
194 A 198 TYR Y t TS- 0 0 -72.9 176.2 177.3 -105.0 84.8 96.7 0 0.0 202 -2.2 0 0.0 0 0.0 6 27
199 A 203 THR T H H > TS+ 0 0 -62.9 -45.4 177.5 48.5 125.1 24.8 0 0.0 203 -1.8 0 0.0 0 0.0 6 29
200 A 204 ALA A H H > TS+ 0 0 -60.3 -39.6 179.0 52.1 109.7 28.1 0 0.0 204 -1.8 0 0.0 0 0.0 6 25
201 A 205 GLU E H H > TS+ 0 0 -68.1 -33.1 176.9 56.4 104.4 34.1 0 0.0 205 -2.5 0 0.0 0 0.0 9 36
202 A 206 ARG R H H X TS+ 0 0 -65.3 -39.6 176.8 50.5 106.3 25.3 198 -2.2 206 -2.7 0 0.0 0 0.0 13 35
203 A 207 GLU E H H X TS+ 0 0 -62.5 -40.5 174.7 49.8 110.2 24.0 199 -1.8 207 -1.9 0 0.0 0 0.0 8 40
204 A 208 ILE I H H X TS+ 0 0 -60.1 -49.0 -178.4 48.7 111.5 19.4 200 -1.8 208 -2.2 0 0.0 0 0.0 9 41
205 A 209 VAL V H H X TS+ 0 0 -63.6 -38.0 174.9 55.9 106.2 29.8 201 -2.5 209 -2.8 0 0.0 0 0.0 12 47
206 A 210 ARG R H H X TS+ 0 0 -57.6 -39.2 177.0 49.4 109.0 22.9 202 -2.7 210 -2.5 0 0.0 0 0.0 9 49
207 A 211 ASP D H H X TS+ 0 0 -66.7 -43.6 178.6 49.5 109.7 19.3 203 -1.9 211 -1.6 0 0.0 0 0.0 8 41
208 A 212 ILE I H H X >TS+ 0 0 -60.3 -45.4 179.9 50.4 112.1 18.5 204 -2.2 212 -3.0 0 0.0 213 -0.5 10 51
209 A 213 LYS K H H X 5TS+ 0 0 -56.0 -50.3 -176.6 44.7 112.6 22.4 205 -2.8 213 -1.6 0 0.0 0 0.0 11 56
210 A 214 GLU E H H < 5TS+ 0 0 -70.2 -25.0 -179.7 38.0 121.8 47.1 206 -2.5 0 0.0 0 0.0 0 0.0 8 46
211 A 215 LYS K H H < 5TS+ 0 0 -96.0 -32.3 -173.2 19.4 129.3 39.2 207 -1.6 0 0.0 0 0.0 0 0.0 6 40
212 A 216 LEU L H H < 5TS+ 0 0 -120.2 -12.0 -179.3 99.2 90.9 56.7 208 -3.0 0 0.0 0 0.0 0 0.0 8 44
213 A 217 CYS C h < TS- 0 0 -149.2 118.6 -174.6 -150.5 70.5 157.2 0 0.0 222 -2.3 0 0.0 0 0.0 7 38
219 A 223 PHE F H H > TS+ 0 0 -58.1 -42.7 -174.3 45.2 95.3 25.4 0 0.0 223 -2.2 0 0.0 0 0.0 10 39
220 A 224 GLU E H H > TS+ 0 0 -75.4 -36.5 177.0 47.1 114.7 21.3 0 0.0 224 -1.9 0 0.0 0 0.0 6 25
221 A 225 ASN N H H > TS+ 0 0 -71.2 -32.2 176.8 53.0 110.7 31.3 0 0.0 225 -1.5 0 0.0 0 0.0 7 20
222 A 226 GLU E H H X TS+ 0 0 -66.2 -40.3 175.0 51.0 108.1 26.2 218 -2.3 226 -1.2 0 0.0 0 0.0 10 31
223 A 227 MET M H H X TS+ 0 0 -60.3 -37.8 -178.9 52.3 108.7 24.6 219 -2.2 227 -0.6 0 0.0 0 0.0 9 29
224 A 228 ALA A H H < TS+ 0 0 -69.1 -31.1 -179.5 48.4 109.6 36.7 220 -1.9 0 0.0 0 0.0 0 0.0 7 22
225 A 229 THR T H H X > TS+ 0 0 -80.0 -22.3 -176.7 84.3 91.7 46.1 221 -1.5 229 -1.2 0 0.0 228 -0.6 8 23
226 A 230 ALA A H H < > TS+ 0 0 -51.4 -43.2 -175.6 60.2 79.8 28.2 222 -1.2 229 -0.8 0 0.0 0 0.0 10 28
227 A 231 ALA A T h < 3 TS+ 0 0 -57.7 -44.5 -179.0 25.9 118.9 30.5 223 -0.6 0 0.0 0 0.0 0 0.0 6 19
