Secondary structure calculation program - copyright by David Keith Smith, 1989
1cvl-.pdb
1CVL HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 316
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 1 ALA A 0 0 999.9 146.4 179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 5 16
2 2 ASP D - 0 0 -139.3 -163.3 179.9 -109.0 999.9 135.9 39 -1.6 0 0.0 0 0.0 0 0.0 7 20
3 3 THR T S t > TS+ 0 0 -124.7 24.2 -179.8 122.1 70.8 86.6 0 0.0 6 -1.8 0 0.0 0 0.0 8 31
4 4 TYR Y T T 3 TS+ 0 0 -51.8 -40.2 -176.9 31.7 88.5 33.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35
5 5 ALA A T T 3 TS+ 0 0 -107.7 21.8 -178.4 131.6 83.6 86.9 40 -3.0 7 -1.7 0 0.0 0 0.0 15 42
6 6 ALA A t < T - 0 0 -77.4 82.6 178.3 -176.8 36.7 123.1 3 -1.8 0 0.0 0 0.0 0 0.0 12 39
7 7 THR T - 0 0 -75.7 162.2 178.2 -120.8 34.7 112.9 5 -1.7 0 0.0 0 0.0 0 0.0 14 46
8 8 ARG R S S S+ 0 0 -67.9 -44.0 178.9 44.9 98.0 26.7 316 -2.7 0 0.0 0 0.0 0 0.0 7 40
9 9 TYR Y S S S- 0 0 -104.5 147.6 -179.6 -94.9 99.8 144.8 0 0.0 0 0.0 0 0.0 0 0.0 11 49
10 10 PRO P e - 0 0 -57.9 150.8 179.3 -126.0 35.6 96.9 0 0.0 82 -2.9 0 0.0 12 -0.5 13 51
11 11 VAL V E E Aab - 82 44 -102.3 126.7 176.4 -163.6 19.6 154.1 43 -2.8 45 -2.5 0 0.0 13 -0.5 13 68
12 12 ILE I E E Aab - 83 45 -112.2 123.7 176.9 -151.0 7.9 167.2 82 -3.0 84 -2.8 10 -0.5 0 0.0 12 70
13 13 LEU L E E Aab - 84 46 -91.3 127.0 -175.9 -161.2 12.1 144.7 45 -2.4 47 -2.6 11 -0.5 15 -0.6 11 73
14 14 VAL V E E Aa - 85 0 -118.8 105.8 -179.8 -152.6 6.4 158.2 84 -2.9 86 -2.3 0 0.0 0 0.0 15 67
15 15 HIS H - 0 0 -70.5 166.8 175.8 -161.6 6.7 100.9 13 -0.6 0 0.0 0 0.0 0 0.0 17 65
16 16 GLY G t > T + 0 0 -120.2 -150.1 177.2 65.8 46.6 101.6 0 0.0 19 -0.5 0 0.0 0 0.0 11 74
17 17 LEU L T T 3 TS- 0 0 59.9 -160.0 -170.8 -18.8 105.3 92.0 0 0.0 0 0.0 0 0.0 0 0.0 8 79
18 18 ALA A T T 3 TS- 0 0 -55.2 -32.7 178.8 -73.2 106.6 46.9 0 0.0 51 -0.5 0 0.0 0 0.0 13 57
19 19 GLY G B B A < TS+ 50 0 143.1 152.0 -178.2 42.5 82.1 122.8 16 -0.5 0 0.0 0 0.0 0 0.0 13 60
20 20 THR T S S S- 0 0 70.1 174.8 -173.5 -83.2 84.1 84.1 49 -3.3 0 0.0 0 0.0 0 0.0 11 47
21 21 ASP D S e S+ 0 0 -99.1 20.5 -178.9 75.1 103.5 85.9 0 0.0 29 -2.4 0 0.0 0 0.0 12 50
22 22 LYS K E E BC - 28 0 -137.9 153.5 175.7 -136.0 69.1 161.6 0 0.0 0 0.0 0 0.0 0 0.0 11 45
23 23 PHE F E E >BC > TS- 27 0 -103.9 129.3 179.4 -6.2 96.5 158.6 27 -2.9 27 -2.7 0 0.0 26 -1.9 12 46
24 24 ALA A T T 4 3 TS- 0 0 55.3 32.1 -179.8 -76.1 121.1 36.7 149 -2.0 0 0.0 0 0.0 0 0.0 10 35
25 25 ASN N T T 4 3 TS+ 0 0 62.5 4.6 -176.4 57.7 130.5 61.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31
26 26 VAL V T T 4 < TS+ 0 0 -134.2 -27.3 -179.5 79.2 81.1 48.0 23 -1.9 0 0.0 0 0.0 0 0.0 6 23
27 27 VAL V E E > TS- 0 0 -84.3 77.5 -172.5 -145.3 98.2 131.1 0 0.0 33 -1.4 0 0.0 34 -0.8 11 60
31 31 TYR Y T T 4 3 T - 0 0 -58.2 116.7 178.0 -22.6 67.9 106.3 29 -1.8 0 0.0 286 -1.1 0 0.0 13 48
32 32 GLY G T h > 3 TS+ 0 0 68.3 2.0 -176.6 109.1 109.3 67.5 0 0.0 36 -1.2 0 0.0 0 0.0 10 40
33 33 ILE I H H > < T + 0 0 -77.2 -44.4 -178.4 53.2 69.4 25.3 30 -1.4 37 -2.7 0 0.0 0 0.0 8 53
34 34 GLN Q H H X TS+ 0 0 -59.7 -47.7 -177.1 45.6 111.0 22.5 30 -0.8 38 -2.5 0 0.0 0 0.0 9 48
35 35 SER S H H > TS+ 0 0 -65.9 -36.8 179.6 51.9 113.1 25.6 0 0.0 39 -2.0 0 0.0 0 0.0 7 37
36 36 ASP D H H X TS+ 0 0 -61.2 -57.0 -177.4 42.9 112.6 14.9 32 -1.2 40 -0.7 0 0.0 0 0.0 10 39
37 37 LEU L H H < >>TS+ 0 0 -58.5 -41.3 -178.9 53.4 113.0 25.1 33 -2.7 42 -2.2 0 0.0 40 -1.1 13 46
38 38 GLN Q H H < >5TS+ 0 0 -62.8 -36.3 179.2 56.4 103.0 33.1 34 -2.5 41 -1.6 0 0.0 0 0.0 11 38
39 39 SER S H H < 35TS+ 0 0 -67.0 -17.4 179.8 53.3 106.7 48.8 35 -2.0 2 -1.6 0 0.0 0 0.0 9 28
40 40 HIS H T h < <5TS- 0 0 -104.4 20.3 174.5 -96.5 128.4 84.0 37 -1.1 5 -3.0 36 -0.7 0 0.0 12 34
41 41 GLY G T T <5TS+ 0 0 84.5 4.3 -179.9 140.9 75.6 61.4 38 -1.6 0 0.0 0 0.0 0 0.0 12 34
42 42 ALA A t T - 0 0 -56.6 146.0 -179.2 -118.9 48.3 99.7 0 0.0 57 -2.2 0 0.0 0 0.0 8 51
