Secondary structure calculation program - copyright by David Keith Smith, 1989
1cdoA.pdb
1CDO OXIDOREDUCTASE (CH-OH(D)-NAD(A)) MOL_ID: 1; MOL_ID: 1;
Sequence length - 374
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 1 ALA A 0 0 999.9 -10.1 -179.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 17
2 A 2 THR T t > T + 0 0 -117.0 -17.2 -179.4 119.8 999.9 56.0 0 0.0 5 -2.1 0 0.0 0 0.0 6 29
3 A 3 VAL V T T 3 TS+ 0 0 -55.7 133.0 179.0 12.5 84.0 103.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
4 A 4 GLY G T T 3 TS+ 0 0 78.1 4.1 -179.3 98.5 113.4 61.9 0 0.0 0 0.0 0 0.0 0 0.0 5 27
5 A 5 LYS K S t < TS- 0 0 -123.8 155.7 176.6 -106.6 81.0 149.2 2 -2.1 0 0.0 0 0.0 0 0.0 7 27
6 A 6 VAL V - 0 0 -74.6 141.7 -179.9 -135.3 40.4 123.8 0 0.0 0 0.0 0 0.0 0 0.0 9 35
7 A 7 ILE I E E AA - 28 0 -107.0 136.8 176.9 -155.8 10.8 150.3 28 -2.8 28 -3.4 0 0.0 0 0.0 9 35
8 A 8 LYS K E E AA + 27 0 -106.0 129.2 -178.9 140.3 37.3 159.6 0 0.0 0 0.0 0 0.0 0 0.0 8 36
9 A 9 CYS C E E AA - 26 0 -158.1 177.9 179.8 -78.8 50.9 160.2 26 -2.3 26 -2.8 0 0.0 0 0.0 11 43
10 A 10 LYS K E E AA + 25 0 -92.0 139.3 178.1 163.7 44.8 139.2 0 0.0 149 -2.2 0 0.0 0 0.0 10 46
11 A 11 ALA A E E AAA - 24 148 -150.8 146.2 177.9 -116.8 41.0 169.4 24 -2.4 24 -3.0 0 0.0 13 -0.8 12 59
12 A 12 ALA A E E AA - 23 0 -88.1 109.9 -178.4 -164.7 40.0 146.1 147 -2.6 0 0.0 0 0.0 0 0.0 15 63
13 A 13 VAL V E E AA - 22 0 -103.3 135.3 177.6 -153.5 18.2 145.9 22 -2.6 22 -2.3 11 -0.8 15 -0.8 12 60
14 A 14 ALA A B B B - 64 0 -105.7 100.5 -178.9 -173.7 10.0 153.6 64 -3.1 64 -2.5 0 0.0 0 0.0 14 54
15 A 15 TRP W - 0 0 -65.5 -30.2 178.5 -6.7 68.3 40.7 13 -0.8 0 0.0 0 0.0 0 0.0 9 41
16 A 16 GLU E S t > TS- 0 0 -159.4 166.6 -179.4 -74.1 87.2 167.3 0 0.0 19 -1.0 0 0.0 0 0.0 9 38
17 A 17 ALA A T T 3 TS+ 0 0 -62.6 161.2 177.4 16.2 108.5 97.5 0 0.0 0 0.0 0 0.0 0 0.0 11 36
18 A 18 ASN N T T 3 TS+ 0 0 51.9 13.6 179.7 116.0 99.1 60.1 53 -3.0 0 0.0 0 0.0 0 0.0 7 31
19 A 19 LYS K S t < TS- 0 0 -110.8 149.7 179.5 -101.8 73.0 141.0 16 -1.0 0 0.0 0 0.0 0 0.0 8 34
20 A 20 PRO P - 0 0 -65.7 150.1 -180.0 -103.1 46.8 113.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37
21 A 21 LEU L - 0 0 -73.8 155.3 -179.1 -143.7 29.7 112.9 0 0.0 0 0.0 0 0.0 0 0.0 10 45
22 A 22 VAL V E E AA - 13 0 -125.7 126.6 178.9 -128.1 13.2 167.8 13 -2.3 13 -2.6 0 0.0 24 -0.6 7 38
23 A 23 ILE I E E AA + 12 0 -72.8 115.1 -178.9 174.3 44.5 128.8 0 0.0 0 0.0 0 0.0 0 0.0 9 43
24 A 24 GLU E E E AA - 11 0 -122.5 162.8 175.8 -117.8 38.7 145.2 11 -3.0 11 -2.4 22 -0.6 26 -0.6 9 41
25 A 25 GLU E E E AA + 10 0 -100.1 117.2 -179.7 179.1 44.2 158.1 0 0.0 0 0.0 0 0.0 0 0.0 9 37
26 A 26 ILE I E E AA - 9 0 -115.2 167.4 177.1 -119.6 28.9 138.7 9 -2.8 9 -2.3 24 -0.6 0 0.0 12 45
27 A 27 GLU E E E AAB - 8 132 -108.5 130.4 179.5 -156.3 20.4 156.5 132 -2.6 132 -1.7 0 0.0 29 -0.6 11 44