228 A 232 SER S T T 4 < TS+ 0 0 -99.8 0.8 -178.8 123.3 90.8 64.0 225 -0.6 0 0.0 0 0.0 0 0.0 5 14
229 A 233 SER S t < < T - 0 0 -63.6 134.8 175.1 -163.7 43.5 112.9 225 -1.2 0 0.0 226 -0.8 0 0.0 8 19
230 A 234 SER S S S S+ 0 0 -94.3 -2.0 -178.0 40.6 88.2 52.3 0 0.0 0 0.0 0 0.0 0 0.0 5 17
231 A 235 SER S S S S+ 0 0 -118.9 -6.5 -177.8 82.0 90.2 57.4 0 0.0 0 0.0 0 0.0 0 0.0 5 24
232 A 236 LEU L S S S+ 0 0 -64.1 -55.0 -176.2 78.4 75.6 14.0 0 0.0 0 0.0 0 0.0 0 0.0 8 34
233 A 237 GLU E - 0 0 -61.9 129.7 177.4 -178.3 60.1 107.9 0 0.0 0 0.0 0 0.0 0 0.0 10 33
234 A 238 LYS K E E DL - 246 0 -125.3 145.9 175.7 -136.1 19.3 165.1 246 -2.6 246 -2.8 0 0.0 0 0.0 9 30
235 A 239 SER S E E DL - 245 0 -96.4 148.5 176.9 -169.0 17.9 137.6 0 0.0 0 0.0 0 0.0 0 0.0 8 29
236 A 240 TYR Y E E DL - 244 0 -142.4 124.0 -179.0 -138.2 15.3 165.1 244 -2.3 244 -2.8 0 0.0 0 0.0 9 33
237 A 241 GLU E E E DL - 243 0 -85.1 125.1 176.4 -147.3 19.0 131.7 0 0.0 0 0.0 0 0.0 0 0.0 8 25
238 A 242 LEU L e > T - 0 0 -81.2 168.4 178.5 -99.4 31.1 115.9 242 -2.7 241 -2.3 0 0.0 0 0.0 9 31
239 A 243 PRO P T T 3 TS+ 0 0 -61.0 -24.5 178.4 57.0 122.2 35.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22
240 A 244 ASP D T T 3 TS- 0 0 -87.7 4.4 -179.9 -105.8 120.6 66.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
241 A 245 GLY G S t < TS+ 0 0 90.2 -7.0 176.0 130.3 79.7 67.5 238 -2.3 0 0.0 0 0.0 0 0.0 6 12
242 A 246 GLN Q e - 0 0 -72.9 157.9 179.5 -140.3 50.7 115.7 0 0.0 238 -2.7 0 0.0 0 0.0 7 18
243 A 247 VAL V E E DL - 237 0 -123.1 123.7 178.1 -163.7 14.9 173.1 0 0.0 0 0.0 0 0.0 0 0.0 8 24
244 A 248 ILE I E E DL - 236 0 -100.9 161.9 175.6 -131.8 14.3 131.8 236 -2.8 236 -2.3 0 0.0 0 0.0 8 37
245 A 249 THR T E E DL - 235 0 -114.4 132.9 179.7 -165.3 17.9 157.1 0 0.0 0 0.0 0 0.0 0 0.0 8 38
246 A 250 ILE I E E DL + 234 0 -118.7 129.2 -177.2 147.1 22.2 176.2 234 -2.8 234 -2.6 0 0.0 0 0.0 10 48
247 A 251 GLY G S t > TS+ 0 0 -125.0 -102.8 -179.1 6.5 70.8 67.5 0 0.0 250 -1.8 0 0.0 0 0.0 9 45
248 A 252 ASN N T h > > TS+ 0 0 -66.0 -15.8 175.5 76.2 115.1 47.8 0 0.0 252 -2.5 0 0.0 251 -1.0 10 47
249 A 253 GLU E H H > 3 TS+ 0 0 -62.3 -24.0 178.4 72.7 81.1 36.3 0 0.0 253 -1.8 0 0.0 0 0.0 11 56
250 A 254 ARG R H H 4 < TS+ 0 0 -57.3 -40.9 178.8 19.6 114.7 28.1 247 -1.8 214 -2.2 0 0.0 0 0.0 12 58
251 A 255 PHE F H H > < TS+ 0 0 -107.6 -17.6 174.5 67.7 114.9 47.1 248 -1.0 255 -1.4 0 0.0 0 0.0 12 56