55 55 ASP D T T 3 TS+ 0 0 -56.1 -26.9 -178.4 50.7 113.7 42.4 0 0.0 62 -1.9 0 0.0 63 -0.5 11 61
56 56 ASP D T T 3 TS+ 0 0 -95.0 3.7 -178.9 114.6 85.3 63.8 0 0.0 0 0.0 0 0.0 0 0.0 9 44
57 57 GLY G S t X TS- 0 0 -70.8 165.5 179.5 -73.1 84.2 95.4 54 -2.2 60 -2.6 0 0.0 0 0.0 10 31
58 58 PRO P T T 3 TS- 0 0 -56.3 126.9 -178.6 -1.5 122.6 112.6 0 0.0 0 0.0 0 0.0 0 0.0 5 22
59 59 ASN N T T 3 TS+ 0 0 60.9 23.0 -179.7 145.9 105.6 43.1 0 0.0 0 0.0 0 0.0 0 0.0 7 23
60 60 GLY G S h > < TS- 0 0 -78.0 -177.2 -179.3 -82.7 70.4 95.2 57 -2.6 64 -2.1 0 0.0 0 0.0 13 40
61 61 ARG R H H > TS+ 0 0 -60.8 -32.8 -179.0 58.6 127.4 35.5 0 0.0 65 -2.5 0 0.0 0 0.0 14 52
62 62 GLY G H H > TS+ 0 0 -62.8 -49.6 -179.3 42.7 108.9 19.7 55 -1.9 66 -2.9 0 0.0 0 0.0 14 54
63 63 GLU E H H > TS+ 0 0 -65.3 -35.2 178.5 54.0 113.2 25.1 55 -0.5 67 -2.3 0 0.0 0 0.0 13 38
64 64 GLN Q H H X TS+ 0 0 -63.6 -44.0 -178.4 45.9 110.5 22.6 60 -2.1 68 -2.1 0 0.0 0 0.0 10 45
65 65 LEU L H H X TS+ 0 0 -66.3 -44.3 178.6 53.4 110.4 21.9 61 -2.5 69 -3.1 0 0.0 0 0.0 13 59
66 66 LEU L H H X TS+ 0 0 -57.2 -43.2 178.8 48.7 109.2 21.3 62 -2.9 70 -2.3 0 0.0 0 0.0 10 52
67 67 ALA A H H X TS+ 0 0 -61.2 -42.6 179.4 49.1 112.4 20.4 63 -2.3 71 -1.8 0 0.0 0 0.0 8 40
68 68 TYR Y H H X TS+ 0 0 -61.3 -45.2 178.9 53.6 107.9 24.4 64 -2.1 72 -2.5 0 0.0 0 0.0 9 48
69 69 VAL V H H X TS+ 0 0 -57.2 -45.8 177.5 50.9 108.1 24.7 65 -3.1 73 -2.4 0 0.0 0 0.0 9 54
70 70 LYS K H H X TS+ 0 0 -62.7 -38.6 177.5 50.1 109.2 26.6 66 -2.3 74 -2.5 0 0.0 0 0.0 8 38
71 71 GLN Q H H X TS+ 0 0 -64.5 -43.2 179.6 50.4 110.4 25.3 67 -1.8 75 -2.1 0 0.0 0 0.0 8 30
72 72 VAL V H H X TS+ 0 0 -58.9 -47.8 -179.9 45.0 113.6 21.3 68 -2.5 76 -2.3 0 0.0 0 0.0 9 34
73 73 LEU L H H X TS+ 0 0 -61.5 -46.3 -178.6 51.0 112.6 23.3 69 -2.4 77 -2.7 0 0.0 0 0.0 12 35
74 74 ALA A H H < TS+ 0 0 -63.1 -37.6 -178.8 43.2 114.8 29.8 70 -2.5 0 0.0 0 0.0 0 0.0 8 19
75 75 ALA A H H < TS+ 0 0 -77.6 -34.8 -175.3 38.2 121.4 33.1 71 -2.1 0 0.0 0 0.0 0 0.0 6 22
76 76 THR T H H < TS- 0 0 -91.5 -23.2 -178.4 -130.3 94.8 49.5 72 -2.3 0 0.0 0 0.0 0 0.0 6 25
77 77 GLY G h < T + 0 0 83.5 3.8 179.2 137.7 63.5 60.9 73 -2.7 0 0.0 0 0.0 0 0.0 6 18
78 78 ALA A - 0 0 -79.0 159.6 179.8 -148.0 49.6 115.9 0 0.0 0 0.0 0 0.0 0 0.0 9 31
79 79 THR T S S S+ 0 0 -104.4 -16.0 -178.8 19.4 72.3 50.8 0 0.0 0 0.0 0 0.0 0 0.0 7 36
80 80 LYS K - 0 0 -147.0 165.4 179.4 -146.2 63.0 159.4 0 0.0 0 0.0 0 0.0 0 0.0 11 52
81 81 VAL V E E A d - 0 104 -132.7 163.6 174.5 -126.2 16.7 156.0 103 -1.7 105 -3.2 0 0.0 106 -1.0 15 61
82 82 ASN N E E Aad - 11 106 -106.6 123.4 178.8 -151.7 28.7 160.7 10 -2.9 12 -3.0 0 0.0 0 0.0 13 73
83 83 LEU L E E Aad - 12 107 -102.6 131.7 175.4 -177.8 15.0 148.4 106 -2.5 108 -2.5 0 0.0 0 0.0 14 75
84 84 ILE I E E Aad - 13 108 -124.7 115.9 -178.4 -178.6 12.9 165.3 12 -2.8 14 -2.9 0 0.0 0 0.0 15 81
85 85 GLY G E E Aad - 14 109 -118.4 150.8 174.5 -153.7 16.5 150.6 108 -2.7 110 -3.1 0 0.0 0 0.0 19 72
86 86 HIS H E E A d> T - 0 110 -116.5 141.3 176.0 -30.9 64.5 161.6 14 -2.3 89 -2.3 0 0.0 0 0.0 14 74
87 87 SER S T e > TS+ 0 0 55.5 -129.7 178.2 1.1 139.6 105.8 110 -2.3 90 -2.1 0 0.0 0 0.0 14 74
88 88 GLN Q T h > > TS+ 0 0 -57.9 -24.7 -178.2 76.7 123.0 37.4 0 0.0 92 -2.2 0 0.0 91 -1.4 13 79
89 89 GLY G H H > < TS+ 0 0 -59.1 -22.9 177.9 59.8 87.7 41.4 86 -2.3 93 -2.1 0 0.0 0 0.0 14 77
90 90 GLY G H H > < TS+ 0 0 -72.3 -32.6 177.6 46.0 106.0 37.3 87 -2.1 94 -1.3 0 0.0 0 0.0 17 73
91 91 LEU L H H > < TS+ 0 0 -72.1 -40.9 179.9 51.4 112.4 28.4 88 -1.4 95 -1.6 0 0.0 0 0.0 12 79
92 92 THR T H H X TS+ 0 0 -61.3 -44.5 179.8 50.7 108.6 25.2 88 -2.2 96 -1.5 0 0.0 0 0.0 14 77
93 93 SER S H H X TS+ 0 0 -60.9 -40.5 179.8 57.9 104.8 29.0 89 -2.1 97 -2.2 0 0.0 0 0.0 15 73
94 94 ARG R H H X TS+ 0 0 -57.9 -42.5 -179.8 56.7 101.6 30.7 90 -1.3 98 -1.6 0 0.0 0 0.0 10 78
95 95 TYR Y H H X TS+ 0 0 -57.1 -49.3 -178.7 45.4 108.6 18.2 91 -1.6 99 -2.9 0 0.0 0 0.0 12 65