28 A 28 VAL V E E AAB - 7 131 -110.3 117.2 -179.0 -137.2 17.6 164.1 7 -3.4 7 -2.8 0 0.0 0 0.0 14 56
29 A 29 ASP D e - 0 0 -67.9 167.4 178.9 -86.7 30.3 99.2 130 -2.4 0 0.0 27 -0.6 0 0.0 9 47
30 A 30 VAL V - 0 0 -75.1 145.3 -179.7 -90.6 56.1 122.6 0 0.0 0 0.0 0 0.0 0 0.0 12 41
31 A 31 PRO P - 0 0 -61.6 128.2 179.5 -146.2 42.4 110.0 0 0.0 0 0.0 0 0.0 0 0.0 13 47
32 A 32 HIS H t > T - 0 0 -79.9 -171.6 179.8 -38.3 50.2 93.8 0 0.0 35 -1.8 0 0.0 0 0.0 7 33
33 A 33 ALA A T T 3 TS+ 0 0 -53.9 134.9 179.5 2.9 130.9 102.2 0 0.0 0 0.0 0 0.0 0 0.0 8 27
34 A 34 ASN N T e 3 TS+ 0 0 61.0 22.1 -179.4 127.3 104.9 48.9 79 -3.0 155 -2.9 0 0.0 0 0.0 12 37
35 A 35 GLU E E E BC < T - 154 0 -110.4 158.2 -179.9 -147.3 48.3 138.2 32 -1.8 78 -2.9 0 0.0 0 0.0 14 56
36 A 36 ILE I E E BCD - 153 77 -123.8 131.3 176.4 -149.2 5.9 166.2 153 -2.8 153 -2.4 0 0.0 38 -0.6 15 62
37 A 37 ARG R E E BCD - 152 76 -101.2 123.6 -175.3 -167.7 25.9 158.9 76 -2.8 75 -3.0 0 0.0 76 -1.4 14 68
38 A 38 ILE I E E BCD - 151 74 -120.5 134.8 176.0 -140.1 25.3 157.3 151 -2.9 151 -2.2 36 -0.6 40 -0.8 13 73
39 A 39 LYS K E E BCD - 150 73 -88.8 110.2 -179.5 -139.3 30.4 143.9 73 -2.5 73 -1.7 0 0.0 0 0.0 11 62
40 A 40 ILE I E E B D + 0 72 -76.3 122.1 -179.7 177.4 25.6 128.4 149 -2.2 0 0.0 38 -0.8 0 0.0 15 63
41 A 41 ILE I E E B * + 0 0 -93.7 -29.1 -179.7 1.5 68.2 42.8 71 -2.0 374 -0.6 0 0.0 0 0.0 13 54
42 A 42 ALA A E E BED - 373 71 -160.2 147.2 178.6 -175.9 58.0 168.1 71 -1.3 71 -1.7 0 0.0 0 0.0 15 61
43 A 43 THR T E E BED - 372 70 -150.4 131.2 178.1 -141.9 16.1 169.3 372 -1.2 372 -2.7 0 0.0 0 0.0 18 73
44 A 44 GLY G E E BE - 371 0 -82.6 170.1 178.6 -118.9 23.9 113.5 69 -2.5 0 0.0 0 0.0 0 0.0 14 75
45 A 45 VAL V e - 0 0 -112.9 125.7 -179.8 -165.4 30.4 164.8 370 -1.1 0 0.0 0 0.0 0 0.0 14 73
46 A 46 CYS C h > > T - 0 0 -108.7 159.0 179.6 -118.8 31.2 139.4 0 0.0 49 -1.0 0 0.0 50 -0.9 12 75
47 A 47 HIS H H H > 3 TS+ 0 0 -67.8 -21.3 179.0 68.1 110.9 43.3 0 0.0 51 -2.2 0 0.0 0 0.0 7 61
48 A 48 THR T H H > 3 TS+ 0 0 -67.0 -26.5 177.4 58.4 93.6 36.7 0 0.0 52 -1.5 0 0.0 0 0.0 7 70
49 A 49 ASP D H H > < TS+ 0 0 -66.4 -42.5 179.6 45.0 109.0 20.6 46 -1.0 53 -1.6 0 0.0 0 0.0 11 70
50 A 50 LEU L H H X >TS+ 0 0 -67.6 -40.6 -179.5 64.2 103.9 26.7 46 -0.9 54 -3.5 0 0.0 55 -0.7 11 56
51 A 51 TYR Y H H X >TS+ 0 0 -49.2 -50.6 179.8 41.6 106.8 24.4 47 -2.2 56 -2.6 0 0.0 55 -1.6 10 49
52 A 52 HIS H H H < >TS+ 0 0 -63.7 -45.9 -178.2 45.7 119.3 20.6 48 -1.5 57 -1.5 0 0.0 0 0.0 12 51
53 A 53 LEU L H H < 5TS+ 0 0 -67.3 -37.9 -177.4 12.3 133.5 33.4 49 -1.6 18 -3.0 0 0.0 0 0.0 12 53
54 A 54 PHE F H H < 5TS+ 0 0 -112.7 -36.5 -177.9 28.7 133.6 41.3 50 -3.5 0 0.0 0 0.0 0 0.0 9 39
55 A 55 GLU E T h < T - 0 0 -53.6 126.5 -175.9 -136.6 12.8 106.4 0 0.0 61 -2.0 0 0.0 0 0.0 9 37
59 A 59 LYS K T T 3 TS+ 0 0 -60.9 -28.0 179.7 49.0 100.2 44.3 0 0.0 0 0.0 0 0.0 0 0.0 7 28
60 A 60 ASP D T T 3 TS+ 0 0 -91.9 1.4 -178.7 79.4 94.8 64.5 0 0.0 0 0.0 0 0.0 0 0.0 5 34
