Secondary structure calculation program - copyright by David Keith Smith, 1989
1cv2A.pdb
1CV2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 293
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 GLY G 0 0 999.9 151.3 179.0 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 32
2 A 5 ALA A + 0 0 -95.8 -7.7 -175.4 108.6 999.9 55.9 0 0.0 0 0.0 0 0.0 0 0.0 6 35
3 A 6 LYS K S S S- 0 0 -73.6 138.6 173.5 -120.3 70.9 120.0 0 0.0 0 0.0 0 0.0 0 0.0 5 29
4 A 7 PRO P - 0 0 -64.9 164.4 175.7 -108.5 26.7 100.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
5 A 8 PHE F S S S- 0 0 -93.8 129.1 175.2 -31.0 74.6 143.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42
6 A 9 GLY G S S S- 0 0 61.0 -156.1 179.7 -70.4 92.5 99.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
7 A 10 GLU E - 0 0 -139.3 155.8 -177.2 -91.9 48.1 167.9 0 0.0 0 0.0 0 0.0 0 0.0 6 35
8 A 11 LYS K - 0 0 -70.7 133.0 167.1 -169.0 33.9 115.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
9 A 12 LYS K E E AA - 20 0 -108.6 158.6 -179.5 -148.8 10.2 144.6 20 -3.4 20 -2.2 0 0.0 0 0.0 8 37
10 A 13 PHE F E E AA + 19 0 -130.4 149.4 175.7 177.7 15.7 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 38
11 A 14 ILE I E E AA - 18 0 -149.1 142.2 178.9 -113.6 32.5 171.3 18 -2.1 18 -2.6 0 0.0 0 0.0 8 37
12 A 15 GLU E + 0 0 -81.5 126.6 -179.8 178.0 34.8 133.8 0 0.0 0 0.0 0 0.0 0 0.0 8 32
13 A 16 ILE I S t > TS- 0 0 -130.1 120.5 -179.4 -16.7 72.2 176.9 0 0.0 16 -2.6 0 0.0 0 0.0 10 35
14 A 17 LYS K T T 3 TS- 0 0 49.3 41.1 -177.9 -58.0 128.1 30.2 0 0.0 0 0.0 0 0.0 0 0.0 6 29
15 A 18 GLY G T T 3 TS+ 0 0 67.3 15.4 -175.0 101.6 121.8 55.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
16 A 19 ARG R S t < TS- 0 0 -117.9 11.8 -178.3 -123.0 74.4 66.8 13 -2.6 67 -0.5 0 0.0 0 0.0 10 36
17 A 20 ARG R - 0 0 46.9 107.2 174.6 -160.7 26.6 25.6 0 0.0 67 -3.0 0 0.0 0 0.0 10 35
18 A 21 MET M E E AA - 11 0 -115.3 144.4 -178.0 -136.7 8.0 157.0 11 -2.6 11 -2.1 0 0.0 0 0.0 16 48
19 A 22 ALA A E E AA + 10 0 -105.7 147.9 -178.2 156.2 29.8 137.9 0 0.0 59 -3.1 0 0.0 0 0.0 13 51
20 A 23 TYR Y E E AAB - 9 58 -164.7 157.0 167.7 -118.4 39.3 169.9 9 -2.2 9 -3.4 0 0.0 0 0.0 12 59
21 A 24 ILE I E E A B + 0 57 -96.9 136.4 -178.6 174.4 29.5 151.4 57 -2.4 57 -2.2 0 0.0 0 0.0 14 55
22 A 25 ASP D E E A B + 0 56 -148.7 95.2 -172.7 162.7 12.0 142.4 0 0.0 0 0.0 0 0.0 0 0.0 11 48
23 A 26 GLU E E E A B + 0 55 -124.8 128.4 168.5 2.3 40.4 164.8 55 -2.5 55 -3.2 0 0.0 0 0.0 8 40
24 A 27 GLY G S S S- 0 0 101.3 -175.1 -172.4 -82.6 74.2 115.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
25 A 28 THR T S S S+ 0 0 -138.8 158.3 178.1 46.4 70.6 156.0 0 0.0 0 0.0 0 0.0 0 0.0 9 29
26 A 29 GLY G S S S- 0 0 109.9 -159.3 -177.8 -8.1 97.1 135.5 0 0.0 0 0.0 0 0.0 0 0.0 7 31
27 A 30 ASP D S e S- 0 0 -73.1 145.7 -175.6 -99.2 86.1 118.7 0 0.0 54 -1.7 0 0.0 0 0.0 11 43
28 A 31 PRO P E E Ac - 54 0 -71.7 145.2 163.2 -160.6 21.5 110.1 0 0.0 100 -2.4 0 0.0 30 -0.5 14 54
29 A 32 ILE I E E Acd - 55 100 -117.5 112.5 -161.4 -158.6 26.1 173.6 54 -2.9 56 -2.9 0 0.0 31 -0.7 12 68
30 A 33 LEU L E E Acd - 56 101 -110.5 107.6 -174.7 -165.8 9.6 152.4 100 -3.4 102 -3.1 28 -0.5 32 -0.5 11 78
31 A 34 PHE F E E Acd - 57 102 -98.9 120.6 -175.3 -168.9 6.6 148.6 56 -3.2 33 -0.6 29 -0.7 58 -0.5 13 82
32 A 35 GLN Q E E Acd - 58 103 -122.9 114.2 175.1 -158.3 3.7 160.7 102 -2.8 104 -1.6 30 -0.5 0 0.0 15 71
33 A 36 HIS H e - 0 0 -69.1 168.6 173.7 -160.2 6.6 103.8 31 -0.6 0 0.0 58 -0.5 0 0.0 19 68
34 A 37 GLY G t > T + 0 0 -127.7 -143.6 -174.4 8.8 43.0 101.7 0 0.0 37 -1.7 0 0.0 0 0.0 12 71
35 A 38 ASN N T T 3 TS- 0 0 -95.3 137.4 -2.5 -11.3 121.5 134.4 0 0.0 0 0.0 0 0.0 0 0.0 10 74
36 A 39 PRO P T T 3 TS+ 0 0 -106.6 55.0 -158.6 83.0 116.6 118.2 0 0.0 0 0.0 0 0.0 0 0.0 11 78
37 A 40 THR T t < T - 0 0 -112.6 -164.1 179.3 -154.7 53.6 93.5 34 -1.7 0 0.0 0 0.0 0 0.0 11 71