96 96 VAL V H H X TS+ 0 0 -61.8 -42.5 -180.0 51.6 111.3 24.3 92 -1.5 100 -2.3 0 0.0 0 0.0 14 66
97 97 ALA A H H < TS+ 0 0 -65.1 -28.8 179.7 46.3 114.2 38.5 93 -2.2 0 0.0 0 0.0 0 0.0 11 64
98 98 ALA A H H < TS+ 0 0 -80.8 -46.1 -176.6 34.2 120.1 25.1 94 -1.6 0 0.0 0 0.0 0 0.0 9 51
99 99 VAL V H H < TS+ 0 0 -85.4 -23.7 -179.3 25.7 133.1 43.1 95 -2.9 0 0.0 0 0.0 0 0.0 6 45
100 100 ALA A h < > T + 0 0 -134.1 60.9 -176.8 161.8 69.6 114.7 96 -2.3 103 -2.0 0 0.0 0 0.0 9 42
101 101 PRO P G T > TS+ 0 0 -55.2 -30.6 -178.6 62.9 70.6 38.3 0 0.0 104 -1.2 0 0.0 0 0.0 11 43
102 102 GLN Q G T 3 TS+ 0 0 -72.6 -15.6 -178.7 55.7 98.4 46.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
103 103 LEU L G e < TS+ 0 0 -95.5 -1.2 -175.2 78.0 96.6 62.7 100 -2.0 81 -1.7 0 0.0 0 0.0 9 50
104 104 VAL V E E Ad < T + 81 0 -117.8 132.8 177.3 176.0 42.8 160.1 101 -1.2 0 0.0 0 0.0 0 0.0 14 59
105 105 ALA A E E A* S- 0 0 -97.7 -36.1 179.5 -4.2 74.0 42.1 81 -3.2 205 -2.2 0 0.0 0 0.0 14 56
106 106 SER S E E Ade - 82 205 -154.1 159.9 176.7 -148.4 52.5 173.2 81 -1.0 83 -2.5 0 0.0 0 0.0 12 66
107 107 VAL V E E Ade - 83 206 -133.1 120.0 177.4 -177.7 16.0 173.3 205 -2.4 207 -2.4 0 0.0 0 0.0 16 79
108 108 THR T E E Ade - 84 207 -118.1 129.5 177.3 -163.0 7.3 169.2 83 -2.5 85 -2.7 0 0.0 0 0.0 11 75
109 109 THR T E E Ade - 85 208 -115.4 135.1 176.3 -161.1 3.4 166.8 207 -2.0 209 -1.7 0 0.0 111 -0.6 15 74
110 110 ILE I E E Ade S- 86 209 -113.6 116.0 179.1 -22.0 76.8 162.7 85 -3.1 87 -2.3 0 0.0 0 0.0 14 78
111 111 GLY G S e S+ 0 0 54.0 45.7 178.0 167.5 87.8 28.0 209 -2.5 0 0.0 109 -0.6 0 0.0 15 76
112 112 THR T - 0 0 -93.8 129.8 179.0 -137.0 38.6 143.0 0 0.0 114 -2.2 0 0.0 0 0.0 16 78
113 113 PRO P t > T + 0 0 -80.4 70.4 -178.8 165.1 35.6 117.5 0 0.0 116 -2.0 0 0.0 0 0.0 13 78
114 114 HIS H T T 3 TS+ 0 0 -57.9 -31.6 179.0 35.7 81.9 36.1 112 -2.2 0 0.0 267 -1.3 0 0.0 12 77
115 115 ARG R T T 3 TS- 0 0 -108.7 20.1 177.4 -94.7 125.8 85.5 0 0.0 0 0.0 0 0.0 0 0.0 9 65
116 116 GLY G t < T - 0 0 96.7 169.5 177.9 -87.0 34.5 93.8 113 -2.0 0 0.0 0 0.0 0 0.0 15 65
117 117 SER S h > T - 0 0 -119.9 127.7 175.9 -150.7 16.9 166.5 167 -2.7 121 -1.9 0 0.0 0 0.0 14 65
118 118 GLU E H H > TS+ 0 0 -66.3 -25.2 177.5 55.7 102.3 38.7 0 0.0 122 -2.2 0 0.0 0 0.0 14 56
119 119 PHE F H H > TS+ 0 0 -72.7 -45.9 175.9 49.8 105.5 23.0 0 0.0 123 -2.6 0 0.0 0 0.0 11 68
120 120 ALA A H H > TS+ 0 0 -54.9 -41.4 178.6 50.0 112.2 24.9 0 0.0 124 -2.2 0 0.0 0 0.0 14 65
121 121 ASP D H H X TS+ 0 0 -62.0 -47.0 179.3 52.0 108.7 23.6 117 -1.9 125 -2.4 0 0.0 0 0.0 10 48
122 122 PHE F H H X TS+ 0 0 -57.4 -48.6 179.2 48.8 109.2 23.4 118 -2.2 126 -2.4 0 0.0 0 0.0 9 52
123 123 VAL V H H X TS+ 0 0 -58.5 -46.4 179.5 52.0 110.0 24.8 119 -2.6 127 -2.4 0 0.0 0 0.0 11 52
124 124 GLN Q H H X TS+ 0 0 -59.5 -45.0 177.1 49.4 110.4 22.6 120 -2.2 128 -0.5 0 0.0 0 0.0 10 40
125 125 ASP D H H < > TS+ 0 0 -57.1 -49.3 -178.2 47.7 112.1 25.7 121 -2.4 128 -0.9 0 0.0 0 0.0 8 33
126 126 VAL V H H X > TS+ 0 0 -64.5 -40.4 -178.5 55.4 105.8 31.5 122 -2.4 130 -3.2 0 0.0 129 -1.8 10 33
127 127 LEU L H H < 3 TS+ 0 0 -69.4 -10.4 -179.7 71.3 94.7 53.3 123 -2.4 0 0.0 0 0.0 0 0.0 10 29
128 128 LYS K T h < < TS+ 0 0 -75.3 -19.3 -177.4 15.6 119.8 51.0 125 -0.9 0 0.0 124 -0.5 0 0.0 7 19
129 129 THR T T T 4 < TS+ 0 0 -126.5 -31.6 178.6 38.1 136.7 53.5 126 -1.8 0 0.0 0 0.0 0 0.0 6 16
130 130 ASP D t < > T - 0 0 -128.6 90.5 -176.3 -166.7 65.9 152.8 126 -3.2 133 -1.7 0 0.0 0 0.0 9 20
131 131 PRO P T T 3 TS+ 0 0 -61.3 3.4 -178.8 56.4 88.1 69.9 0 0.0 0 0.0 0 0.0 0 0.0 7 21
132 132 THR T T T 3 TS- 0 0 -107.4 -28.8 -178.2 -145.7 90.1 52.8 0 0.0 0 0.0 0 0.0 0 0.0 6 30
133 133 GLY G t X T + 0 0 83.1 -27.5 -177.8 110.8 69.4 90.6 130 -1.7 136 -1.4 0 0.0 0 0.0 11 35
134 134 LEU L T T 3 T + 0 0 -58.2 -16.0 174.0 79.4 51.8 57.4 0 0.0 0 0.0 0 0.0 0 0.0 8 29