61 A 61 GLY G S t < TS+ 0 0 -95.9 21.1 180.0 124.4 77.2 83.1 58 -2.0 0 0.0 0 0.0 0 0.0 11 49
62 A 62 PHE F + 0 0 -135.9 150.1 0.4 41.9 42.4 162.4 0 0.0 0 0.0 0 0.0 0 0.0 12 51
63 A 63 PRO P S e S+ 0 0 -74.3 156.5 -177.7 154.6 85.1 54.0 0 0.0 139 -2.0 0 0.0 0 0.0 11 52
64 A 64 VAL V E E AfB - 139 14 -154.7 152.4 175.6 -132.9 48.5 174.6 14 -2.5 14 -3.1 0 0.0 66 -0.6 13 65
65 A 65 VAL V E E Af - 140 0 -104.7 114.8 -179.2 -156.3 35.8 162.5 139 -2.3 141 -2.1 0 0.0 0 0.0 16 77
66 A 66 LEU L + 0 0 -79.2 -175.1 179.9 104.3 38.8 95.2 64 -0.6 147 -2.1 0 0.0 0 0.0 13 77
67 A 67 GLY G + 0 0 107.0 128.4 -179.3 168.7 19.5 73.0 0 0.0 146 -1.3 0 0.0 0 0.0 15 78
68 A 68 HIS H + 0 0 -159.8 33.3 -179.2 74.9 63.2 87.5 0 0.0 0 0.0 0 0.0 0 0.0 19 77
69 A 69 GLU E e + 0 0 -146.8 54.5 -178.4 122.3 68.8 110.5 0 0.0 44 -2.5 0 0.0 0 0.0 17 74
70 A 70 GLY G E E BD - 43 0 -115.0 -179.5 179.1 -151.6 43.1 121.4 0 0.0 0 0.0 0 0.0 0 0.0 16 76
71 A 71 ALA A E E BD + 42 0 -152.2 137.5 -179.0 144.8 27.8 165.7 42 -1.7 41 -2.0 0 0.0 42 -1.3 17 69
72 A 72 GLY G E E BDG - 40 90 -154.7 -164.3 -178.3 -83.5 42.2 144.3 90 -2.6 90 -2.9 0 0.0 0 0.0 13 65
73 A 73 ILE I E E BDG - 39 89 -120.2 133.9 179.9 -108.7 45.1 161.9 39 -1.7 39 -2.5 0 0.0 0 0.0 13 52
74 A 74 VAL V E E BD - 38 0 -62.5 134.6 179.2 -179.9 32.0 114.2 88 -2.4 87 -2.5 0 0.0 0 0.0 16 52
75 A 75 GLU E E E B* - 0 0 -103.6 -42.2 178.1 -23.8 64.0 40.8 37 -3.0 0 0.0 0 0.0 0 0.0 12 51
76 A 76 SER S E E BD - 37 0 -166.0 157.3 -179.4 -134.6 58.6 164.8 37 -1.4 37 -2.8 0 0.0 0 0.0 11 47
77 A 77 VAL V E E BD - 36 0 -123.4 151.1 179.4 -123.8 16.8 155.9 0 0.0 0 0.0 0 0.0 0 0.0 14 50
78 A 78 GLY G e > T - 0 0 -83.0 172.3 179.9 -66.3 50.5 107.2 35 -2.9 81 -1.2 0 0.0 0 0.0 12 36
79 A 79 PRO P T T 3 TS+ 0 0 -57.8 153.4 -179.5 33.9 118.7 100.0 0 0.0 34 -3.0 0 0.0 0 0.0 8 26
80 A 80 GLY G T T 3 TS+ 0 0 81.0 2.2 -179.2 125.1 87.8 61.8 0 0.0 82 -0.5 0 0.0 0 0.0 6 21
81 A 81 VAL V t < T + 0 0 -101.8 126.7 179.3 146.1 14.1 147.6 78 -1.2 0 0.0 0 0.0 0 0.0 11 32
82 A 82 THR T + 0 0 -129.4 -12.5 -179.3 68.8 63.0 62.1 80 -0.5 0 0.0 0 0.0 0 0.0 5 27
83 A 83 GLU E S S S+ 0 0 -79.1 -34.2 -178.9 50.5 98.9 34.7 0 0.0 0 0.0 0 0.0 0 0.0 4 36
84 A 84 PHE F + 0 0 -111.1 146.2 176.4 176.4 59.7 148.0 0 0.0 0 0.0 0 0.0 0 0.0 10 41
85 A 85 GLN Q t > T - 0 0 -141.3 151.8 -179.4 -72.8 44.3 164.6 0 0.0 88 -1.6 0 0.0 0 0.0 10 37
86 A 86 PRO P T T 3 TS+ 0 0 -46.7 134.5 -179.7 26.5 113.4 96.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37
87 A 87 GLY G T T 3 TS+ 0 0 95.4 -10.1 -179.7 128.5 86.7 72.8 74 -2.5 0 0.0 0 0.0 0 0.0 7 34
88 A 88 GLU E e < T - 0 0 -82.5 147.0 -179.7 -114.9 61.7 123.0 85 -1.6 74 -2.4 0 0.0 0 0.0 11 36
89 A 89 LYS K E E BG + 73 0 -83.1 131.2 -179.1 167.1 44.4 131.5 0 0.0 161 -2.6 0 0.0 0 0.0 14 50
90 A 90 VAL V E E BGH - 72 160 -140.2 168.9 177.9 -145.0 32.0 152.9 72 -2.9 72 -2.6 0 0.0 0 0.0 12 68