252 A 256 ARG R H H X TS+ 0 0 -63.6 -39.7 179.4 58.3 97.1 25.1 248 -2.5 256 -0.7 0 0.0 0 0.0 9 56
253 A 257 CYS C H H < > TS+ 0 0 -57.8 -56.8 -179.9 35.2 112.1 13.7 249 -1.8 256 -1.3 0 0.0 0 0.0 11 60
254 A 258 PRO P H H 4 > TS+ 0 0 -75.2 -11.4 174.5 81.7 98.1 44.3 0 0.0 257 -2.0 0 0.0 0 0.0 13 69
255 A 259 GLU E H H X > TS+ 0 0 -58.0 -25.8 177.2 77.1 76.7 32.0 251 -1.4 259 -2.2 0 0.0 258 -1.5 11 60
256 A 260 THR T T h < < TS+ 0 0 -54.1 -34.5 176.9 63.8 81.8 37.1 253 -1.3 0 0.0 252 -0.7 0 0.0 13 60
257 A 261 LEU L T G 4 < TS+ 0 0 -60.5 -35.9 178.3 33.3 113.8 31.8 254 -2.0 270 -2.4 0 0.0 0 0.0 10 71
258 A 262 PHE F T g 4 < TS+ 0 0 -87.3 -25.5 -176.9 34.5 131.6 45.8 255 -1.5 0 0.0 0 0.0 0 0.0 10 61
259 A 263 GLN Q g < > T + 0 0 -130.8 78.7 -177.5 176.1 63.3 133.5 255 -2.2 262 -2.3 0 0.0 0 0.0 9 41
260 A 264 PRO P G G >>TS+ 0 0 -61.0 -14.7 175.3 80.5 72.3 44.8 0 0.0 263 -2.0 0 0.0 265 -1.8 14 40
261 A 265 A SER S G G >5TS+ 0 0 -65.4 -15.4 175.1 77.1 73.9 42.2 0 0.0 264 -1.5 0 0.0 0 0.0 9 27
262 A 266 PHE F G G <5TS+ 0 0 -62.7 -28.1 177.9 33.9 104.7 39.7 259 -2.3 0 0.0 0 0.0 0 0.0 7 34
263 A 267 ILE I G G <5TS- 0 0 -111.2 18.6 176.8 -95.4 128.6 82.7 260 -2.0 0 0.0 0 0.0 0 0.0 7 33
264 A 268 GLY G T g <5TS+ 0 0 75.8 32.6 173.3 138.6 78.6 34.8 261 -1.5 0 0.0 0 0.0 0 0.0 6 25
265 A 269 MET M t T - 0 0 -78.5 168.2 -172.2 -94.7 35.7 104.2 0 0.0 273 -2.2 0 0.0 0 0.0 11 52
270 A 274 ILE I H H > TS+ 0 0 -62.5 -25.7 177.1 53.6 123.9 41.0 257 -2.4 274 -1.3 0 0.0 0 0.0 11 65
271 A 275 HIS H H H > TS+ 0 0 -75.4 -35.5 178.3 47.8 110.3 26.1 0 0.0 275 -2.1 0 0.0 0 0.0 10 61
272 A 276 GLU E H H > TS+ 0 0 -70.1 -38.3 179.0 49.7 111.2 25.0 0 0.0 276 -3.0 0 0.0 0 0.0 8 46
273 A 277 THR T H H X TS+ 0 0 -69.0 -32.2 176.6 54.7 108.1 35.5 269 -2.2 277 -2.2 0 0.0 0 0.0 11 53
274 A 278 THR T H H X TS+ 0 0 -62.1 -51.6 177.9 42.2 112.7 15.7 270 -1.3 278 -2.4 0 0.0 0 0.0 13 65
275 A 279 TYR Y H H X TS+ 0 0 -60.1 -46.9 -180.0 51.7 113.8 20.9 271 -2.1 279 -2.3 0 0.0 0 0.0 11 57
276 A 280 ASN N H H < TS+ 0 0 -61.0 -35.9 176.3 50.1 110.2 31.6 272 -3.0 0 0.0 0 0.0 0 0.0 8 44
277 A 281 SER S H H < > TS+ 0 0 -67.2 -45.3 178.2 49.8 109.3 19.2 273 -2.2 280 -1.5 0 0.0 0 0.0 14 51
278 A 282 ILE I H H < > TS+ 0 0 -61.9 -34.7 -179.1 56.0 107.6 25.7 274 -2.4 281 -1.7 0 0.0 0 0.0 13 54
279 A 283 MET M T h < 3 TS+ 0 0 -77.4 -6.7 175.3 59.6 99.1 59.9 275 -2.3 0 0.0 0 0.0 0 0.0 9 37
280 A 284 LYS K T G < TS+ 0 0 -95.9 2.0 179.1 84.2 96.5 68.9 277 -1.5 0 0.0 0 0.0 0 0.0 8 34