38 A 41 SER S g > T - 0 0 -156.4 -172.6 170.6 -61.7 53.6 154.6 0 0.0 41 -2.4 0 0.0 0 0.0 14 71
39 A 42 SER S G G > TS+ 0 0 -49.4 -29.5 178.3 77.5 122.7 41.5 0 0.0 42 -1.9 0 0.0 0 0.0 15 65
40 A 43 TYR Y G G > TS+ 0 0 -53.5 -28.1 179.8 74.6 76.5 42.7 0 0.0 43 -1.7 0 0.0 0 0.0 11 63
41 A 44 LEU L G G < TS+ 0 0 -54.1 -33.4 -171.0 43.2 99.4 37.5 38 -2.4 0 0.0 0 0.0 0 0.0 10 74
42 A 45 TRP W G G > X TS+ 0 0 -97.8 7.4 -164.7 112.6 77.9 73.1 39 -1.9 46 -3.0 0 0.0 45 -1.7 12 70
43 A 46 ARG R T g 4 < TS+ 0 0 -60.3 -30.8 -179.3 37.9 84.9 38.2 40 -1.7 0 0.0 0 0.0 0 0.0 11 57
44 A 47 ASN N T T 4 3 TS+ 0 0 -98.0 -3.7 177.8 50.6 118.3 65.8 0 0.0 0 0.0 0 0.0 0 0.0 14 45
45 A 48 ILE I T g 4 X TS+ 0 0 -99.1 -44.2 178.3 62.5 97.9 38.3 42 -1.7 48 -1.5 0 0.0 0 0.0 12 59
46 A 49 MET M G G < > TS+ 0 0 -54.4 -37.8 178.1 67.3 91.1 32.0 42 -3.0 49 -2.2 0 0.0 0 0.0 11 60
47 A 50 PRO P G G > TS+ 0 0 -51.5 -32.0 -179.4 65.3 90.5 37.4 0 0.0 50 -1.8 0 0.0 0 0.0 9 48
48 A 51 HIS H G G < TS+ 0 0 -61.8 -21.6 -174.5 52.6 99.3 43.8 45 -1.5 0 0.0 0 0.0 0 0.0 11 40
49 A 52 CYS C G G > X TS+ 0 0 -102.9 14.2 176.4 142.5 76.2 75.4 46 -2.2 52 -2.3 0 0.0 53 -0.5 12 50
50 A 53 ALA A T g 4 < TS+ 0 0 -54.2 138.3 -177.6 11.6 75.3 106.4 47 -1.8 0 0.0 0 0.0 0 0.0 9 40
51 A 54 GLY G T T 4 3 TS+ 0 0 79.1 -14.0 -171.0 93.9 106.0 74.4 0 0.0 0 0.0 0 0.0 0 0.0 7 34
52 A 55 LEU L T T 4 < TS- 0 0 -93.2 -10.0 179.6 -47.8 97.8 50.7 49 -2.3 0 0.0 0 0.0 0 0.0 9 42
53 A 56 GLY G S t < TS- 0 0 170.0 -171.8 179.5 -44.1 80.4 166.4 49 -0.5 55 -0.7 0 0.0 0 0.0 12 47
54 A 57 ARG R E E A c - 0 28 -87.3 113.5 -170.8 -145.1 57.2 143.0 27 -1.7 29 -2.9 0 0.0 56 -0.6 13 47
55 A 58 LEU L E E ABc + 23 29 -92.7 115.3 -170.6 176.1 25.1 136.2 23 -3.2 23 -2.5 53 -0.7 0 0.0 16 57
56 A 59 ILE I E E ABc + 22 30 -127.5 137.0 175.9 173.1 16.7 161.8 29 -2.9 31 -3.2 54 -0.6 0 0.0 12 64
57 A 60 ALA A E E ABc - 21 31 -143.7 111.1 -178.2 -160.6 16.2 150.4 21 -2.2 21 -2.4 0 0.0 0 0.0 13 72
58 A 61 CYS C E E ABc - 20 32 -92.1 148.9 172.1 -130.3 16.2 128.7 31 -0.5 60 -0.6 0 0.0 33 -0.5 13 71
59 A 62 ASP D e - 0 0 -92.9 119.7 176.5 -121.1 31.9 149.4 19 -3.1 0 0.0 0 0.0 0 0.0 15 73
60 A 63 LEU L t > T - 0 0 -54.6 153.1 -179.1 -78.8 44.9 102.9 58 -0.6 63 -2.3 0 0.0 0 0.0 14 73
61 A 64 ILE I T T 3 TS+ 0 0 -57.2 139.1 177.5 17.3 121.8 106.0 0 0.0 0 0.0 0 0.0 0 0.0 13 64
62 A 65 GLY G T T 3 TS+ 0 0 81.7 -4.2 -177.0 92.6 115.1 65.6 67 -1.9 0 0.0 0 0.0 0 0.0 13 69
63 A 66 MET M S t X TS- 0 0 -121.7 162.6 -179.7 -10.0 85.3 142.1 60 -2.3 66 -2.5 0 0.0 0 0.0 14 64
64 A 67 GLY G T T 3 TS- 0 0 51.2 -129.6 179.2 -26.0 129.5 104.3 0 0.0 0 0.0 0 0.0 0 0.0 14 58
65 A 68 ASP D T T 3 TS+ 0 0 -96.7 10.0 178.7 115.9 109.1 75.1 0 0.0 0 0.0 0 0.0 0 0.0 10 47
66 A 69 SER S S t < TS- 0 0 -78.7 148.9 -177.9 -94.5 75.5 120.8 63 -2.5 0 0.0 0 0.0 0 0.0 13 55
67 A 70 ASP D - 0 0 -63.0 150.1 165.3 -115.5 34.6 103.8 17 -3.0 62 -1.9 16 -0.5 0 0.0 10 44
68 A 71 LYS K - 0 0 -71.5 148.3 173.2 -115.7 29.0 122.6 0 0.0 0 0.0 0 0.0 0 0.0 10 51
69 A 72 LEU L - 0 0 -81.0 126.9 172.3 -127.4 38.9 136.6 0 0.0 0 0.0 0 0.0 0 0.0 10 45
70 A 73 ASP D S S S+ 0 0 -124.1 146.6 -2.4 35.3 88.5 169.5 0 0.0 0 0.0 0 0.0 0 0.0 4 29
71 A 74 PRO P S S S- 0 0 -79.1 132.6 -179.4 -171.7 88.1 62.6 0 0.0 0 0.0 0 0.0 0 0.0 4 22
72 A 75 SER S + 0 0 -92.1 158.4 -179.4 132.1 19.0 123.4 0 0.0 0 0.0 0 0.0 0 0.0 10 32
73 A 76 GLY G S t > TS- 0 0 -179.5 -173.6 -175.4 -56.6 70.6 164.3 0 0.0 76 -2.1 0 0.0 0 0.0 7 31
74 A 77 PRO P T T 3 TS+ 0 0 -63.5 -14.3 -179.5 55.1 128.7 50.6 0 0.0 0 0.0 0 0.0 0 0.0 6 41
75 A 78 GLU E T T 3 TS+ 0 0 -95.5 -3.2 -173.3 90.4 93.4 57.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
76 A 79 ARG R S t < TS+ 0 0 -95.3 152.5 173.8 25.6 77.5 125.4 73 -2.1 0 0.0 0 0.0 0 0.0 11 37
77 A 80 TYR Y S S S+ 0 0 70.7 29.0 168.9 156.6 75.0 41.1 0 0.0 0 0.0 0 0.0 0 0.0 14 49