91 A 91 ILE I E E B H - 0 159 -137.2 113.7 179.4 -137.9 23.3 167.2 159 -2.2 159 -2.4 0 0.0 0 0.0 14 82
92 A 92 PRO P E E B H - 0 158 -69.1 156.9 -177.7 -142.9 20.8 111.1 0 0.0 0 0.0 0 0.0 0 0.0 14 75
93 A 93 LEU L e - 0 0 -127.9 145.0 179.9 -144.6 18.5 164.4 157 -2.9 0 0.0 0 0.0 0 0.0 14 77
94 A 94 PHE F S S S+ 0 0 -84.0 -1.1 177.7 52.6 90.0 62.6 0 0.0 0 0.0 0 0.0 0 0.0 10 74
95 A 95 ILE I S S S- 0 0 -132.0 150.4 -178.5 -123.4 82.9 165.7 0 0.0 0 0.0 0 0.0 0 0.0 9 62
96 A 96 SER S - 0 0 -96.7 161.7 177.4 -169.9 15.9 119.7 0 0.0 0 0.0 0 0.0 0 0.0 12 57
97 A 97 GLN Q + 0 0 -147.3 78.2 -179.8 170.3 11.3 128.5 156 -1.1 0 0.0 0 0.0 0 0.0 14 49
98 A 98 CYS C - 0 0 -65.6 -15.9 179.4 -144.1 34.8 51.4 0 0.0 0 0.0 0 0.0 0 0.0 10 39
99 A 99 GLY G S S S+ 0 0 67.7 -2.9 179.8 73.8 81.0 65.2 0 0.0 0 0.0 0 0.0 0 0.0 6 34
100 A 100 GLU E S S S+ 0 0 -116.8 -14.8 -179.3 87.0 72.4 51.3 0 0.0 0 0.0 0 0.0 0 0.0 6 23
101 A 101 CYS C S h > TS- 0 0 -83.3 170.1 -179.1 -100.9 88.5 108.8 0 0.0 105 -1.5 0 0.0 0 0.0 9 22
102 A 102 ARG R H H > TS+ 0 0 -57.9 -33.6 -179.1 50.3 120.4 38.4 0 0.0 106 -0.5 0 0.0 0 0.0 7 19
103 A 103 PHE F H H 4 > TS+ 0 0 -74.6 -41.5 -179.9 49.4 108.6 25.0 0 0.0 106 -0.7 0 0.0 0 0.0 10 27
104 A 104 CYS C H H 4 3 TS+ 0 0 -67.2 -28.8 -179.7 55.2 109.6 39.9 0 0.0 0 0.0 0 0.0 0 0.0 15 29
105 A 105 GLN Q H H < 3 TS+ 0 0 -80.0 -16.9 -179.7 84.7 93.0 49.0 101 -1.5 0 0.0 0 0.0 0 0.0 8 24
106 A 106 SER S h < X T - 0 0 -92.6 136.7 179.5 -149.4 66.6 136.3 103 -0.7 109 -1.1 102 -0.5 0 0.0 7 21
107 A 107 PRO P T T 3 TS+ 0 0 -77.6 -3.2 -179.4 73.9 91.8 55.6 0 0.0 0 0.0 0 0.0 0 0.0 6 24
108 A 108 LYS K T T 3 TS+ 0 0 -83.8 -13.6 -174.9 25.2 100.9 50.0 0 0.0 0 0.0 0 0.0 0 0.0 4 30
109 A 109 THR T t < T - 0 0 -148.3 169.2 176.9 -144.3 50.2 152.9 106 -1.1 0 0.0 0 0.0 0 0.0 9 38
110 A 110 ASN N + 0 0 -120.4 20.8 179.1 122.8 65.6 88.6 0 0.0 0 0.0 0 0.0 0 0.0 13 47
111 A 111 GLN Q - 0 0 -78.4 168.0 179.7 -177.9 36.8 107.9 0 0.0 0 0.0 0 0.0 0 0.0 8 43
112 A 112 CYS C - 0 0 -158.0 165.7 178.7 -122.6 36.4 160.4 0 0.0 0 0.0 0 0.0 0 0.0 12 39
113 A 113 VAL V S S S+ 0 0 -93.7 -6.5 -180.0 73.2 89.2 58.4 0 0.0 0 0.0 0 0.0 0 0.0 8 31
114 A 114 LYS K + 0 0 -104.6 165.9 178.7 67.4 63.3 128.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
115 A 115 GLY G S g > TS- 0 0 113.2 161.8 179.6 -68.9 88.4 104.2 0 0.0 118 -1.2 0 0.0 0 0.0 11 50
116 A 116 TRP W G G > > TS+ 0 0 -54.5 -37.1 -179.3 63.2 125.1 31.4 0 0.0 120 -3.3 0 0.0 119 -1.8 13 41
117 A 117 ALA A G G 4 3 TS+ 0 0 -59.9 -34.7 -179.7 51.1 100.9 32.0 0 0.0 0 0.0 0 0.0 0 0.0 11 35
118 A 118 ASN N G G 4 < TS+ 0 0 -86.3 8.9 -179.3 20.6 127.6 71.0 115 -1.2 0 0.0 0 0.0 0 0.0 8 28
119 A 119 GLU E T g 4 < TS+ 0 0 -138.6 -48.1 -179.7 17.0 138.5 57.6 116 -1.8 0 0.0 0 0.0 0 0.0 8 27
120 A 120 SER S t X >T + 0 0 -133.4 65.8 -179.9 149.0 68.1 123.8 116 -3.3 124 -1.1 0 0.0 125 -0.7 11 30