281 A 285 CYS C S g < TS- 0 0 -102.7 163.8 -179.9 -75.6 99.5 131.5 278 -1.7 0 0.0 0 0.0 0 0.0 11 36
282 A 286 ASP D g > > T - 0 0 -55.3 132.9 -179.7 -126.5 40.9 103.5 0 0.0 285 -2.4 0 0.0 286 -0.8 7 29
283 A 287 ILE I G G 4 > TS+ 0 0 -51.6 -35.2 -177.5 63.3 106.9 32.3 0 0.0 286 -0.8 0 0.0 0 0.0 6 25
284 A 288 ASP D G G 4 3 TS+ 0 0 -72.0 -11.9 174.6 43.3 104.9 56.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22
285 A 289 ILE I G h > < TS+ 0 0 -108.7 -0.3 -176.3 91.2 87.6 59.6 282 -2.4 289 -1.7 0 0.0 0 0.0 9 35
286 A 290 ARG R H H X < TS+ 0 0 -63.7 -38.0 177.7 56.7 81.4 29.0 283 -0.8 290 -2.9 282 -0.8 0 0.0 11 43
287 A 291 LYS K H H > TS+ 0 0 -57.9 -38.6 176.9 49.9 107.4 22.0 0 0.0 291 -1.7 0 0.0 0 0.0 9 37
288 A 292 ASP D H H 4 TS+ 0 0 -68.0 -36.7 178.4 48.1 112.1 32.3 0 0.0 0 0.0 0 0.0 0 0.0 9 45
289 A 293 LEU L H H < > TS+ 0 0 -68.1 -45.6 -179.5 52.3 109.1 21.7 285 -1.7 292 -1.7 0 0.0 0 0.0 13 59
290 A 294 TYR Y H H < 3 TS+ 0 0 -59.7 -30.0 -179.2 47.1 111.4 32.0 286 -2.9 324 -2.2 0 0.0 0 0.0 14 57
291 A 295 ALA A T h < 3 TS+ 0 0 -91.8 1.5 -178.1 47.2 115.1 69.5 287 -1.7 0 0.0 0 0.0 0 0.0 11 45
292 A 296 ASN N e < T + 0 0 -138.3 57.4 178.0 153.8 63.4 112.3 289 -1.7 147 -2.5 0 0.0 294 -0.8 13 52
293 A 297 ASN N E E Cim - 147 325 -88.3 109.5 -176.2 -166.4 26.6 145.4 324 -2.2 326 -3.5 0 0.0 295 -0.5 14 68
294 A 298 VAL V E E Cim - 148 326 -105.9 127.2 176.6 -147.1 9.0 151.4 147 -2.2 149 -2.9 292 -0.8 0 0.0 13 70
295 A 299 MET M E E Ci + 149 0 -90.3 137.9 176.7 169.2 24.0 141.7 326 -2.8 0 0.0 293 -0.5 0 0.0 13 70
296 A 300 SER S E E Ci + 150 0 -145.0 154.3 175.0 50.6 27.1 169.8 149 -2.9 151 -2.3 0 0.0 0 0.0 19 68
297 A 301 GLY G S g > TS- 0 0 104.8 157.8 -175.8 -77.6 84.3 92.7 331 -2.5 300 -1.7 0 0.0 0 0.0 14 75
298 A 302 GLY G G G > TS+ 0 0 -61.2 -35.5 -176.2 59.4 123.6 34.4 0 0.0 301 -1.5 0 0.0 0 0.0 12 66
299 A 303 THR T G G 3 TS+ 0 0 -78.6 -1.7 170.4 62.8 96.8 57.6 151 -2.0 0 0.0 0 0.0 0 0.0 12 69
300 A 304 THR T G G < TS+ 0 0 -97.4 11.3 -177.1 92.8 78.1 67.0 297 -1.7 0 0.0 151 -0.6 0 0.0 13 68
301 A 305 MET M g < T + 0 0 -79.4 -11.7 -178.8 120.0 53.1 48.4 298 -1.5 0 0.0 0 0.0 0 0.0 9 54
302 A 306 TYR Y S t > TS- 0 0 -59.5 131.3 168.6 -114.2 70.9 103.1 0 0.0 305 -1.8 0 0.0 0 0.0 11 54
303 A 307 PRO P T T 3 TS+ 0 0 -54.8 138.5 178.4 28.2 102.9 109.1 0 0.0 215 -3.0 0 0.0 0 0.0 8 42
304 A 308 GLY G T h > 3 TS+ 0 0 93.5 -16.6 -175.3 111.5 85.2 75.2 0 0.0 308 -2.3 0 0.0 0 0.0 10 40