78 A 81 ALA A h > T - 0 0 -70.8 166.5 179.7 -95.7 61.0 111.2 0 0.0 82 -2.3 0 0.0 0 0.0 10 50
79 A 82 TYR Y H H > TS+ 0 0 -49.4 -50.2 -173.7 53.9 124.3 27.7 0 0.0 83 -2.4 0 0.0 0 0.0 9 55
80 A 83 ALA A H H > TS+ 0 0 -59.0 -36.4 -179.2 48.5 108.5 31.3 0 0.0 84 -2.1 0 0.0 0 0.0 7 43
81 A 84 GLU E H H > TS+ 0 0 -71.6 -41.3 177.6 49.9 110.6 21.3 0 0.0 85 -2.2 0 0.0 0 0.0 9 48
82 A 85 HIS H H H X TS+ 0 0 -59.8 -39.1 -178.6 52.0 110.5 25.2 78 -2.3 86 -3.1 0 0.0 0 0.0 11 64
83 A 86 ARG R H H X TS+ 0 0 -65.2 -41.7 177.6 55.2 105.1 28.1 79 -2.4 87 -3.2 0 0.0 0 0.0 9 50
84 A 87 ASP D H H X TS+ 0 0 -57.8 -45.9 -177.9 39.7 114.4 19.6 80 -2.1 88 -1.5 0 0.0 0 0.0 8 38
85 A 88 TYR Y H H X TS+ 0 0 -70.6 -42.2 -173.5 46.7 118.2 20.7 81 -2.2 89 -2.2 0 0.0 0 0.0 12 47
86 A 89 LEU L H H X TS+ 0 0 -70.9 -38.9 176.3 52.2 109.8 25.4 82 -3.1 90 -2.9 0 0.0 0 0.0 10 64
87 A 90 ASP D H H X TS+ 0 0 -55.3 -44.5 -173.7 47.5 112.4 23.7 83 -3.2 91 -2.3 0 0.0 0 0.0 9 49
88 A 91 ALA A H H X TS+ 0 0 -68.5 -36.6 177.5 49.1 112.1 27.2 84 -1.5 92 -2.2 0 0.0 0 0.0 10 38
89 A 92 LEU L H H X TS+ 0 0 -65.5 -48.8 -179.2 49.0 110.9 19.2 85 -2.2 93 -1.8 0 0.0 0 0.0 11 47
90 A 93 TRP W H H < >TS+ 0 0 -63.4 -34.5 172.4 50.6 111.6 29.2 86 -2.9 95 -0.7 0 0.0 0 0.0 9 57
91 A 94 GLU E H H < >5TS+ 0 0 -62.8 -44.3 -179.1 51.2 109.5 22.4 87 -2.3 94 -1.3 0 0.0 0 0.0 8 35
92 A 95 ALA A H H < 35TS+ 0 0 -64.2 -29.2 -175.5 60.9 101.6 36.5 88 -2.2 0 0.0 0 0.0 0 0.0 6 33
93 A 96 LEU L T h < 35TS- 0 0 -80.9 -4.0 175.0 -133.8 101.0 57.0 89 -1.8 0 0.0 0 0.0 0 0.0 6 42
94 A 97 ASP D T T <5T + 0 0 52.9 65.1 -172.2 178.9 32.3 15.2 91 -1.3 0 0.0 0 0.0 0 0.0 6 36
95 A 98 LEU L t A e> T - 0 128 -143.1 142.6 166.9 -34.3 58.2 173.0 32 -1.6 107 -2.2 0 0.0 108 -0.6 13 72
105 A 108 ASP D H H > > TS- 0 0 52.9 -128.1 179.1 -1.3 132.7 97.2 129 -1.8 109 -1.6 128 -0.7 108 -1.1 13 75
106 A 109 TRP W H H > 3 TS+ 0 0 -69.4 -20.9 174.8 66.2 130.7 39.1 0 0.0 110 -2.6 0 0.0 0 0.0 12 71
107 A 110 GLY G H H > < TS+ 0 0 -62.9 -29.4 178.7 49.7 102.4 35.4 104 -2.2 111 -2.5 0 0.0 0 0.0 12 78
108 A 111 SER S H H X < TS+ 0 0 -77.5 -41.1 175.9 49.7 108.5 27.8 105 -1.1 112 -3.3 104 -0.6 0 0.0 17 74
109 A 112 ALA A H H X TS+ 0 0 -59.6 -44.4 179.3 41.7 117.8 16.0 105 -1.6 113 -1.9 0 0.0 0 0.0 12 68
110 A 113 LEU L H H X TS+ 0 0 -67.0 -44.7 -178.7 44.0 119.2 22.0 106 -2.6 114 -2.5 0 0.0 0 0.0 9 71
111 A 114 GLY G H H X TS+ 0 0 -71.6 -37.9 177.0 50.7 112.5 25.9 107 -2.5 115 -2.9 0 0.0 0 0.0 11 71
112 A 115 PHE F H H X TS+ 0 0 -60.0 -42.5 -179.9 46.0 114.4 21.5 108 -3.3 116 -2.7 0 0.0 0 0.0 10 70
113 A 116 ASP D H H X TS+ 0 0 -65.0 -45.1 176.7 49.2 112.4 21.0 109 -1.9 117 -2.1 0 0.0 0 0.0 11 59
114 A 117 TRP W H H X TS+ 0 0 -59.0 -42.9 179.0 51.1 111.7 21.4 110 -2.5 118 -1.3 0 0.0 0 0.0 10 60
115 A 118 ALA A H H < > TS+ 0 0 -61.5 -45.4 178.7 51.1 107.5 22.0 111 -2.9 118 -0.5 0 0.0 0 0.0 10 58
116 A 119 ARG R H H < > TS+ 0 0 -56.8 -41.1 -177.5 44.4 115.1 26.7 112 -2.7 119 -0.7 0 0.0 0 0.0 10 43
117 A 120 ARG R H H < 3 TS+ 0 0 -80.3 -15.9 179.0 29.2 127.2 52.6 113 -2.1 0 0.0 0 0.0 0 0.0 6 39
118 A 121 HIS H G h < X TS+ 0 0 -135.3 46.6 -168.2 149.1 74.3 99.5 114 -1.3 121 -2.4 115 -0.5 0 0.0 8 35
119 A 122 ARG R G T X T + 0 0 -59.2 -31.1 -176.1 61.2 66.5 41.1 116 -0.7 122 -1.4 0 0.0 0 0.0 8 36
120 A 123 GLU E G T 3 TS+ 0 0 -71.7 -11.8 -175.5 52.0 103.8 49.3 0 0.0 0 0.0 0 0.0 0 0.0 6 28
121 A 124 ARG R G e < TS+ 0 0 -102.1 1.5 -174.5 96.4 87.5 64.0 118 -2.4 99 -3.0 0 0.0 123 -0.7 10 35
122 A 125 VAL V E E Ae < T + 99 0 -103.6 112.7 179.0 176.7 41.6 148.2 119 -1.4 0 0.0 0 0.0 0 0.0 14 50
123 A 126 GLN Q E E A* - 0 0 -79.8 -31.8 -179.6 -19.9 69.3 38.2 99 -2.5 0 0.0 121 -0.7 0 0.0 12 51
124 A 127 GLY G E E Ae - 100 0 -172.5 160.0 -179.5 -137.2 54.0 167.2 99 -1.3 101 -2.4 0 0.0 0 0.0 12 61