121 A 121 PRO P T T 4 5TS+ 0 0 -66.9 -45.9 -180.0 48.1 74.6 21.6 0 0.0 0 0.0 0 0.0 0 0.0 9 40
122 A 122 ASP D T T 4 5TS+ 0 0 -64.8 -31.6 -179.9 52.8 110.3 40.7 0 0.0 0 0.0 0 0.0 0 0.0 6 34
123 A 123 VAL V T T 4 5TS- 0 0 -74.1 -28.6 -178.9 -141.9 97.2 37.9 0 0.0 0 0.0 0 0.0 0 0.0 10 46
124 A 124 MET M T T < 5TS+ 0 0 72.2 17.4 179.5 78.0 73.0 53.6 120 -1.1 142 -2.7 0 0.0 0 0.0 12 54
125 A 125 SER S S t TS- 0 136 -158.2 121.8 -179.0 -7.4 70.8 154.6 136 -3.0 136 -1.9 0 0.0 0 0.0 11 38
134 A 134 LYS K T T 3 TS- 0 0 58.3 42.8 -179.1 -59.0 127.4 23.3 0 0.0 0 0.0 0 0.0 0 0.0 5 26
135 A 135 GLY G T T 3 TS+ 0 0 63.5 6.9 179.8 119.0 117.6 56.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21
136 A 136 ARG R E E AI < T - 133 0 -105.4 137.0 179.0 -122.6 67.7 145.4 133 -1.9 133 -3.0 0 0.0 0 0.0 6 27
137 A 137 LYS K E E AI - 132 0 -77.7 140.0 179.8 -157.8 26.3 130.3 0 0.0 0 0.0 0 0.0 0 0.0 9 34
138 A 138 VAL V E E AI - 131 0 -126.2 125.5 -179.1 -125.6 12.7 168.1 131 -2.2 131 -0.6 0 0.0 0 0.0 13 56
139 A 139 LEU L E E Af - 64 0 -66.9 154.1 179.6 -127.9 14.1 102.3 63 -2.0 65 -2.3 0 0.0 141 -0.7 16 60
140 A 140 GLN Q E E Af > T - 65 0 -107.5 106.1 -179.3 -121.3 28.8 152.1 0 0.0 143 -2.4 0 0.0 0 0.0 15 71
141 A 141 PHE F G e > > TS- 0 0 -49.7 125.8 179.0 -15.7 88.0 98.7 65 -2.1 144 -2.6 139 -0.7 145 -2.2 14 73
142 A 142 LEU L G G 4 3 TS- 0 0 51.7 17.5 -179.0 -75.6 115.4 53.5 124 -2.7 0 0.0 0 0.0 0 0.0 12 66
143 A 143 GLY G G G 4 < TS+ 0 0 74.3 6.8 -179.7 79.1 130.0 57.2 140 -2.4 0 0.0 0 0.0 0 0.0 11 68
144 A 144 THR T T g 4 < T + 0 0 -109.9 -45.9 -179.5 179.4 58.6 38.9 141 -2.6 0 0.0 0 0.0 0 0.0 14 75
145 A 145 SER S t < T + 0 0 35.9 70.5 -178.1 174.3 5.4 30.3 141 -2.2 0 0.0 0 0.0 0 0.0 13 85
146 A 146 THR T + 0 0 -82.1 -6.8 178.4 88.9 55.9 58.4 67 -1.3 148 -1.1 0 0.0 0 0.0 15 78
147 A 147 PHE F S S S+ 0 0 -83.2 44.6 -179.6 82.7 80.0 102.7 66 -2.1 12 -2.6 0 0.0 0 0.0 11 77
148 A 148 SER S B B A S- 11 0 -147.1 147.7 179.4 -125.2 84.9 171.9 146 -1.1 0 0.0 0 0.0 0 0.0 13 68
149 A 149 GLN Q S e S+ 0 0 -60.6 -34.6 -179.9 25.0 103.8 29.9 10 -2.2 40 -2.2 0 0.0 0 0.0 12 62
150 A 150 TYR Y E E BC S+ 39 0 -134.8 136.9 177.5 175.2 71.0 172.4 0 0.0 0 0.0 0 0.0 0 0.0 11 72
151 A 151 THR T E E BC - 38 0 -133.9 167.0 179.9 -137.7 21.7 151.2 38 -2.2 38 -2.9 0 0.0 0 0.0 13 77
152 A 152 VAL V E E BC + 37 0 -130.4 123.2 -178.7 172.7 25.8 174.0 0 0.0 0 0.0 0 0.0 0 0.0 12 79
153 A 153 VAL V E E BC - 36 0 -132.7 144.0 178.4 -105.7 36.9 166.7 36 -2.4 36 -2.8 0 0.0 0 0.0 13 76
154 A 154 ASN N E E BC > T - 35 0 -65.3 143.5 -178.6 -118.6 35.3 118.3 0 0.0 157 -2.2 0 0.0 0 0.0 9 64
155 A 155 GLN Q G e > TS+ 0 0 -56.2 -30.5 -179.9 63.7 110.1 42.8 34 -2.9 158 -1.5 0 0.0 0 0.0 9 56
156 A 156 ILE I G T 3 TS+ 0 0 -71.8 -9.2 178.3 51.6 104.1 51.9 0 0.0 97 -1.1 0 0.0 0 0.0 8 55
157 A 157 ALA A G e < TS+ 0 0 -113.5 29.9 179.2 82.8 98.2 95.0 154 -2.2 93 -2.9 0 0.0 0 0.0 14 69