305 A 309 ILE I H H > < TS+ 0 0 -62.2 -41.7 -179.9 50.0 76.3 27.4 302 -1.8 309 -2.5 0 0.0 0 0.0 12 57
306 A 310 ALA A H H > TS+ 0 0 -64.8 -40.9 179.9 47.3 112.3 22.2 0 0.0 310 -2.7 0 0.0 0 0.0 10 49
307 A 311 ASP D H H > TS+ 0 0 -67.2 -37.9 178.0 48.8 112.9 29.1 0 0.0 311 -2.1 0 0.0 0 0.0 9 36
308 A 312 ARG R H H X TS+ 0 0 -66.3 -44.4 177.8 48.8 111.7 20.7 304 -2.3 312 -2.7 0 0.0 0 0.0 12 48
309 A 313 MET M H H X TS+ 0 0 -60.9 -40.2 176.4 53.2 109.6 23.2 305 -2.5 313 -2.8 0 0.0 0 0.0 10 59
310 A 314 GLN Q H H X TS+ 0 0 -58.7 -44.9 -179.2 46.0 111.9 18.8 306 -2.7 314 -2.4 0 0.0 0 0.0 11 45
311 A 315 LYS K H H X TS+ 0 0 -64.4 -46.9 -177.4 44.6 115.3 22.0 307 -2.1 315 -1.9 0 0.0 0 0.0 9 36
312 A 316 GLU E H H X TS+ 0 0 -68.5 -41.4 177.7 47.3 114.6 22.5 308 -2.7 316 -1.2 0 0.0 0 0.0 9 42
313 A 317 ILE I H H X > TS+ 0 0 -66.6 -39.6 176.9 54.5 109.5 23.1 309 -2.8 317 -2.5 0 0.0 316 -0.6 12 50
314 A 318 THR T H H < 3 TS+ 0 0 -58.7 -40.9 179.0 53.5 106.1 27.5 310 -2.4 0 0.0 0 0.0 0 0.0 11 37
315 A 319 ALA A H H < 3 TS+ 0 0 -65.4 -29.5 179.7 39.1 115.2 36.2 311 -1.9 0 0.0 0 0.0 0 0.0 6 29
316 A 320 LEU L H H < < TS+ 0 0 -90.0 -29.0 -175.7 77.2 104.4 39.5 312 -1.2 0 0.0 313 -0.6 0 0.0 7 33
317 A 321 ALA A S h < TS- 0 0 -83.6 160.6 174.9 -79.7 94.6 110.1 313 -2.5 0 0.0 0 0.0 0 0.0 8 37
318 A 322 PRO P t > T - 0 0 -51.9 145.9 -178.5 -112.5 46.3 102.7 0 0.0 321 -1.9 0 0.0 0 0.0 6 26
319 A 323 SER S T T 3 TS+ 0 0 -56.7 -30.1 -179.0 49.1 113.4 43.8 0 0.0 0 0.0 0 0.0 0 0.0 5 19
320 A 324 THR T T T 3 TS+ 0 0 -94.8 7.4 -178.5 120.4 83.7 66.5 0 0.0 0 0.0 0 0.0 0 0.0 4 16
321 A 325 MET M t < T - 0 0 -77.1 128.8 173.1 -135.3 61.4 123.3 318 -1.9 0 0.0 0 0.0 0 0.0 9 29
322 A 326 LYS K - 0 0 -78.4 120.3 -175.9 -168.1 27.3 135.8 0 0.0 0 0.0 0 0.0 0 0.0 7 29
323 A 327 ILE I + 0 0 -116.4 133.8 178.0 175.0 10.9 161.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39
324 A 328 LYS K e - 0 0 -141.9 131.1 176.1 -159.4 14.9 170.7 290 -2.2 293 -2.2 0 0.0 0 0.0 9 44
325 A 329 ILE I E E Cm - 293 0 -109.4 127.9 178.5 -159.8 8.8 159.4 0 0.0 327 -0.5 0 0.0 0 0.0 13 53
326 A 330 ILE I E E Cm + 294 0 -109.2 120.7 -178.9 174.7 13.5 162.8 293 -3.5 295 -2.8 0 0.0 0 0.0 9 50
327 A 331 ALA A - 0 0 -130.2 87.2 -176.0 -153.1 19.1 136.5 325 -0.5 0 0.0 0 0.0 0 0.0 9 48
328 A 332 PRO P t > T - 0 0 -61.5 146.0 177.6 -125.2 19.7 101.0 0 0.0 331 -2.0 0 0.0 0 0.0 8 46
329 A 333 PRO P T T 3 TS+ 0 0 -59.0 -32.7 -177.8 49.3 111.2 32.1 0 0.0 0 0.0 0 0.0 0 0.0 5 33