135 135 SER S T T 3 TS+ 0 0 -63.5 -9.1 179.9 74.8 89.1 62.8 0 0.0 137 -0.6 0 0.0 0 0.0 7 22
136 136 SER S h > < T - 0 0 -113.2 119.0 179.6 -161.1 69.8 160.8 133 -1.4 140 -2.9 0 0.0 0 0.0 7 33
137 137 THR T H H > TS+ 0 0 -66.1 -32.0 178.4 55.9 94.8 31.5 135 -0.6 141 -2.3 0 0.0 0 0.0 7 30
138 138 VAL V H H > TS+ 0 0 -64.1 -46.3 180.0 45.5 109.2 23.0 0 0.0 142 -2.8 0 0.0 0 0.0 9 50
139 139 ILE I H H > TS+ 0 0 -62.5 -44.8 178.6 53.4 111.2 21.4 0 0.0 143 -3.1 0 0.0 0 0.0 11 51
140 140 ALA A H H X TS+ 0 0 -54.2 -47.1 178.9 46.1 111.2 22.0 136 -2.9 144 -2.9 0 0.0 0 0.0 11 39
141 141 ALA A H H X TS+ 0 0 -60.5 -46.1 178.2 50.3 112.3 22.3 137 -2.3 145 -2.4 0 0.0 0 0.0 9 40
142 142 PHE F H H X TS+ 0 0 -56.4 -48.2 179.7 45.5 113.6 18.5 138 -2.8 146 -2.9 0 0.0 0 0.0 12 54
143 143 VAL V H H X TS+ 0 0 -61.3 -47.7 -178.3 54.4 110.0 20.4 139 -3.1 147 -2.9 0 0.0 0 0.0 12 48
144 144 ASN N H H X TS+ 0 0 -54.3 -47.0 179.8 33.9 118.8 18.8 140 -2.9 148 -0.7 0 0.0 0 0.0 9 36
145 145 VAL V H H < > TS+ 0 0 -73.8 -56.2 -177.4 40.5 123.4 14.6 141 -2.4 148 -0.7 0 0.0 0 0.0 11 46
146 146 PHE F H H X > TS+ 0 0 -69.2 -24.3 176.3 67.3 105.1 34.7 142 -2.9 149 -1.4 0 0.0 150 -0.6 11 54
147 147 GLY G H H < > TS+ 0 0 -61.8 -31.0 -179.7 58.0 95.3 32.0 143 -2.9 150 -1.0 0 0.0 0 0.0 13 40
148 148 THR T T h < < TS+ 0 0 -72.1 -17.1 179.9 56.3 101.7 44.0 144 -0.7 0 0.0 145 -0.7 0 0.0 9 40
149 149 LEU L T T 4 < TS+ 0 0 -89.4 -9.6 -178.2 112.7 79.1 55.0 146 -1.4 24 -2.0 0 0.0 0 0.0 9 49
150 150 VAL V t < < T - 0 0 -67.3 129.0 178.7 -152.3 53.9 115.6 147 -1.0 0 0.0 146 -0.6 0 0.0 15 44
151 151 SER S + 0 0 -98.4 153.3 176.4 8.5 66.9 135.6 0 0.0 0 0.0 0 0.0 0 0.0 12 38
152 152 SER S S S S+ 0 0 46.6 59.2 179.5 130.5 93.8 24.0 0 0.0 0 0.0 0 0.0 0 0.0 6 33
153 153 SER S - 0 0 -142.6 157.0 174.4 -160.5 53.6 168.8 0 0.0 0 0.0 0 0.0 0 0.0 7 30
154 154 HIS H S S S+ 0 0 -105.5 -5.7 -178.4 36.4 102.0 71.0 0 0.0 0 0.0 0 0.0 0 0.0 4 19
155 155 ASN N h > T + 0 0 -148.1 67.0 -176.8 166.4 67.1 117.4 0 0.0 159 -2.3 0 0.0 0 0.0 6 26
156 156 THR T H H > TS+ 0 0 -56.8 -36.8 -179.4 55.2 75.9 34.7 0 0.0 160 -2.1 0 0.0 0 0.0 12 36
157 157 ASP D H H > TS+ 0 0 -65.3 -40.1 177.6 44.6 111.5 25.7 0 0.0 161 -1.0 0 0.0 0 0.0 11 36
158 158 GLN Q H H > TS+ 0 0 -65.1 -48.4 -179.8 50.9 112.3 24.3 0 0.0 162 -2.1 0 0.0 0 0.0 9 40
159 159 ASP D H H X TS+ 0 0 -60.5 -32.1 178.7 64.7 100.4 34.9 155 -2.3 163 -1.9 0 0.0 0 0.0 12 41
160 160 ALA A H H < TS+ 0 0 -60.2 -40.5 179.1 37.0 110.8 26.2 156 -2.1 0 0.0 0 0.0 0 0.0 13 55
161 161 LEU L H H < > TS+ 0 0 -78.9 -34.4 -179.0 63.8 108.5 33.0 157 -1.0 164 -1.7 0 0.0 0 0.0 10 57
162 162 ALA A H H < > TS+ 0 0 -56.8 -38.8 -178.4 66.0 91.9 32.4 158 -2.1 165 -1.7 0 0.0 0 0.0 9 49
163 163 ALA A G h < 3 TS+ 0 0 -61.2 -16.6 -179.2 59.4 95.1 48.5 159 -1.9 0 0.0 0 0.0 0 0.0 11 61
164 164 LEU L G G X TS+ 0 0 -85.9 -17.3 -176.2 86.3 80.5 51.6 161 -1.7 167 -1.5 0 0.0 0 0.0 10 59
165 165 ARG R G G X TS+ 0 0 -55.2 -45.0 -177.2 46.6 89.4 27.8 162 -1.7 168 -1.1 0 0.0 0 0.0 12 53
166 166 THR T G G 3 TS+ 0 0 -74.1 -7.8 -175.6 64.8 104.9 55.3 0 0.0 0 0.0 0 0.0 0 0.0 10 54
167 167 LEU L G G < TS+ 0 0 -98.9 7.4 -179.1 119.1 73.2 73.2 164 -1.5 117 -2.7 0 0.0 0 0.0 13 56
168 168 THR T S h > < TS- 0 0 -69.9 160.5 178.1 -114.8 76.3 109.1 165 -1.1 172 -2.6 0 0.0 0 0.0 14 47
169 169 THR T H H > TS+ 0 0 -58.8 -42.3 179.1 49.7 117.3 25.0 0 0.0 173 -2.0 0 0.0 0 0.0 12 42
170 170 ALA A H H > TS+ 0 0 -64.9 -43.8 -178.6 46.8 111.0 24.3 0 0.0 174 -1.7 0 0.0 0 0.0 7 31
171 171 GLN Q H H > TS+ 0 0 -67.0 -47.1 -178.9 47.4 113.6 23.7 0 0.0 175 -2.4 0 0.0 0 0.0 11 42
172 172 THR T H H X TS+ 0 0 -63.6 -32.7 179.3 58.2 107.0 31.9 168 -2.6 176 -3.0 0 0.0 0 0.0 13 53
173 173 ALA A H H X TS+ 0 0 -60.1 -44.8 179.0 44.8 109.4 23.3 169 -2.0 177 -1.6 0 0.0 0 0.0 10 38
174 174 THR T H H X TS+ 0 0 -64.3 -46.3 178.5 49.9 113.6 21.1 170 -1.7 178 -2.1 0 0.0 0 0.0 8 30