158 A 158 VAL V E E BH < T - 92 0 -138.6 133.7 178.8 -156.2 59.3 176.7 155 -1.5 0 0.0 0 0.0 0 0.0 13 70
159 A 159 ALA A E E BH - 91 0 -110.6 132.4 177.9 -140.5 12.6 157.7 91 -2.4 91 -2.2 0 0.0 0 0.0 13 67
160 A 160 LYS K E E BH - 90 0 -87.3 141.3 -177.7 -166.4 28.4 136.0 0 0.0 0 0.0 0 0.0 0 0.0 11 58
161 A 161 ILE I e - 0 0 -129.1 172.5 -179.8 -59.0 29.9 140.5 89 -2.6 0 0.0 0 0.0 0 0.0 12 49
162 A 162 ASP D t > T - 0 0 -51.5 129.6 -179.7 -130.2 44.2 101.6 0 0.0 165 -2.2 0 0.0 0 0.0 9 38
163 A 163 PRO P T T 3 TS+ 0 0 -55.2 -23.7 -180.0 50.8 106.1 49.2 0 0.0 0 0.0 0 0.0 0 0.0 6 32
164 A 164 SER S T T 3 TS+ 0 0 -102.6 15.2 -178.9 128.4 81.5 76.9 0 0.0 0 0.0 0 0.0 0 0.0 4 28
165 A 165 ALA A t < T - 0 0 -75.4 133.8 179.6 -120.0 64.8 118.9 162 -2.2 167 -1.2 0 0.0 0 0.0 10 41
166 A 166 PRO P h > > T - 0 0 -77.1 102.7 -178.4 -162.1 21.8 128.0 0 0.0 169 -2.3 0 0.0 170 -2.3 6 44
167 A 167 LEU L H H > 3 TS+ 0 0 -54.3 -27.9 -179.1 66.4 84.3 44.1 165 -1.2 171 -0.7 0 0.0 0 0.0 11 51
168 A 168 ASP D H H 4 3 TS+ 0 0 -75.1 -4.5 -179.8 23.1 117.4 60.5 0 0.0 0 0.0 0 0.0 0 0.0 11 51
169 A 169 THR T H H 4 X TS+ 0 0 -126.3 -44.5 -178.7 62.5 112.2 51.0 166 -2.3 172 -1.9 0 0.0 0 0.0 10 58
170 A 170 VAL V H H < > TS+ 0 0 -63.6 -12.2 179.3 86.5 81.6 48.3 166 -2.3 173 -2.3 0 0.0 0 0.0 12 67
171 A 171 CYS C G h < > TS+ 0 0 -59.1 -23.1 178.8 73.4 73.4 39.4 167 -0.7 174 -2.0 0 0.0 0 0.0 14 74
172 A 172 LEU L G G X>TS+ 0 0 -60.5 -27.7 179.6 66.4 84.2 38.6 169 -1.9 175 -1.4 0 0.0 177 -1.4 14 77
173 A 173 LEU L G G <5TS+ 0 0 -70.0 -12.8 178.5 81.9 79.1 51.8 170 -2.3 0 0.0 0 0.0 0 0.0 13 81
174 A 174 GLY G G G <5TS- 0 0 -64.6 -23.0 178.6 -38.0 123.0 45.4 171 -2.0 0 0.0 0 0.0 0 0.0 16 83
175 A 175 CYS C T h > <5TS+ 0 0 -158.5 -83.4 -176.7 55.0 123.1 91.3 172 -1.4 179 -2.6 0 0.0 0 0.0 13 76
176 A 176 GLY G H H > 5TS+ 0 0 -38.6 -60.5 -178.4 39.2 110.1 40.9 0 0.0 180 -2.2 0 0.0 0 0.0 14 76
177 A 177 VAL V H H > TS+ 0 0 -68.7 -36.1 -179.8 52.8 112.5 26.4 0 0.0 182 -1.9 0 0.0 0 0.0 16 72
179 A 179 THR T H H X TS+ 0 0 -62.3 -58.2 -179.1 36.3 115.3 12.1 175 -2.6 183 -2.4 0 0.0 0 0.0 17 68
180 A 180 GLY G H H X TS+ 0 0 -60.6 -56.7 179.5 43.1 121.8 18.4 176 -2.2 184 -1.2 0 0.0 0 0.0 20 75
181 A 181 PHE F H H X > TS+ 0 0 -55.5 -48.2 -179.2 49.8 116.3 22.9 177 -1.9 185 -2.4 0 0.0 184 -0.6 16 76
182 A 182 GLY G H H X 3>TS+ 0 0 -61.3 -42.1 -179.9 59.4 102.6 27.5 178 -1.9 186 -2.8 0 0.0 187 -1.5 16 66
183 A 183 ALA A H H < 3>TS+ 0 0 -57.8 -30.8 179.7 41.4 112.5 35.0 179 -2.4 188 -2.5 0 0.0 0 0.0 18 65
184 A 184 ALA A H H < <>TS+ 0 0 -79.3 -56.7 -178.8 31.3 125.4 17.8 180 -1.2 190 -1.7 181 -0.6 189 -1.0 15 70
185 A 185 VAL V H H < 5TS+ 0 0 -70.8 -47.4 -178.4 25.8 133.4 24.3 181 -2.4 0 0.0 0 0.0 0 0.0 12 61
186 A 186 ASN N T h < 5TS+ 0 0 -87.0 -49.5 -178.4 31.1 129.9 27.8 182 -2.8 0 0.0 0 0.0 0 0.0 10 53
187 A 187 THR T T T T - 0 0 -107.5 151.5 179.5 -92.8 21.1 136.3 0 0.0 194 -1.9 0 0.0 0 0.0 8 37