125 A 128 ILE I E E Aef - 101 235 -133.7 117.5 171.7 -172.9 10.7 166.5 234 -1.9 236 -2.5 0 0.0 0 0.0 13 75
126 A 129 ALA A E E Aef + 102 236 -105.3 129.9 -175.9 173.1 21.2 161.5 101 -3.3 103 -2.6 0 0.0 0 0.0 13 79
127 A 130 TYR Y E E Aef + 103 237 -139.5 154.7 178.4 178.4 15.3 164.5 236 -2.8 238 -2.8 0 0.0 0 0.0 14 83
128 A 131 MET M E E Ae - 104 0 -153.0 144.3 174.6 -0.4 69.1 165.0 103 -1.5 105 -0.7 0 0.0 0 0.0 12 74
129 A 132 GLU E S S S+ 0 0 42.2 58.3 -165.9 165.9 94.1 26.3 0 0.0 105 -1.8 0 0.0 0 0.0 16 73
130 A 133 ALA A - 0 0 -104.9 169.0 171.9 -113.4 55.2 121.2 0 0.0 132 -1.1 0 0.0 0 0.0 14 72
131 A 134 ILE I + 0 0 -100.9 86.7 -164.9 163.2 49.2 140.1 0 0.0 0 0.0 0 0.0 0 0.0 13 76
132 A 135 ALA A - 0 0 -87.8 -14.8 -178.9 -9.2 58.5 50.1 130 -1.1 0 0.0 0 0.0 0 0.0 12 70
133 A 136 MET M S S S- 0 0 -166.4 164.3 171.3 -72.2 86.3 164.1 0 0.0 0 0.0 0 0.0 0 0.0 11 61
134 A 137 PRO P - 0 0 -62.5 143.0 180.0 -167.2 57.6 112.9 0 0.0 0 0.0 0 0.0 0 0.0 13 54
135 A 138 ILE I B B a - 210 0 -127.8 176.6 174.0 -123.0 18.3 140.6 209 -2.7 211 -2.2 0 0.0 212 -0.5 11 51
136 A 139 GLU E g > > T - 0 0 -111.8 164.5 -178.8 -102.9 37.3 135.5 0 0.0 139 -1.9 0 0.0 140 -0.6 9 40
137 A 140 TRP W G G 4 > TS+ 0 0 -60.3 -33.6 174.8 62.5 121.2 28.9 0 0.0 140 -1.4 0 0.0 0 0.0 8 38
138 A 141 ALA A G G 4 3 TS+ 0 0 -59.9 -21.4 178.4 52.7 101.9 45.3 0 0.0 0 0.0 0 0.0 0 0.0 6 29
139 A 142 ASP D G G 4 < TS+ 0 0 -87.1 -13.7 -175.7 97.5 87.6 55.9 136 -1.9 0 0.0 0 0.0 0 0.0 10 36
140 A 143 PHE F S g < < TS- 0 0 -80.0 135.4 -175.5 -95.5 93.9 129.5 137 -1.4 0 0.0 136 -0.6 0 0.0 10 47
141 A 144 PRO P h > > T - 0 0 -56.3 137.1 -171.5 -134.2 31.0 101.9 0 0.0 145 -0.7 0 0.0 144 -0.6 9 41
142 A 145 GLU E H H > > TS+ 0 0 -64.1 -34.9 -172.8 69.3 94.6 34.4 0 0.0 145 -0.7 0 0.0 146 -0.5 7 29
143 A 146 GLN Q H H 4 3 TS+ 0 0 -57.5 -40.6 -175.2 19.9 117.8 27.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28
144 A 147 ASP D H H > < TS+ 0 0 -114.7 12.1 -178.8 107.2 92.5 71.1 141 -0.6 148 -2.8 0 0.0 0 0.0 8 39
145 A 148 ARG R H H X < TS+ 0 0 -55.1 -53.0 -179.5 45.1 83.4 21.5 141 -0.7 149 -2.3 142 -0.7 0 0.0 10 34
146 A 149 ASP D H H X TS+ 0 0 -61.3 -37.4 179.7 52.4 112.9 28.2 142 -0.5 150 -2.2 0 0.0 0 0.0 8 28
147 A 150 LEU L H H > TS+ 0 0 -63.6 -44.0 178.9 47.0 110.2 22.9 0 0.0 151 -2.3 0 0.0 0 0.0 7 40
148 A 151 PHE F H H X TS+ 0 0 -69.8 -32.4 172.7 53.9 109.4 30.5 144 -2.8 152 -1.7 0 0.0 0 0.0 9 50
149 A 152 GLN Q H H < TS+ 0 0 -62.9 -38.8 179.4 50.5 108.9 21.4 145 -2.3 0 0.0 0 0.0 0 0.0 8 41
150 A 153 ALA A H H < > TS+ 0 0 -66.1 -38.3 174.4 55.2 105.1 26.7 146 -2.2 153 -1.4 0 0.0 0 0.0 10 36
151 A 154 PHE F H H < 3 TS+ 0 0 -55.3 -40.1 -179.7 54.6 105.5 26.1 147 -2.3 0 0.0 0 0.0 0 0.0 15 45
152 A 155 ARG R T h < 3 TS+ 0 0 -85.3 29.9 177.5 67.1 106.7 96.9 148 -1.7 0 0.0 0 0.0 0 0.0 10 41
153 A 156 SER S S t X TS- 0 0 -136.2 177.3 176.7 -86.3 107.3 148.7 150 -1.4 156 -2.3 0 0.0 0 0.0 7 27
154 A 157 GLN Q T T > TS+ 0 0 -63.2 -13.4 179.6 70.4 121.3 46.0 0 0.0 157 -0.6 0 0.0 0 0.0 7 24
155 A 158 ALA A T h > 3 TS+ 0 0 -76.7 -10.2 -174.6 86.6 75.6 51.8 0 0.0 159 -2.1 0 0.0 0 0.0 9 28
156 A 159 GLY G H H > <>TS+ 0 0 -60.6 -35.5 -172.7 57.8 80.0 32.3 153 -2.3 160 -2.9 0 0.0 161 -0.6 12 41
157 A 160 GLU E H H > <>TS+ 0 0 -66.9 -41.5 -179.3 42.5 109.9 18.8 154 -0.6 162 -1.9 0 0.0 161 -1.0 10 40
158 A 161 GLU E H H 4 >TS+ 0 0 -68.7 -41.5 -180.0 50.3 115.5 16.5 0 0.0 163 -1.9 0 0.0 0 0.0 8 35
159 A 162 LEU L H H < 5TS+ 0 0 -57.5 -45.8 -170.2 16.4 129.8 19.5 155 -2.1 165 -2.3 0 0.0 0 0.0 11 43
160 A 163 VAL V H H X 5TS+ 0 0 -101.5 -53.3 -178.8 40.4 128.8 21.2 156 -2.9 164 -1.6 0 0.0 0 0.0 15 46
161 A 164 LEU L T h < >T + 0 0 -61.9 -32.8 -176.6 56.3 65.5 36.6 159 -2.3 169 -2.5 0 0.0 170 -2.2 9 49
166 A 169 PHE F H H 4 >TS+ 0 0 -68.9 -46.3 175.5 34.5 116.6 13.5 0 0.0 171 -2.3 0 0.0 0 0.0 11 60