175 175 TYR Y H H X TS+ 0 0 -58.6 -43.9 -177.3 52.6 108.0 25.5 171 -2.4 179 -2.4 0 0.0 0 0.0 8 45
176 176 ASN N H H < TS+ 0 0 -65.1 -33.0 178.4 51.1 109.0 35.7 172 -3.0 0 0.0 0 0.0 0 0.0 10 46
177 177 ARG R H H < TS+ 0 0 -71.0 -38.9 -179.8 40.5 115.1 26.0 173 -1.6 0 0.0 0 0.0 0 0.0 7 28
178 178 ASN N H H < TS+ 0 0 -77.0 -27.0 -179.0 34.1 127.7 39.2 174 -2.1 0 0.0 0 0.0 0 0.0 6 28
179 179 PHE F S h < TS- 0 0 -130.4 70.6 179.6 -175.3 82.0 128.4 175 -2.4 0 0.0 0 0.0 0 0.0 9 37
180 180 PRO P - 0 0 -63.3 155.6 -179.4 -165.1 3.2 103.8 0 0.0 0 0.0 0 0.0 0 0.0 7 43
181 181 SER S t > T - 0 0 -147.8 135.6 177.4 -140.5 29.9 169.2 0 0.0 184 -2.0 0 0.0 0 0.0 7 55
182 182 ALA A T T 3 TS+ 0 0 -63.6 -23.1 -178.5 71.9 102.4 45.5 0 0.0 194 -2.5 0 0.0 0 0.0 10 43
183 183 GLY G T T 3 TS+ 0 0 -67.1 -13.4 -177.9 85.5 82.4 52.2 0 0.0 271 -2.1 0 0.0 193 -1.9 14 53
184 184 LEU L S t < TS- 0 0 -92.1 144.6 179.7 -132.8 76.0 137.1 181 -2.0 0 0.0 0 0.0 0 0.0 12 54
185 185 GLY G - 0 0 -84.9 176.2 -179.5 -67.8 40.5 98.1 0 0.0 0 0.0 0 0.0 0 0.0 13 36
186 186 ALA A t > T - 0 0 -64.2 153.2 178.7 -84.9 67.2 106.7 0 0.0 189 -1.7 0 0.0 0 0.0 9 25
187 187 PRO P T T 3 TS+ 0 0 -60.6 135.3 178.8 5.9 109.9 108.0 0 0.0 0 0.0 0 0.0 0 0.0 5 30
188 188 GLY G T T 3 TS+ 0 0 67.3 14.5 179.8 105.9 100.9 53.5 0 0.0 0 0.0 0 0.0 0 0.0 4 26
189 189 SER S S t < TS- 0 0 -95.4 -22.6 -176.3 -144.0 70.6 43.6 186 -1.7 0 0.0 0 0.0 0 0.0 6 22
190 190 CYS C + 0 0 54.5 43.1 177.8 120.0 64.3 28.0 0 0.0 0 0.0 0 0.0 0 0.0 10 35
191 191 GLN Q - 0 0 -129.1 153.4 178.3 -116.7 64.6 160.3 0 0.0 0 0.0 0 0.0 0 0.0 8 35
192 192 THR T - 0 0 -87.5 176.0 -178.1 -130.7 23.6 104.2 0 0.0 0 0.0 0 0.0 0 0.0 13 44
193 193 GLY G - 0 0 -100.6 -141.8 -176.8 -28.9 52.6 79.6 183 -1.9 0 0.0 0 0.0 0 0.0 13 39
194 194 ALA A - 0 0 -80.3 153.9 178.2 -132.8 43.1 115.8 182 -2.5 0 0.0 0 0.0 0 0.0 12 33
195 195 ALA A S e S+ 0 0 -77.9 -20.9 -179.7 24.8 91.5 50.1 0 0.0 206 -2.5 0 0.0 0 0.0 10 35
196 196 THR T E E AF - 205 0 -137.6 165.8 175.2 -159.2 63.7 156.3 0 0.0 0 0.0 0 0.0 0 0.0 11 43
197 197 GLU E E E AF - 204 0 -145.2 149.7 176.5 -146.3 11.3 169.0 204 -1.4 204 -3.0 0 0.0 199 -0.6 12 39
198 198 THR T E E AF + 203 0 -120.2 112.7 -174.7 166.3 29.3 170.6 0 0.0 0 0.0 0 0.0 0 0.0 8 31
199 199 VAL V E E AF > T - 202 0 -130.9 122.8 179.3 -1.9 67.8 174.5 202 -2.6 202 -2.0 197 -0.6 0 0.0 9 32
200 200 GLY G T T 3 TS- 0 0 61.3 34.9 -178.8 -63.1 130.1 27.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24
201 201 GLY G T T 3 TS+ 0 0 61.0 12.4 178.0 122.8 114.6 60.3 0 0.0 0 0.0 0 0.0 0 0.0 6 21
202 202 SER S E E A F< T - 0 199 -104.8 132.0 178.6 -137.6 57.6 154.4 199 -2.0 199 -2.6 0 0.0 0 0.0 8 29
203 203 GLN Q E E A F - 0 198 -89.2 135.6 177.3 -164.1 18.7 138.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39
204 204 HIS H E E A F - 0 197 -118.1 135.7 173.6 -137.7 16.4 168.0 197 -3.0 197 -1.4 0 0.0 0 0.0 12 51
205 205 LEU L E E AeF - 106 196 -84.1 133.8 -178.6 -156.2 25.8 140.2 105 -2.2 107 -2.4 0 0.0 0 0.0 11 60
206 206 LEU L E E Ae + 107 0 -118.1 127.8 178.9 162.7 19.8 163.5 195 -2.5 272 -3.0 0 0.0 0 0.0 15 59
207 207 TYR Y E E Aeg + 108 272 -137.9 162.9 172.9 169.9 7.7 162.2 107 -2.4 109 -2.0 0 0.0 0 0.0 14 63
208 208 SER S E E Aeg + 109 273 -161.7 165.0 169.8 177.2 7.6 170.3 272 -1.9 274 -2.9 0 0.0 275 -0.5 16 71
209 209 TRP W E E Aeg - 110 275 -159.3 166.9 179.8 -179.2 9.1 159.0 109 -1.7 111 -2.5 0 0.0 0 0.0 13 69
210 210 GLY G E E A * - 0 0 -158.4 175.6 178.2 -103.9 25.8 158.4 275 -1.3 278 -0.8 0 0.0 0 0.0 16 68
211 211 GLY G E E A g - 0 278 -113.1 152.7 178.1 -172.4 15.3 144.8 0 0.0 0 0.0 0 0.0 0 0.0 16 64
212 212 THR T e + 0 0 -132.2 41.8 178.7 135.4 37.0 100.7 278 -2.6 0 0.0 0 0.0 0 0.0 16 61
213 213 ALA A e + 0 0 -57.6 -40.0 -174.8 74.5 59.8 29.6 280 -2.0 226 -3.2 0 0.0 215 -0.7 15 62
214 214 ILE I E E CHB + 225 259 -86.5 115.8 -179.0 178.9 66.5 134.6 259 -2.3 259 -2.1 0 0.0 0 0.0 17 63