192 A 192 PRO P T T 3 TS+ 0 0 -61.0 130.7 179.8 16.8 112.1 112.9 0 0.0 0 0.0 0 0.0 0 0.0 8 27
193 A 193 GLY G T T 3 TS+ 0 0 87.7 0.1 -179.0 127.4 99.9 66.1 216 -2.9 0 0.0 0 0.0 0 0.0 8 27
194 A 194 SER S e < T - 0 0 -84.3 175.1 179.0 -116.0 58.7 101.8 191 -1.9 218 -2.3 0 0.0 219 -1.6 12 43
195 A 195 THR T E E Cj + 219 0 -116.1 134.2 -178.5 179.5 34.1 161.2 0 0.0 265 -2.0 0 0.0 264 -1.1 11 56
196 A 196 CYS C E E Cjk - 220 265 -131.3 164.1 177.5 -156.0 17.7 151.3 219 -2.8 221 -2.4 0 0.0 0 0.0 14 75
197 A 197 ALA A E E Cjk - 221 266 -143.6 127.2 179.6 -161.2 6.4 169.7 265 -1.2 267 -2.1 0 0.0 199 -0.5 13 85
198 A 198 VAL V E E Cjk - 222 267 -113.7 120.8 179.4 -154.2 7.3 161.2 221 -2.5 223 -2.5 0 0.0 200 -0.7 16 87
199 A 199 PHE F E E Cjk + 223 268 -97.5 118.6 -179.7 24.3 67.2 146.3 267 -3.0 269 -2.9 197 -0.5 0 0.0 15 72
200 A 200 GLY G e - 0 0 99.1 121.7 -178.3 -143.4 64.4 66.8 223 -2.9 0 0.0 198 -0.7 0 0.0 11 73
201 A 201 LEU L + 0 0 -116.1 52.2 175.7 115.5 55.1 111.5 0 0.0 0 0.0 0 0.0 0 0.0 15 70
202 A 202 GLY G S h > TS- 0 0 -93.5 -160.4 179.7 -68.5 92.7 101.4 0 0.0 206 -2.8 0 0.0 0 0.0 12 68
203 A 203 ALA A H H > TS+ 0 0 -62.2 -38.2 179.5 49.6 137.6 26.0 0 0.0 207 -1.8 0 0.0 0 0.0 12 79
204 A 204 VAL V H H > TS+ 0 0 -66.3 -45.2 178.4 43.5 114.8 20.9 0 0.0 208 -1.7 0 0.0 0 0.0 13 73
205 A 205 GLY G H H > TS+ 0 0 -66.1 -42.0 179.8 51.4 113.3 24.3 0 0.0 209 -2.2 0 0.0 0 0.0 15 83
206 A 206 LEU L H H X TS+ 0 0 -64.5 -31.6 177.7 49.9 109.8 36.7 202 -2.8 210 -1.7 0 0.0 0 0.0 13 74
207 A 207 ALA A H H X TS+ 0 0 -73.8 -33.6 178.8 54.7 107.6 35.0 203 -1.8 211 -2.3 0 0.0 0 0.0 15 76
208 A 208 ALA A H H X TS+ 0 0 -65.5 -40.1 178.4 51.6 106.4 22.6 204 -1.7 212 -2.2 0 0.0 0 0.0 16 82
209 A 209 VAL V H H X TS+ 0 0 -59.9 -46.0 -180.0 50.8 108.8 19.6 205 -2.2 213 -2.1 0 0.0 0 0.0 17 76
210 A 210 MET M H H X TS+ 0 0 -58.8 -44.2 178.6 51.9 108.6 25.7 206 -1.7 214 -2.7 0 0.0 0 0.0 11 71
211 A 211 GLY G H H X TS+ 0 0 -60.1 -43.7 178.5 51.2 107.6 25.8 207 -2.3 215 -2.4 0 0.0 0 0.0 13 72
212 A 212 CYS C H H < >TS+ 0 0 -60.3 -39.8 179.7 49.2 111.5 24.5 208 -2.2 217 -2.1 0 0.0 0 0.0 15 64
213 A 213 HIS H H H < >5TS+ 0 0 -65.6 -45.8 179.9 49.6 110.1 20.9 209 -2.1 216 -1.3 0 0.0 0 0.0 12 51
214 A 214 SER S H H < 35TS+ 0 0 -60.3 -40.6 178.9 56.3 106.3 30.1 210 -2.7 0 0.0 0 0.0 0 0.0 7 47
215 A 215 ALA A T h < 35TS- 0 0 -68.1 -10.8 178.3 -110.8 120.6 56.0 211 -2.4 0 0.0 0 0.0 0 0.0 10 39
216 A 216 GLY G T T <5T + 0 0 87.6 25.9 179.6 176.9 49.4 42.4 213 -1.3 193 -2.9 0 0.0 0 0.0 11 35
217 A 217 ALA A t T - 0 0 -99.6 99.5 -179.9 -166.4 68.9 148.4 0 0.0 229 -1.7 0 0.0 0 0.0 6 35
227 A 227 PRO P G G > TS+ 0 0 -62.1 -10.7 179.1 83.6 75.3 57.3 0 0.0 230 -1.1 0 0.0 0 0.0 7 34
228 A 228 ASP D G G 3 TS+ 0 0 -67.6 -19.2 -179.6 61.1 84.2 46.2 0 0.0 0 0.0 0 0.0 0 0.0 5 32