167 A 170 VAL V H H 4 5TS+ 0 0 -65.9 -43.1 -168.0 36.1 128.2 27.3 0 0.0 0 0.0 0 0.0 0 0.0 13 60
168 A 171 GLU E H H < 5TS+ 0 0 -93.4 -19.7 -177.6 16.4 132.6 41.8 164 -2.8 0 0.0 0 0.0 0 0.0 9 43
169 A 172 GLN Q T h X 5TS+ 0 0 -116.5 -52.6 -175.5 42.2 125.4 42.2 165 -2.5 173 -1.7 0 0.0 0 0.0 9 43
170 A 173 VAL V H H > TS+ 0 0 -63.0 -29.5 -174.4 61.4 113.2 27.0 0 0.0 175 -1.6 0 0.0 0 0.0 11 39
173 A 176 GLY G H H < 3 TS+ 0 0 -71.9 -13.7 -179.9 48.0 105.0 46.3 169 -1.7 0 0.0 0 0.0 0 0.0 7 40
174 A 177 LEU L T h < < TS+ 0 0 -115.4 28.1 172.5 82.9 96.6 88.8 171 -1.4 270 -1.8 170 -1.0 269 -1.3 10 51
175 A 178 ILE I t < T - 0 0 -125.4 127.1 -170.6 -152.7 66.4 178.3 172 -1.6 0 0.0 0 0.0 0 0.0 14 43
176 A 179 LEU L S S S+ 0 0 -77.9 -32.8 177.3 55.7 75.5 34.6 0 0.0 0 0.0 0 0.0 0 0.0 9 29
177 A 180 ARG R S S S- 0 0 -98.0 153.2 179.5 -93.6 97.0 134.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30
178 A 181 PRO P - 0 0 -67.5 133.4 171.0 -134.2 36.7 114.5 0 0.0 0 0.0 0 0.0 0 0.0 6 29
179 A 182 LEU L - 0 0 -79.5 149.4 179.6 -119.2 20.3 123.0 0 0.0 0 0.0 0 0.0 0 0.0 7 36
180 A 183 SER S h > T - 0 0 -83.2 169.4 177.5 -104.9 26.4 110.7 0 0.0 184 -2.5 0 0.0 0 0.0 7 25
181 A 184 GLU E H H > TS+ 0 0 -58.5 -45.4 -178.3 48.1 122.7 24.8 0 0.0 185 -2.3 0 0.0 0 0.0 6 20
182 A 185 ALA A H H > TS+ 0 0 -65.8 -38.6 180.0 52.9 109.4 29.6 0 0.0 186 -2.2 0 0.0 0 0.0 7 22
183 A 186 GLU E H H > TS+ 0 0 -64.4 -47.0 176.4 44.4 112.0 16.9 0 0.0 187 -1.9 0 0.0 0 0.0 9 39
184 A 187 MET M H H X TS+ 0 0 -63.3 -37.3 179.3 56.6 110.0 27.1 180 -2.5 188 -2.6 0 0.0 0 0.0 9 41
185 A 188 ALA A H H X TS+ 0 0 -60.7 -40.9 177.9 50.1 106.3 22.9 181 -2.3 189 -2.0 0 0.0 0 0.0 8 33
186 A 189 ALA A H H < TS+ 0 0 -63.8 -38.2 -178.8 45.7 113.1 25.4 182 -2.2 0 0.0 0 0.0 0 0.0 9 42
187 A 190 TYR Y H H < TS+ 0 0 -74.3 -30.5 -177.4 43.5 117.2 29.5 183 -1.9 0 0.0 0 0.0 0 0.0 14 56
188 A 191 ARG R H H < > TS+ 0 0 -83.0 -20.9 -170.9 88.6 90.5 39.0 184 -2.6 191 -2.7 0 0.0 0 0.0 10 48
189 A 192 GLU E G h < > TS+ 0 0 -51.4 -44.9 -179.4 48.1 86.5 35.5 185 -2.0 192 -1.2 0 0.0 0 0.0 8 41
190 A 193 PRO P G G 3 TS+ 0 0 -67.8 -7.0 -167.7 42.4 120.2 51.7 0 0.0 0 0.0 0 0.0 0 0.0 12 49
191 A 194 PHE F G G < TS+ 0 0 -132.3 26.3 -178.8 117.7 71.2 93.4 188 -2.7 0 0.0 0 0.0 0 0.0 11 49
192 A 195 LEU L g < T + 0 0 -68.0 -33.7 -178.4 72.3 65.8 32.8 189 -1.2 0 0.0 0 0.0 0 0.0 7 33
193 A 196 ALA A S S S- 0 0 -89.1 131.7 174.3 -126.7 83.8 134.5 0 0.0 0 0.0 0 0.0 0 0.0 6 34
194 A 197 ALA A S S S+ 0 0 -65.0 157.1 176.9 32.8 72.9 109.5 0 0.0 0 0.0 0 0.0 0 0.0 11 31
195 A 198 GLY G S g > TS- 0 0 96.9 -147.9 -168.8 -1.9 119.4 132.0 161 -2.3 198 -2.4 0 0.0 0 0.0 8 37
196 A 199 GLU E G G > TS+ 0 0 -60.7 -21.9 174.1 76.4 114.3 46.9 0 0.0 199 -1.8 0 0.0 0 0.0 8 41
197 A 200 ALA A G G 3 TS+ 0 0 -51.8 -33.9 -177.7 45.8 101.1 36.7 0 0.0 0 0.0 0 0.0 0 0.0 13 49
198 A 201 ARG R G h > X TS+ 0 0 -89.5 -2.8 -177.0 105.5 81.4 66.5 195 -2.4 201 -1.5 0 0.0 202 -0.6 14 60
199 A 202 ARG R H H > X TS+ 0 0 -52.3 -39.5 177.1 61.1 70.6 32.3 196 -1.8 203 -3.3 0 0.0 202 -1.6 15 60
200 A 203 PRO P H H > 3 TS+ 0 0 -55.4 -32.0 -175.7 56.1 101.0 30.8 0 0.0 204 -1.9 0 0.0 0 0.0 13 70
201 A 204 THR T H H 4 < TS+ 0 0 -80.2 -10.5 170.4 37.7 115.0 49.8 198 -1.5 0 0.0 0 0.0 0 0.0 12 70
202 A 205 LEU L H H X < TS+ 0 0 -98.7 -41.8 178.2 54.8 112.7 42.0 199 -1.6 206 -1.4 198 -0.6 0 0.0 14 59
203 A 206 SER S H H X TS+ 0 0 -59.2 -36.4 -176.3 60.9 102.7 26.0 199 -3.3 207 -0.6 0 0.0 0 0.0 12 62
204 A 207 TRP W H H X > TS+ 0 0 -61.7 -52.1 -178.5 44.3 103.4 16.7 200 -1.9 207 -2.0 0 0.0 208 -0.7 13 68
205 A 208 PRO P H H 4 > TS+ 0 0 -61.5 -26.8 178.3 58.6 110.6 33.2 0 0.0 208 -0.7 0 0.0 0 0.0 10 68
206 A 209 ARG R H H < 3 TS+ 0 0 -73.1 -11.9 -177.4 52.3 104.2 51.5 202 -1.4 0 0.0 0 0.0 0 0.0 9 59
207 A 210 GLN Q H H < < TS+ 0 0 -99.1 -9.3 -174.7 120.7 76.3 55.4 204 -2.0 0 0.0 203 -0.6 0 0.0 11 58