215 215 GLN Q E E CH - 224 0 -117.0 146.7 179.6 -110.4 29.1 150.1 224 -2.5 224 -2.3 213 -0.7 0 0.0 12 51
216 216 PRO P E E CH - 223 0 -73.2 143.7 176.7 -168.2 32.1 120.8 0 0.0 0 0.0 0 0.0 0 0.0 11 36
217 217 THR T e - 0 0 -130.2 156.3 -177.2 -123.3 32.6 152.2 222 -1.7 0 0.0 0 0.0 0 0.0 8 28
218 218 SER S 0 0 -76.7 -4.6 -177.8 999.9 999.9 57.6 0 0.0 0 0.0 0 0.0 0 0.0 4 17
219! 219 THR T 0 0 -117.4 999.9 999.9 999.9 999.9 162.7 0 0.0 222 -2.0 0 0.0 0 0.0 5 15
220! 223 VAL V 0 0 999.9 116.3 176.0 999.9 999.9 999.9 0 0.0 222 -0.5 0 0.0 0 0.0 7 31
221 224 THR T + 0 0 -104.3 152.0 173.1 11.1 999.9 157.6 0 0.0 0 0.0 0 0.0 0 0.0 6 28
222 225 GLY G S e S+ 0 0 76.2 5.6 179.4 76.0 111.8 70.7 219 -2.0 217 -1.7 220 -0.5 0 0.0 11 30
223 226 ALA A E E CH - 216 0 -147.7 156.9 178.9 -166.4 51.2 171.9 0 0.0 0 0.0 0 0.0 0 0.0 14 42
224 227 THR T E E CH - 215 0 -138.7 149.7 178.4 -126.2 24.0 163.7 215 -2.3 215 -2.5 0 0.0 226 -0.8 11 45
225 228 ASP D E E CH > T - 214 0 -98.9 107.8 179.3 -177.3 21.3 151.9 0 0.0 228 -0.8 0 0.0 0 0.0 9 59
226 229 THR T T e 3 TS+ 0 0 -83.7 -0.1 178.3 75.3 72.4 64.0 213 -3.2 0 0.0 224 -0.8 0 0.0 10 46
227 230 SER S T T 3 TS+ 0 0 -79.6 -20.1 -174.7 57.7 93.8 42.8 0 0.0 296 -2.3 0 0.0 297 -0.8 14 55
228 231 THR T S t < TS- 0 0 -113.4 154.1 178.6 -134.6 72.3 139.7 225 -0.8 0 0.0 0 0.0 0 0.0 14 44
229 232 GLY G - 0 0 -87.1 -161.9 -179.5 -76.3 47.7 91.7 0 0.0 0 0.0 0 0.0 0 0.0 9 27
230 233 THR T S S S+ 0 0 -59.5 -60.6 -178.2 16.5 125.6 19.4 0 0.0 232 -0.6 0 0.0 0 0.0 4 19
231 234 LEU L S S S+ 0 0 -119.5 92.6 -177.1 177.4 88.0 160.6 0 0.0 233 -0.5 0 0.0 0 0.0 6 20
232 235 ASP D t > T - 0 0 -107.0 131.6 176.2 -149.0 33.6 159.0 230 -0.6 235 -1.8 0 0.0 0 0.0 10 25
233 236 VAL V T h > > TS+ 0 0 -59.8 -27.3 -179.9 71.6 96.8 44.7 231 -0.5 237 -3.2 0 0.0 236 -2.0 7 25
234 237 ALA A H H > 3 TS+ 0 0 -61.6 -25.0 178.6 62.8 88.7 39.9 0 0.0 238 -1.2 0 0.0 0 0.0 12 39
235 238 ASN N H H 4 < TS+ 0 0 -70.0 -20.2 -179.2 30.4 116.1 50.0 232 -1.8 0 0.0 0 0.0 0 0.0 12 38
236 239 VAL V H H 4 < TS+ 0 0 -105.7 -45.7 -176.1 44.3 121.2 44.4 233 -2.0 0 0.0 0 0.0 0 0.0 7 27
237 240 THR T H H < TS+ 0 0 -82.7 -9.4 178.6 49.6 115.0 51.6 233 -3.2 0 0.0 0 0.0 0 0.0 7 25
238 241 ASP D h < > T - 0 0 -132.2 101.5 179.5 -169.1 63.6 157.0 234 -1.2 241 -1.5 0 0.0 0 0.0 10 43
239 242 PRO P T h > 3 TS+ 0 0 -62.5 -19.1 178.6 67.6 83.8 47.1 0 0.0 243 -1.1 0 0.0 0 0.0 9 42
240 243 SER S H H > 3 TS+ 0 0 -73.6 -19.5 -177.9 75.2 84.7 44.0 0 0.0 244 -2.5 0 0.0 0 0.0 10 56
241 244 THR T H H > < TS+ 0 0 -58.3 -57.4 179.8 29.0 105.7 12.8 238 -1.5 245 -1.2 0 0.0 0 0.0 10 62
242 245 LEU L H H > TS+ 0 0 -74.3 -27.8 177.5 60.9 116.9 32.9 0 0.0 246 -2.0 0 0.0 0 0.0 8 56
243 246 ALA A H H X TS+ 0 0 -60.5 -44.3 -178.2 46.0 107.0 25.5 239 -1.1 247 -2.2 0 0.0 0 0.0 12 56
244 247 LEU L H H X TS+ 0 0 -74.6 -23.1 171.1 56.5 107.8 42.0 240 -2.5 248 -2.2 0 0.0 0 0.0 14 68
245 248 LEU L H H X TS+ 0 0 -68.5 -41.0 180.0 47.5 109.6 24.0 241 -1.2 249 -1.7 0 0.0 0 0.0 14 63
246 249 ALA A H H X TS+ 0 0 -64.5 -48.1 179.3 42.6 115.4 20.6 242 -2.0 250 -1.4 0 0.0 0 0.0 11 54
247 250 THR T H H X TS+ 0 0 -66.3 -41.0 178.1 54.1 113.2 24.7 243 -2.2 251 -2.2 0 0.0 0 0.0 14 65
248 251 GLY G H H X TS+ 0 0 -60.9 -33.0 179.8 54.8 104.8 37.7 244 -2.2 252 -2.1 0 0.0 0 0.0 15 63
249 252 ALA A H H X TS+ 0 0 -67.5 -39.0 176.6 49.9 107.2 30.6 245 -1.7 253 -1.6 0 0.0 0 0.0 16 54
250 253 VAL V H H X TS+ 0 0 -63.1 -43.7 179.8 52.2 109.5 21.0 246 -1.4 254 -0.9 0 0.0 0 0.0 11 50
251 254 MET M H H < >>TS+ 0 0 -57.8 -46.8 -179.6 51.0 107.8 24.9 247 -2.2 256 -2.3 0 0.0 254 -0.9 16 59
252 255 ILE I H H < >5TS+ 0 0 -61.5 -37.6 179.9 53.9 106.1 30.3 248 -2.1 255 -1.5 0 0.0 0 0.0 13 45
253 256 ASN N H H < 35TS+ 0 0 -70.1 -17.9 178.8 56.2 105.8 44.9 249 -1.6 0 0.0 0 0.0 0 0.0 8 37
254 257 ARG R T h < <5TS- 0 0 -100.7 27.3 176.7 -102.4 126.7 92.0 250 -0.9 0 0.0 251 -0.9 0 0.0 7 41