330 A 334 GLU E T g > TS+ 0 0 -94.1 17.5 -177.1 122.0 73.9 77.7 0 0.0 333 -2.3 0 0.0 0 0.0 6 40
331 A 335 ARG R G G X T + 0 0 -63.1 -15.5 171.0 72.8 57.4 48.1 328 -2.0 297 -2.5 0 0.0 334 -0.8 15 51
332 A 336 LYS K G G 3 TS+ 0 0 -62.0 -27.9 -179.3 24.1 117.0 41.6 0 0.0 0 0.0 0 0.0 0 0.0 11 58
333 A 337 TYR Y G h > < TS+ 0 0 -122.2 20.8 -174.9 117.2 86.3 79.7 330 -2.3 337 -2.8 0 0.0 0 0.0 13 61
334 A 338 SER S H H > < TS+ 0 0 -68.0 -28.3 174.8 55.1 75.6 31.2 331 -0.8 338 -2.9 0 0.0 0 0.0 14 63
335 A 339 VAL V H H > TS+ 0 0 -61.6 -48.4 -178.8 42.8 112.6 15.6 0 0.0 339 -2.0 0 0.0 0 0.0 15 76
336 A 340 TRP W H H > TS+ 0 0 -61.8 -43.9 -179.4 51.9 114.0 21.1 0 0.0 340 -2.6 0 0.0 0 0.0 16 64
337 A 341 ILE I H H X TS+ 0 0 -60.6 -43.3 177.5 51.3 107.5 21.8 333 -2.8 341 -2.7 0 0.0 0 0.0 14 58
338 A 342 GLY G H H X TS+ 0 0 -59.6 -41.0 177.0 48.9 111.3 25.8 334 -2.9 342 -2.2 0 0.0 0 0.0 13 61
339 A 343 GLY G H H X TS+ 0 0 -61.5 -45.7 178.0 52.1 109.7 25.2 335 -2.0 343 -2.8 0 0.0 0 0.0 14 67
340 A 344 SER S H H X TS+ 0 0 -57.1 -42.5 -178.3 48.7 109.9 24.1 336 -2.6 344 -1.5 0 0.0 0 0.0 14 59
341 A 345 ILE I H H < TS+ 0 0 -64.4 -44.5 -177.6 44.0 115.5 12.9 337 -2.7 0 0.0 0 0.0 0 0.0 11 54
342 A 346 LEU L H H < > TS+ 0 0 -66.0 -49.5 -179.6 48.9 113.5 16.3 338 -2.2 345 -1.7 0 0.0 0 0.0 7 55
343 A 347 ALA A H H < 3 TS+ 0 0 -68.9 -16.8 178.0 58.6 105.5 43.6 339 -2.8 0 0.0 0 0.0 0 0.0 13 56
344 A 348 A SER S T h < 3 TS+ 0 0 -91.4 0.7 -179.8 101.1 77.0 64.4 340 -1.5 346 -1.7 0 0.0 0 0.0 9 43
345 A 349 LEU L g X T + 0 0 -88.7 80.9 -179.0 171.9 44.8 124.7 342 -1.7 348 -1.8 0 0.0 0 0.0 8 33
346 A 350 SER S G G > TS+ 0 0 -65.6 -19.4 169.8 72.0 70.1 44.3 344 -1.7 349 -1.8 0 0.0 0 0.0 6 30
347 A 351 THR T G G 3 TS+ 0 0 -60.4 -29.5 177.3 47.6 101.4 33.3 0 0.0 0 0.0 0 0.0 0 0.0 5 16
348 A 352 PHE F G G X TS+ 0 0 -99.6 29.6 -178.6 127.2 73.1 85.4 345 -1.8 351 -2.6 0 0.0 0 0.0 7 25
349 A 353 GLN Q G G X T + 0 0 -62.4 -23.8 175.2 69.5 62.1 37.2 346 -1.8 352 -1.4 0 0.0 0 0.0 7 32
350 A 354 GLN Q G G 3 TS+ 0 0 -65.9 -18.5 178.0 70.0 85.6 42.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
351 A 355 MET M G G < TS+ 0 0 -72.1 -18.8 176.4 96.5 77.5 43.1 348 -2.6 0 0.0 0 0.0 0 0.0 6 34
352 A 356 TRP W S g < TS- 0 0 -61.3 150.1 171.4 -126.1 81.6 115.4 349 -1.4 354 -0.6 0 0.0 0 0.0 10 49
353 A 357 ILE I E E AG - 128 0 -93.1 115.4 -178.7 -150.7 31.5 150.8 128 -3.0 128 -2.2 0 0.0 0 0.0 12 49