208 A 211 ILE I S h < < TS- 0 0 -62.8 130.2 -175.7 -118.6 73.5 109.7 204 -0.7 210 -1.8 205 -0.7 0 0.0 12 62
209 A 212 PRO P + 0 0 -72.8 89.7 -175.5 148.7 59.2 119.5 0 0.0 135 -2.7 0 0.0 0 0.0 14 50
210 A 213 ILE I B B aB> T - 135 213 -128.3 131.0 178.5 -6.6 64.1 175.3 213 -1.9 213 -1.6 208 -1.8 0 0.0 11 50
211 A 214 ALA A T T 3 TS- 0 0 53.0 37.6 170.3 -57.2 128.1 33.4 135 -2.2 0 0.0 0 0.0 0 0.0 8 32
212 A 215 GLY G T T 3 TS+ 0 0 83.0 -1.4 -176.8 145.1 99.5 63.5 135 -0.5 0 0.0 0 0.0 0 0.0 10 29
213 A 216 THR T B B B < T + 210 0 -128.0 139.9 -3.8 28.5 54.6 167.1 210 -1.6 210 -1.9 0 0.0 0 0.0 11 33
214 A 217 PRO P S h > TS- 0 0 -74.1 142.2 -172.3 -158.5 79.2 57.5 0 0.0 218 -2.3 0 0.0 0 0.0 11 37
215 A 218 ALA A H H > TS+ 0 0 -66.4 -26.2 -177.4 57.3 85.0 37.6 0 0.0 219 -2.2 0 0.0 0 0.0 8 25
216 A 219 ASP D H H > TS+ 0 0 -70.5 -43.4 179.6 42.1 111.2 17.7 0 0.0 220 -2.2 0 0.0 0 0.0 7 32
217 A 220 VAL V H H > TS+ 0 0 -70.0 -33.6 174.4 56.1 111.5 30.4 0 0.0 221 -2.8 0 0.0 0 0.0 12 47
218 A 221 VAL V H H X TS+ 0 0 -58.5 -43.2 -178.8 47.4 109.4 18.4 214 -2.3 222 -2.5 0 0.0 0 0.0 15 37
219 A 222 ALA A H H X TS+ 0 0 -63.1 -44.8 -179.1 47.4 112.9 23.9 215 -2.2 223 -2.2 0 0.0 0 0.0 8 33
220 A 223 ILE I H H X TS+ 0 0 -63.9 -45.3 179.5 45.6 114.6 21.7 216 -2.2 224 -2.4 0 0.0 0 0.0 9 44
221 A 224 ALA A H H X TS+ 0 0 -69.7 -34.3 175.4 54.5 110.1 31.0 217 -2.8 225 -2.4 0 0.0 0 0.0 15 48
222 A 225 ARG R H H X TS+ 0 0 -61.2 -39.2 -178.4 50.5 109.6 22.0 218 -2.5 226 -2.2 0 0.0 0 0.0 10 42
223 A 226 ASP D H H X TS+ 0 0 -65.6 -48.9 -177.6 40.3 113.9 21.9 219 -2.2 227 -2.2 0 0.0 0 0.0 8 36
224 A 227 TYR Y H H X TS+ 0 0 -74.1 -27.0 178.5 56.4 112.9 33.3 220 -2.4 228 -3.1 0 0.0 0 0.0 13 49
225 A 228 ALA A H H X TS+ 0 0 -64.9 -44.8 -178.5 45.0 109.9 19.4 221 -2.4 229 -1.9 0 0.0 0 0.0 10 48
226 A 229 GLY G H H X TS+ 0 0 -63.5 -42.5 179.7 46.7 116.5 19.2 222 -2.2 230 -0.5 0 0.0 0 0.0 8 35
227 A 230 TRP W H H X > TS+ 0 0 -63.4 -47.6 -175.5 49.1 111.6 17.8 223 -2.2 231 -1.9 0 0.0 230 -1.5 9 40
228 A 231 LEU L H H < 3 TS+ 0 0 -63.4 -31.9 -177.0 61.7 103.6 32.1 224 -3.1 0 0.0 0 0.0 0 0.0 11 55
229 A 232 SER S H H < 3 TS+ 0 0 -69.5 -14.9 179.7 29.3 118.1 45.2 225 -1.9 0 0.0 0 0.0 0 0.0 10 40
230 A 233 GLU E H H < < TS+ 0 0 -115.2 -18.4 -170.4 109.8 92.7 53.3 227 -1.5 0 0.0 226 -0.5 0 0.0 8 29
231 A 234 SER S h < T - 0 0 -69.8 134.4 174.6 -152.6 53.8 112.1 227 -1.9 0 0.0 0 0.0 0 0.0 8 38
232 A 235 PRO P + 0 0 -84.2 8.3 178.1 127.8 54.2 69.9 0 0.0 0 0.0 0 0.0 0 0.0 6 33
233 A 236 ILE I S S S- 0 0 -61.8 135.1 178.0 -99.2 73.8 114.2 0 0.0 0 0.0 0 0.0 0 0.0 10 47
234 A 237 PRO P e - 0 0 -56.8 136.8 178.5 -166.7 47.1 110.4 0 0.0 125 -1.9 0 0.0 0 0.0 10 48
235 A 238 LYS K E E Afg - 125 260 -127.5 150.4 170.7 -156.7 20.3 161.9 259 -2.5 261 -2.4 0 0.0 0 0.0 12 59
236 A 239 LEU L E E Afg - 126 261 -123.0 111.9 174.4 -162.6 12.1 166.5 125 -2.5 127 -2.8 0 0.0 238 -0.8 14 60
237 A 240 PHE F E E Afg - 127 262 -93.8 112.0 171.7 -162.7 1.6 147.1 261 -3.4 263 -2.2 0 0.0 239 -1.1 12 62
238 A 241 ILE I E E A g - 0 263 -95.4 98.7 179.6 -163.2 15.7 143.4 127 -2.8 0 0.0 236 -0.8 0 0.0 13 67
239 A 242 ASN N E E A g - 0 264 -76.5 150.5 179.5 -141.4 5.4 117.3 263 -2.9 265 -2.6 237 -1.1 0 0.0 12 56
240 A 243 ALA A E E A g - 0 265 -120.5 148.1 173.2 -119.3 9.4 158.0 0 0.0 0 0.0 0 0.0 0 0.0 16 51
241 A 244 GLU E E E A g S- 0 266 -123.0 117.3 3.0 -3.1 106.0 173.1 265 -2.0 267 -2.4 0 0.0 0 0.0 9 37
242 A 245 PRO P E E A g S+ 0 267 -73.4 -17.6 -173.2 172.1 101.9 167.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
243 A 246 GLY G e - 0 0 69.0 -173.1 -177.1 -146.3 21.7 100.8 267 -3.4 0 0.0 0 0.0 0 0.0 14 52
244 A 247 ALA A S S S+ 0 0 -153.7 -67.5 -178.4 26.2 77.7 74.1 0 0.0 0 0.0 0 0.0 0 0.0 10 51
245 A 248 LEU L S S S+ 0 0 -79.7 -43.0 -178.3 55.5 116.5 25.1 0 0.0 247 -1.5 0 0.0 0 0.0 11 61