255 258 ALA A T T <5TS+ 0 0 61.8 28.9 178.9 134.6 80.0 48.4 252 -1.5 0 0.0 0 0.0 0 0.0 6 39
256 259 SER S t C T - 259 0 -78.6 164.4 177.3 -112.4 26.1 111.8 0 0.0 268 -1.5 0 0.0 0 0.0 16 73
265 268 ARG R H H > TS+ 0 0 -58.1 -50.8 -178.9 49.3 117.9 17.3 258 -2.3 269 -0.7 0 0.0 0 0.0 14 60
266 269 CYS C H H 4 > TS+ 0 0 -58.3 -41.1 -178.8 52.3 109.2 26.0 0 0.0 269 -0.9 0 0.0 0 0.0 7 57
267 270 SER S H H 4 3 TS+ 0 0 -68.1 -26.1 -178.4 56.3 105.4 36.1 0 0.0 114 -1.3 0 0.0 0 0.0 13 69
268 271 SER S H H < 3 TS+ 0 0 -79.5 -13.7 -173.7 117.9 76.1 48.9 264 -1.5 0 0.0 0 0.0 0 0.0 16 74
269 272 LEU L h < < T + 0 0 -65.9 126.4 -178.6 148.7 31.9 114.0 266 -0.9 0 0.0 265 -0.7 0 0.0 16 63
270 273 PHE F - 0 0 -158.4 129.4 176.2 -34.2 56.2 161.1 0 0.0 0 0.0 0 0.0 0 0.0 15 66
271 274 GLY G S S S+ 0 0 58.9 -147.3 177.4 0.1 121.7 103.3 183 -2.1 273 -0.7 0 0.0 0 0.0 16 55
272 275 GLN Q E E Ag S- 207 0 -77.0 112.6 -179.9 -144.8 77.6 134.6 206 -3.0 208 -1.9 0 0.0 274 -0.7 12 43
273 276 VAL V E E Ag - 208 0 -80.9 114.0 179.3 -169.4 13.4 138.2 271 -0.7 0 0.0 0 0.0 0 0.0 11 48
274 277 ILE I E E A* - 0 0 -66.8 -53.5 177.4 -38.6 66.3 17.1 208 -2.9 0 0.0 272 -0.7 0 0.0 7 46
275 278 SER S E E Ag - 209 0 -166.6 153.8 171.8 -169.1 36.3 158.6 208 -0.5 210 -1.3 0 0.0 0 0.0 8 45
276 279 THR T E E A* S+ 0 0 -126.1 10.4 -175.3 87.6 75.7 82.0 0 0.0 0 0.0 0 0.0 0 0.0 10 51
277 280 SER S E E A* + 0 0 -94.6 8.3 178.5 128.7 52.8 67.4 0 0.0 0 0.0 0 0.0 0 0.0 7 40
278 281 TYR Y E E Ag - 211 0 -60.6 140.0 -178.6 -126.5 66.1 111.4 210 -0.8 212 -2.6 0 0.0 280 -1.9 11 49
279 282 HIS H + 0 0 -86.6 61.3 -171.3 132.5 65.6 120.4 0 0.0 0 0.0 0 0.0 0 0.0 12 52
280 283 TRP W - 0 0 -123.9 148.3 173.5 -147.1 51.5 156.3 278 -1.9 213 -2.0 0 0.0 0 0.0 16 66
281 284 ASN N t > > T - 0 0 -97.3 170.6 -175.1 -86.7 52.4 122.2 0 0.0 285 -1.2 0 0.0 284 -0.7 16 72
282 285 HIS H T T 4 3 TS+ 0 0 -52.1 -35.4 179.7 42.9 127.3 36.3 260 -3.0 0 0.0 0 0.0 0 0.0 13 85
283 286 LEU L T g 4 >>TS+ 0 0 -86.1 -22.9 177.1 67.0 101.0 41.4 0 0.0 288 -2.3 0 0.0 286 -1.4 10 77
284 287 ASP D G G 4 X5TS+ 0 0 -61.2 -31.4 -179.4 70.1 89.6 32.9 281 -0.7 287 -2.1 0 0.0 0 0.0 14 67
285 288 GLU E G G < 35TS+ 0 0 -56.9 -24.6 -179.7 36.7 106.0 42.5 281 -1.2 0 0.0 0 0.0 0 0.0 13 75
286 289 ILE I G G <5TS- 0 0 -118.1 25.8 176.7 -99.6 123.6 86.9 283 -1.4 31 -1.1 0 0.0 0 0.0 12 69
287 290 ASN N T g > <5T - 0 0 62.0 37.3 -178.1 -162.5 69.0 32.4 284 -2.1 291 -2.5 0 0.0 0 0.0 15 58
288 291 GLN Q T T 4 TS- 0 0 -84.8 133.4 176.9 -45.2 134.1 64.1 0 0.0 292 -1.8 0 0.0 0 0.0 11 50
290 293 LEU L T T 4 3 TS- 0 0 53.2 40.5 175.6 -53.5 112.1 33.3 0 0.0 0 0.0 0 0.0 0 0.0 6 39
291 294 GLY G T T < 3 TS+ 0 0 78.7 3.0 179.3 144.1 98.2 61.6 287 -2.5 0 0.0 0 0.0 0 0.0 9 44
292 295 VAL V t < T + 0 0 -83.0 129.1 178.0 156.4 15.4 131.5 289 -1.8 0 0.0 0 0.0 0 0.0 11 43
293 296 ARG R - 0 0 -145.9 155.0 -179.1 -91.9 42.7 164.7 0 0.0 0 0.0 0 0.0 0 0.0 14 54
294 297 GLY G t > T - 0 0 -62.7 161.2 -179.0 -99.9 44.8 96.3 0 0.0 297 -1.6 0 0.0 0 0.0 12 49
295 298 ALA A T T 3 TS+ 0 0 -57.7 -26.9 179.9 45.8 122.9 42.6 0 0.0 0 0.0 0 0.0 0 0.0 9 31
296 299 ASN N T T 3 TS+ 0 0 -94.6 -2.6 -179.1 112.5 88.1 63.7 227 -2.3 0 0.0 0 0.0 0 0.0 9 35
297 300 ALA A t < T - 0 0 -79.9 133.2 179.2 -128.9 64.9 125.5 294 -1.6 0 0.0 227 -0.8 0 0.0 12 45
298 301 GLU E - 0 0 -70.9 164.3 179.7 -85.7 35.5 102.1 0 0.0 0 0.0 0 0.0 0 0.0 7 40
299 302 ASP D h > T - 0 0 -75.3 108.9 -178.7 -169.2 37.3 128.6 0 0.0 303 -1.8 0 0.0 0 0.0 6 42
300 303 PRO P H H > TS+ 0 0 -69.6 -30.0 -180.0 57.0 84.8 37.9 0 0.0 304 -2.3 0 0.0 0 0.0 10 56
301 304 VAL V H H > TS+ 0 0 -64.4 -44.1 -179.9 46.0 109.4 22.0 0 0.0 305 -2.5 0 0.0 0 0.0 11 46
302 305 ALA A H H > TS+ 0 0 -65.7 -40.8 -179.6 53.5 111.1 25.7 0 0.0 306 -2.5 0 0.0 0 0.0 7 36
303 306 VAL V H H X TS+ 0 0 -60.7 -48.1 -178.2 43.6 111.8 24.5 299 -1.8 307 -1.7 0 0.0 0 0.0 8 49