354 A 358 THR T E E >AG T - 127 0 -85.6 165.5 176.8 -110.0 24.9 118.8 352 -0.6 358 -2.3 0 0.0 0 0.0 9 46
355 A 359 LYS K H H > TS+ 0 0 -60.0 -36.0 177.7 53.5 120.1 25.6 126 -2.2 359 -2.1 0 0.0 0 0.0 10 41
356 A 360 GLN Q H H > TS+ 0 0 -66.9 -39.3 178.6 49.7 107.8 25.7 0 0.0 360 -1.9 0 0.0 0 0.0 6 30
357 A 361 GLU E H H > TS+ 0 0 -64.7 -39.4 178.7 49.7 110.7 22.1 0 0.0 361 -2.7 0 0.0 0 0.0 9 31
358 A 362 TYR Y H H X TS+ 0 0 -64.2 -41.0 179.8 50.4 110.3 26.1 354 -2.3 362 -2.0 0 0.0 0 0.0 11 36
359 A 363 ASP D H H < TS+ 0 0 -65.3 -35.7 -178.7 40.6 117.2 30.9 355 -2.1 0 0.0 0 0.0 0 0.0 7 26
360 A 364 GLU E H H < TS+ 0 0 -84.4 -31.4 -175.4 32.8 124.4 35.8 356 -1.9 0 0.0 0 0.0 0 0.0 6 17
361 A 365 ALA A H H < TS- 0 0 -103.4 -19.7 -178.2 -138.8 95.3 47.9 357 -2.7 0 0.0 0 0.0 0 0.0 8 21
362 A 366 GLY G h < > T - 0 0 93.2 -169.0 -178.1 -44.0 47.8 115.9 358 -2.0 365 -0.8 0 0.0 0 0.0 7 29
363 A 367 PRO P G G > TS+ 0 0 -74.3 -24.0 179.5 74.2 122.4 42.1 0 0.0 366 -1.4 0 0.0 0 0.0 9 33
364 A 368 SER S G G > TS+ 0 0 -64.3 -17.9 -178.4 79.6 79.4 44.3 0 0.0 367 -1.1 0 0.0 0 0.0 7 27
365 A 369 ILE I G G < TS+ 0 0 -66.1 -19.4 -176.3 66.3 77.5 50.3 362 -0.8 0 0.0 0 0.0 0 0.0 10 34
366 A 370 VAL V G G < TS+ 0 0 -82.9 -9.5 179.1 83.3 89.6 51.2 363 -1.4 0 0.0 0 0.0 0 0.0 11 43
367 A 371 HIS H g < T 0 0 -92.5 154.9 171.2 999.9 999.9 124.0 364 -1.1 0 0.0 0 0.0 0 0.0 5 37
368 A 372 ARG R 0 0 41.4 999.9 999.9 999.9 999.9 32.1 0 0.0 0 0.0 0 0.0 0 0.0 3 29
1j6zA.pdb
1J6Z CONTRACTILE PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand EEEEE SSEEEEEETTSSS SEEEE EEE SSHHHHHHTTS S EETHHHHHTBTTBEEE TT HHHHHHHHHHHHHTTS GGGS EE Kabs/Sand
chirality +--------++--++--++-+--+++--+-----+-++++++--+-----++++++++++-----+ -++-+++++++++++++++-+--+++---- chirality
bends SS SSSSS S SSSSSSSSS S S SSSSSSS SSS S SSSSSSSSSSSSSSSS SSSS bends
turns TTTT TTTTTTTTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTT TTTTT turns
5-turns >5555< >>555<< 5-turns
3-turns >33< >33< >33<>>3X<3< >33< >>3<< 3-turns
bridge-2 BBBBB CCCC EE ff bridge-2
bridge-1 aaa BBBBB CCCC DDD EE a aDDD aa bridge-1
sheets AAAAA AAAAAA AAAA BBB BB BBB AA sheets
4-turns >>>><<<< >>>4<>>>XXXXXXX<<<< 4-turns
summary eEEEEEeSeEEEEEEeTtSS SEEEEeeEEE ShHHHHHHhTt S EEhHHHHHhBTTBEEEtTTt hHHHHHHHHHHHHHhTt gGGGgeEE summary
sequence ETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMGQKDSYVGDEAQSKRGILTLKYPIEGIITNWDDMEKIWHHTFYNELRVAPEEHPTL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEE TT HHHHHHHHHHHHHTS SEEEEEEHHHHHHHHTT SSEEEEEE SS EEEEEEETTEE GGG EEES HHHHHHHHHHHHHTTT SHH Kabs/Sand