246 A 249 THR T S S S+ 0 0 -95.0 72.9 176.6 99.5 89.2 124.0 0 0.0 0 0.0 0 0.0 0 0.0 14 60
247 A 250 THR T S h > > TS+ 0 0 -134.8 -179.1 173.7 12.9 70.2 139.3 245 -1.5 251 -1.5 0 0.0 250 -1.1 10 50
248 A 251 GLY G H H > 3 TS- 0 0 50.8 -136.1 -176.2 -1.3 129.7 94.0 0 0.0 252 -2.6 0 0.0 0 0.0 7 33
249 A 252 ARG R H H > 3 TS+ 0 0 -57.2 -40.7 -175.8 52.9 135.3 33.5 0 0.0 253 -2.2 0 0.0 0 0.0 7 33
250 A 253 MET M H H > < TS+ 0 0 -68.1 -40.7 176.5 45.9 111.1 22.8 247 -1.1 254 -3.1 0 0.0 0 0.0 13 49
251 A 254 ARG R H H X TS+ 0 0 -63.4 -40.6 176.2 54.1 110.8 23.3 247 -1.5 255 -2.3 0 0.0 0 0.0 9 47
252 A 255 ASP D H H < TS+ 0 0 -56.2 -41.8 -178.5 46.3 111.2 26.6 248 -2.6 0 0.0 0 0.0 0 0.0 9 34
253 A 256 PHE F H H < > TS+ 0 0 -70.0 -47.4 177.0 51.5 110.3 21.4 249 -2.2 256 -1.9 0 0.0 0 0.0 8 42
254 A 257 CYS C H H < > TS+ 0 0 -56.1 -35.0 -176.3 62.0 101.6 30.3 250 -3.1 257 -1.7 0 0.0 0 0.0 10 57
255 A 258 ARG R T h < 3 TS+ 0 0 -69.9 -8.2 179.2 61.9 96.3 54.0 251 -2.3 0 0.0 0 0.0 0 0.0 6 40
256 A 259 THR T T T < TS+ 0 0 -89.4 -8.0 -170.7 115.4 77.9 57.8 253 -1.9 0 0.0 0 0.0 0 0.0 7 34
257 A 260 TRP W t < T - 0 0 -74.8 139.6 -175.3 -113.3 67.9 111.9 254 -1.7 0 0.0 0 0.0 0 0.0 11 39
258 A 261 PRO P S S S+ 0 0 -73.3 158.2 173.6 13.4 86.3 101.8 0 0.0 0 0.0 0 0.0 0 0.0 12 30
259 A 262 ASN N S e S+ 0 0 52.9 47.7 -169.3 151.6 91.3 28.4 0 0.0 235 -2.5 0 0.0 0 0.0 8 31
260 A 263 GLN Q E E Ag - 235 0 -122.2 133.8 170.0 -159.1 38.3 157.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41
261 A 264 THR T E E Ag - 236 0 -98.4 141.9 -178.4 -160.5 18.6 143.8 235 -2.4 237 -3.4 0 0.0 0 0.0 7 41
262 A 265 GLU E E E Ag + 237 0 -130.4 135.2 164.6 173.5 15.6 172.7 0 0.0 0 0.0 0 0.0 0 0.0 8 43
263 A 266 ILE I E E Ag - 238 0 -126.2 160.1 176.5 -137.7 22.8 159.6 237 -2.2 239 -2.9 0 0.0 0 0.0 9 41
264 A 267 THR T E E Ag - 239 0 -117.0 128.1 175.3 -179.4 22.0 167.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40
265 A 268 VAL V E E Ag - 240 0 -117.9 160.7 175.7 -94.0 37.0 148.1 239 -2.6 241 -2.0 0 0.0 0 0.0 12 41
266 A 269 ALA A E E Ag S+ 241 0 -70.6 139.9 -176.7 97.2 73.5 118.5 0 0.0 0 0.0 0 0.0 0 0.0 11 37
267 A 270 GLY G E E Ag - 242 0 155.0 159.0 175.9 -135.9 55.8 146.1 241 -2.4 243 -3.4 0 0.0 0 0.0 16 45
268 A 271 ALA A S S S- 0 0 -105.6 -97.4 174.1 -41.2 80.4 54.1 0 0.0 0 0.0 0 0.0 0 0.0 13 45
269 A 272 HIS H S S S+ 0 0 -100.4 -51.7 -175.7 47.8 135.3 30.8 174 -1.3 271 -2.1 0 0.0 0 0.0 11 63
270 A 273 PHE F g > T + 0 0 -87.2 62.6 -163.9 161.2 69.8 111.9 174 -1.8 273 -2.5 0 0.0 0 0.0 11 71
271 A 274 ILE I G G > > T + 0 0 -69.5 -15.2 175.6 76.9 56.8 45.2 269 -2.1 275 -2.9 0 0.0 274 -1.3 15 64
272 A 275 GLN Q G G 4 3 TS+ 0 0 -59.6 -23.8 -177.9 52.5 94.7 39.0 0 0.0 0 0.0 0 0.0 0 0.0 12 72
273 A 276 GLU E G G 4 < TS+ 0 0 -89.3 -12.2 -178.1 38.7 115.7 52.1 270 -2.5 0 0.0 0 0.0 0 0.0 9 57
274 A 277 ASP D T g 4 < TS+ 0 0 -103.1 -38.7 -176.4 17.4 131.7 33.8 271 -1.3 0 0.0 0 0.0 0 0.0 11 44
275 A 278 SER S h X T + 0 0 -129.1 50.5 -174.3 144.8 69.8 107.8 271 -2.9 279 -2.5 0 0.0 0 0.0 11 44
276 A 279 PRO P H H > TS+ 0 0 -62.6 -33.8 -175.1 47.2 76.3 29.5 0 0.0 280 -2.8 0 0.0 0 0.0 11 56
277 A 280 ASP D H H > TS+ 0 0 -78.6 -37.7 174.9 47.9 112.4 23.7 0 0.0 281 -2.5 0 0.0 0 0.0 9 35
278 A 281 GLU E H H > TS+ 0 0 -60.8 -42.6 -178.5 45.2 117.2 23.8 0 0.0 282 -1.8 0 0.0 0 0.0 8 39
279 A 282 ILE I H H X TS+ 0 0 -69.5 -44.7 178.3 47.3 114.0 20.7 275 -2.5 283 -2.6 0 0.0 0 0.0 12 53
280 A 283 GLY G H H X TS+ 0 0 -61.3 -42.3 -178.4 51.5 110.8 23.9 276 -2.8 284 -3.1 0 0.0 0 0.0 14 55
281 A 284 ALA A H H X TS+ 0 0 -62.9 -40.0 179.7 49.1 111.1 23.8 277 -2.5 285 -2.3 0 0.0 0 0.0 9 40
282 A 285 ALA A H H X TS+ 0 0 -65.8 -43.7 178.2 46.6 112.9 23.3 278 -1.8 286 -2.1 0 0.0 0 0.0 9 51