304 307 ILE I H H X TS+ 0 0 -65.3 -41.1 -179.8 52.4 113.0 20.0 300 -2.3 308 -2.2 0 0.0 0 0.0 8 64
305 308 ARG R H H X TS+ 0 0 -58.7 -46.9 -178.6 50.4 108.3 22.9 301 -2.5 309 -2.0 0 0.0 0 0.0 11 49
306 309 THR T H H X TS+ 0 0 -61.5 -36.7 -179.5 53.3 109.2 30.3 302 -2.5 310 -1.9 0 0.0 0 0.0 9 39
307 310 HIS H H H X TS+ 0 0 -69.4 -36.9 179.8 51.3 105.3 30.1 303 -1.7 311 -2.5 0 0.0 0 0.0 8 57
308 311 VAL V H H X TS+ 0 0 -68.1 -33.8 175.3 49.7 110.9 26.5 304 -2.2 312 -1.9 0 0.0 0 0.0 11 58
309 312 ASN N H H X TS+ 0 0 -64.9 -41.6 178.4 55.7 107.2 28.3 305 -2.0 313 -2.4 0 0.0 0 0.0 12 42
310 313 ARG R H H X TS+ 0 0 -53.6 -47.2 177.7 49.1 107.4 24.0 306 -1.9 314 -1.1 0 0.0 0 0.0 8 43
311 314 LEU L H H < >>TS+ 0 0 -59.1 -46.8 -179.2 52.6 108.7 21.5 307 -2.5 316 -2.0 0 0.0 314 -0.8 10 51
312 315 LYS K H H < >5TS+ 0 0 -55.4 -47.0 -178.2 51.0 108.3 21.7 308 -1.9 315 -1.7 0 0.0 0 0.0 12 40
313 316 LEU L H H < 35TS+ 0 0 -65.0 -26.3 -179.8 57.7 104.8 42.7 309 -2.4 0 0.0 0 0.0 0 0.0 7 24
314 317 GLN Q T h < <5TS- 0 0 -83.6 -3.8 179.9 -105.8 122.1 63.8 310 -1.1 0 0.0 311 -0.8 0 0.0 6 30
315 318 GLY G T T <5T 0 0 91.6 13.9 178.1 999.9 999.9 54.8 312 -1.7 0 0.0 0 0.0 0 0.0 7 31
316 319 VAL V t 5555< 5-turns
3-turns >33< >33< >33< >33< >>3<< >33X33< >>><<< > 3-turns
bridge-2 bbb dddddd bridge-2
bridge-1 aaaa A CC CC bbb A aaaa bridge-1
sheets AAAA BB BB AAA AAAAAA sheets
4-turns >444< >4>>X>X<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXX<<<< 4-turns
summary tTTt SSeEEEE tTTBSeEETTTEEetThHHHHHHHhTteEEEe B SStTTtTThHHHHHHHHHHHHHHHHh S EEEEEEehHHHHHHHHHHHh summary
sequence ADTYAATRYPVILVHGLAGTDKFANVVDYWYGIQSDLQSHGAKVYVANLSGFQSDDGPNGRGEQLLAYVKQVLAATGATKVNLIGHSQGGLTSRYVAAVA sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand GGGEEEEEEES TT HHHHHHHHHHTT TT TT HHHHHHHHHHHTT S S HHHHHHHGGGGGSHHHHHHHHHHS TTS TTS SEEEET Kabs/Sand
chirality ++++------+-++---++++++++++++-+-+++-+++++++++++++-++-++++++++++++++-++++++++++---++---++-+----+--+-- chirality
bends SSS S SS SS SSSSSSSSSSSS SS S SSSSSSSSSSSSS S S SSSSSSSSSSSSSSSSSSSSSSSS SSS SSS S S bends
turns TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTT TTTT TT turns
5-turns 5-turns
3-turns >3<< >33< >>3<<>33X33< >>><<< >>3XX3<< >33< >33< >3 3-turns
bridge-2 eeeee bridge-2
bridge-1 d*ddddd FFFF bridge-1
sheets AAAAAAA AAAA sheets
4-turns >>>>XXXX>>>XXXXX>>>X<<<< >>>>XXXX<<<< 4-turns
summary TTeEEEEEEEe tTTthHHHHHHHHHHhTtTTtTThHHHHHHHHHHHhTt S ShHHHHHHHhGGGGhHHHHHHHHHHh tTTt tTTt eEEEET summary
sequence PQLVASVTTIGTPHRGSEFADFVQDVLKTDPTGLSSTVIAAFVNVFGTLVSSSHNTDQDALAALRTLTTAQTATYNRNFPSAGLGAPGSCQTGAATETVG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TEEEEEEEEEE EEE SEEETTS SS THHHH THHHHHHHHHHHHHHTT SBSSSSBHHHH SEEEEEEE TTGGGTTTTT TT H Kabs/Sand
chirality +----+++---+++--- ++---++--++-+++++-+++++++++++++++-+--+--++--+++++-+----++-+--++++--+--++--++---+ chirality
bends S S SSS SS SSSSS SSSSSSSSSSSSSSSSS S SSSS SSSS SS S SSSSS SSS SS S bends
turns TT TTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTT TTTT TT turns
5-turns >5555< >5555< 5-turns
3-turns 3< >33< >>3<< >33< >>3<< >33< >3>X3<< >33< >33< 3-turns
bridge-2 FFFF ggg*g B C bridge-2
bridge-1 eeeee HHH HHH B C gg*g**g bridge-1
sheets AAAAAAAAAA CCC CCC AAAAAAA sheets
4-turns >>44<<>>>>XXXXXXXX<<<< >>44<< >444< >444< >> 4-turns
summary TEEEEEEEEEEeeEEEe eEEEeTt SSthHHHHhhHHHHHHHHHHHHHHhTt SBSSSShHHHHh SEEEEEEE tTgGGGgTTTTt tTTt hH summary
sequence GSQHLLYSWGGTAIQPTSTVTGATDTSTGTLDVANVTDPSTLALLATGAVMINRASGQNDGLVSRCSSLFGQVISTSYHWNHLDEINQLLGVRGANAEDP sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHHHHTT Kabs/Sand
chirality +++++++++++++- chirality
bends SSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>XXXXXXXX<<<< 4-turns
summary HHHHHHHHHHHHHhTt summary
sequence VAVIRTHVNRLKLQGV sequence
310
Messages
chain break between 219( 219 ) and 220( 223 )