chirality ----++--++++++++++++++----------++++++++-+-++----++-++---------+---+++----++-++++++++++++++-+-+++-++ chirality
bends SS SSSSSSSSSSSSSSS S SSSSSSSSSS SS SS SSS SSS S SSSSSSSSSSSSSSSS SSS bends
turns TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTT TTTT TTTTT TTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33<>33< >>3<< >33< >>3<< >33< >>3<< 3-turns
bridge-2 fff GG iiii JJJ KK bridge-2
bridge-1 a fffff HHHHHH HHHHHH KK JJJ bridge-1
sheets AAA AAAAAA CCCCCC CCCCCCC CC CCC sheets
4-turns >>>>XXXXXXX<<<< >>>>XX<<<< >>>>XXXXXXX<<<< >>> 4-turns
summary EEEtTTthHHHHHHHHHHHHHht eEEEEEEHHHHHHHHhTtSSEEEEEEeSSeEEEEEEETTEEeGGGgEEES hHHHHHHHHHHHHHhTTt hHH summary
sequence LTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTA sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHH SSHHHHHHHHTT SSS EEEE TTS EEEESTHHHHHHHTTT GGGGT S HHHHHHHHHTTS GGGHHHHHT EEEESGGG Kabs/Sand
chirality +++++++++++++---+-++++++++++-+++------+-+----+++++++++++++++++-+-+---+++++++++++--++++++++++--++-+++ chirality
bends SSSSSSSSSSSS SSSSSSSSSSSS SSS SSS SSSSSSSSSSSS SSSSS S SSSSSSSSSSSS SSSSSSSSS SSSS bends
turns TTTTTTTTTTTTT TTTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >>3<< >>><<<>>><<< >>3<<>>3<< >33< >>3< 3-turns
bridge-2 mm bridge-2
bridge-1 LLLL LLLL iiii bridge-1
sheets DDDD DDDD CCCC sheets
4-turns >XXXXXXXX<<<< >>>>XX>4>X<4X<44< >>>>XXX<<<< >44>X>4<<< 4-turns
summary HHHHHHHHHHHHh ShHHHHHHHHhTtSSS EEEEeTTteEEEEthHHHHHHHhGggGGGGgt S hHHHHHHHHHhGggGGhHHHHHheEEEEgGGG summary
sequence EREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTT sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand STTHHHHHHHHHHHHS TT EE TTGGGHHHHHHHHHHT GGGGGGSEEHHHHHHH GGGG Kabs/Sand
chirality +-++++++++++++++--++--+--+--+++++++++++++++++++++++---++++++--++++ chirality
bends SSSSSSSSSSSSSSSS SS SS SSSSSSSSSSSSS SSS SSS SSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns <>33< >33< >33< >3>X3<< >33X>3XX3<< >>><<< 3-turns
bridge-2 bridge-2
bridge-1 mm GG bridge-1
sheets CC AA sheets
4-turns >>>>XXXXXX<<<< >>>>XXXX<<<< >>>>X<<<< 4-turns
summary gtThHHHHHHHHHHHHhtTTt eEE tTgGGhHHHHHHHHHHhgGGGGGGgEEHHHHHHHhGGGGg summary
sequence MYPGIADRMQKEITALAPSTMKIKIIAPPERKYSVWIGGSILASLSTFQQMWITKQEYDEAGPSIVHR sequence
310 320 330 340 350 360
Messages
chain break between 69(A 72 ) and 70(A 74 )