283 A 286 ILE I H H X TS+ 0 0 -64.9 -45.1 -178.2 50.0 111.8 19.5 279 -2.6 287 -2.9 0 0.0 0 0.0 12 62
284 A 287 ALA A H H X TS+ 0 0 -61.3 -39.7 -179.7 49.8 111.2 27.2 280 -3.1 288 -2.7 0 0.0 0 0.0 11 52
285 A 288 ALA A H H X TS+ 0 0 -64.6 -39.2 177.0 51.0 110.2 25.9 281 -2.3 289 -1.7 0 0.0 0 0.0 8 41
286 A 289 PHE F H H X TS+ 0 0 -59.9 -50.0 179.9 47.1 111.8 18.6 282 -2.1 290 -2.0 0 0.0 0 0.0 9 52
287 A 290 VAL V H H X TS+ 0 0 -65.2 -40.1 177.1 54.4 108.2 22.9 283 -2.9 291 -1.9 0 0.0 0 0.0 10 50
288 A 291 ARG R H H < TS+ 0 0 -59.1 -33.3 -179.5 48.8 110.1 29.0 284 -2.7 0 0.0 0 0.0 0 0.0 10 37
289 A 292 ARG R H H < TS+ 0 0 -73.9 -33.2 -179.3 46.0 113.4 31.1 285 -1.7 0 0.0 0 0.0 0 0.0 7 32
290 A 293 LEU L H H < TS+ 0 0 -78.4 -19.7 -175.3 42.1 119.4 46.1 286 -2.0 0 0.0 0 0.0 0 0.0 8 39
291 A 294 ARG R S h < TS- 0 0 -127.4 63.7 178.6 -162.1 89.5 124.8 287 -1.9 0 0.0 0 0.0 0 0.0 6 33
292 A 295 PRO P 0 0 -70.7 149.3 20.1 999.9 999.9 115.7 0 0.0 0 0.0 0 0.0 0 0.0 5 19
293 A 296 ALA A 0 0 -62.7 999.9 999.9 999.9 999.9 121.9 0 0.0 0 0.0 0 0.0 0 0.0 3 13
1cv2A.pdb
1CV2 HYDROLASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S SS EEE STTS EEEEEESSSSEEEEE TT GGGGTTTGGGGTTTSEEEEE TTSTTS SS STTSS HHHHHHHHHHHHHHTT S EE Kabs/Sand
chirality +-------+-+--+---+-+++-+--------+-+--+++++++++++++---++----++--+----+-+-++++-++++++++++++++-+--++-- chirality
bends S SS SSSS SSSS SS SSSSSSSSSSSSSSS SSSSSS SS SSSSS SSSSSSSSSSSSSSS S bends
turns TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTT TTTT TTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns >33< >33<>>>>33X33< >33< >33< 3-turns
bridge-2 BBBB dddd ccccc ee bridge-2
bridge-1 AAA AAA ccccc BBBB d bridge-1
sheets AAA AAAAAA AAAAA AAAAA AA sheets
4-turns >444< >444< >>>>XXXXXXXX<<<< 4-turns
summary S SS EEE tTTt EEEEEESSSeEEEEEetTTtgGGGGgTgGGGGgTTtEEEEEetTTtTTt SS tTTtShHHHHHHHHHHHHHHhTt S EE summary
sequence GAKPFGEKKFIEIKGRRMAYIDEGTGDPILFQHGNPTSSYLWRNIMPHCAGLGRLIACDLIGMGDSDKLDPSGPERYAYAEHRDYLDALWEALDLGDRVV sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand EEEEHHHHHHHHHHHHHGGGGEEEEEEES S B GGGS HHHHHHHHHHTSTTHHHHHTTT HHHHTHHHHT SS HHHHHHHHGGG SSSGGGHH Kabs/Sand
chirality -+---+++++++++++++++++---++-+-+-----+++--+++++++++++-+++++++++-+++++++++++-+----++++++++++++-+-+++++ chirality
bends SSSSSSSSSSSSSS SS S S SSSS SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSS SS SSSSSSSSSSS SSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTTT turns
5-turns >>>55<<< >>555<< 5-turns
3-turns >>3<< >>3XX3<< >>3<<>>3<< >33X>3<< >>3<< >>3<< >>3XX3 3-turns
bridge-2 eeee fff bridge-2
bridge-1 ddd e*eeeee a bridge-1
sheets AAAA AAAAAAA sheets
4-turns >>>>XXXXXXX<<<< >444<>>4>XX>X<<<< >>>44444<< >>>>XX<<<< >>> 4-turns
summary EEEEHHHHHHHHHHHHHhTTeEEEEEEES S BgGGGghHHHHHHHHHHhtThHHHHHhTThHHHHhHHHHhtSS hHHHHHHHHhGGgSSgGGhHH summary
sequence LVVHDWGSALGFDWARRHRERVQGIAYMEAIAMPIEWADFPEQDRDLFQAFRSQAGEELVLQDNVFVEQVLPGLILRPLSEAEMAAYREPFLAAGEARRP sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHS BTTBSHHHHHHHHHHHHHHHH S EEEEEEEE SSSSHHHHHHHTT SSEEEEEEEESS GGGT HHHHHHHHHHHHHHHS Kabs/Sand
chirality +++++++-+--++-++++++++++++++++-+---------+-++++-++++++++-++--+---+--++++++++++++++++++++++- chirality
bends SSSSSSSS SS SSSSSSSSSSSSSSSSS S SS SSSSSSSSSSSSS SS S SS SSS SSSSSSSSSSSSSSSS bends
turns TTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT turns
5-turns 5-turns
3-turns << >>3<< >33< >33< >33< >>3<< >>3<< 3-turns
bridge-2 B gggggggg bridge-2
bridge-1 a B fff gggggggg bridge-1
sheets AAAAAAAA AAAAAAAA sheets
4-turns 4XXX4<<< >>>>XXXXXXXXXX<<<< >>>>X<<<< >444X>>>XXXXXXXXX<<<< 4-turns
summary HHHHHHHh BTTBhHHHHHHHHHHHHHHHHh SeEEEEEEEEeSSShHHHHHHHhTtSeEEEEEEEESSgGGGghHHHHHHHHHHHHHHHh summary
sequence TLSWPRQIPIAGTPADVVAIARDYAGWLSESPIPKLFINAEPGALTTGRMRDFCRTWPNQTEITVAGAHFIQEDSPDEIGAAIAAFVRRLRPA sequence
210 220 230 240 250 260 270 280 290