229 A 229 LYS K G h > < TS+ 0 0 -82.1 -13.9 -178.0 84.7 80.1 50.2 226 -1.7 233 -1.8 0 0.0 0 0.0 10 48
230 A 230 PHE F H H > < TS+ 0 0 -58.4 -35.1 179.0 60.2 82.1 34.5 227 -1.1 234 -2.2 0 0.0 0 0.0 10 43
231 A 231 GLU E H H > TS+ 0 0 -58.4 -49.1 179.7 41.1 109.8 23.1 0 0.0 235 -1.7 0 0.0 0 0.0 7 38
232 A 232 LYS K H H > TS+ 0 0 -70.8 -32.3 178.6 59.8 109.5 36.7 0 0.0 236 -2.2 0 0.0 0 0.0 8 46
233 A 233 ALA A H H < >TS+ 0 0 -61.9 -39.9 179.0 47.3 107.0 22.2 229 -1.8 238 -2.3 0 0.0 0 0.0 13 56
234 A 234 LYS K H H < >5TS+ 0 0 -66.5 -40.9 178.5 56.5 107.1 25.0 230 -2.2 237 -1.7 0 0.0 0 0.0 9 42
235 A 235 VAL V H H < 35TS+ 0 0 -56.5 -41.2 -179.4 49.4 107.9 22.9 231 -1.7 0 0.0 0 0.0 0 0.0 7 38
236 A 236 PHE F T h < 35TS- 0 0 -83.1 4.6 177.8 -85.4 131.9 67.8 232 -2.2 0 0.0 0 0.0 0 0.0 11 53
237 A 237 GLY G T T <5TS+ 0 0 108.9 6.2 179.8 154.0 70.0 56.2 234 -1.7 0 0.0 0 0.0 0 0.0 10 49
238 A 238 ALA A t T - 0 0 -107.0 116.6 -179.9 -146.3 18.3 163.6 0 0.0 246 -1.9 0 0.0 0 0.0 11 37
244 A 244 PRO P G G > TS+ 0 0 -49.9 -38.7 -178.9 66.3 94.2 31.0 0 0.0 247 -1.8 0 0.0 0 0.0 10 38
245 A 245 ASN N G G 3 TS+ 0 0 -60.5 -18.9 179.8 65.7 89.6 49.5 0 0.0 0 0.0 0 0.0 0 0.0 6 24
246 A 246 ASP D G G < TS+ 0 0 -87.1 8.9 -179.7 66.6 97.0 74.9 243 -1.9 0 0.0 0 0.0 0 0.0 6 20
247 A 247 HIS H g < T - 0 0 -135.6 137.8 175.3 -156.0 61.1 175.9 244 -1.8 0 0.0 0 0.0 0 0.0 9 22
248 A 248 SER S S S S+ 0 0 -71.9 -39.1 -179.2 78.6 77.9 34.0 0 0.0 0 0.0 0 0.0 0 0.0 5 15
249 A 249 GLU E S S S- 0 0 -71.4 153.6 178.7 -87.7 99.8 107.9 0 0.0 0 0.0 0 0.0 0 0.0 6 19
250 A 250 PRO P h > > T - 0 0 -58.9 146.3 -177.6 -111.6 42.6 112.1 0 0.0 253 -1.3 0 0.0 254 -1.2 8 31
251 A 251 ILE I H H > 3 TS+ 0 0 -51.9 -38.8 -179.4 60.3 115.0 35.1 0 0.0 255 -2.4 0 0.0 0 0.0 10 44
252 A 252 SER S H H > 3 TS+ 0 0 -60.1 -34.3 179.8 49.5 105.2 32.3 0 0.0 256 -2.2 0 0.0 0 0.0 10 50
253 A 253 GLN Q H H > < TS+ 0 0 -74.4 -34.0 179.5 54.0 107.2 32.5 250 -1.3 257 -2.4 0 0.0 0 0.0 9 35
254 A 254 VAL V H H X TS+ 0 0 -63.2 -51.4 -179.8 44.0 112.5 14.8 250 -1.2 258 -2.0 0 0.0 0 0.0 10 38
255 A 255 LEU L H H X TS+ 0 0 -60.5 -46.7 179.6 51.9 111.9 22.9 251 -2.4 259 -1.4 0 0.0 0 0.0 11 51
256 A 256 SER S H H X >TS+ 0 0 -57.1 -48.0 179.5 48.5 110.8 18.4 252 -2.2 261 -2.0 0 0.0 260 -1.6 14 40
257 A 257 LYS K H H < 5TS+ 0 0 -59.4 -36.9 -179.9 54.2 109.0 30.8 253 -2.4 0 0.0 0 0.0 0 0.0 9 28
258 A 258 MET M H H < 5TS+ 0 0 -68.1 -26.0 -177.1 30.6 120.9 42.4 254 -2.0 0 0.0 0 0.0 0 0.0 8 35
259 A 259 THR T H H < 5TS- 0 0 -114.6 -3.5 -179.3 -110.1 108.8 65.0 255 -1.4 0 0.0 0 0.0 0 0.0 8 36
260 A 260 ASN N T h < 5TS- 0 0 73.3 44.6 178.9 -3.3 101.4 20.8 256 -1.6 0 0.0 0 0.0 0 0.0 6 24
261 A 261 GLY G S t T - 0 0 -123.1 121.5 -178.2 -148.5 54.6 166.3 0 0.0 276 -2.0 0 0.0 0 0.0 9 41
273 A 273 VAL V H H > TS+ 0 0 -58.0 -30.4 179.2 55.6 99.3 37.9 0 0.0 277 -1.6 0 0.0 0 0.0 11 33
274 A 274 GLY G H H > TS+ 0 0 -69.1 -40.8 178.3 46.7 108.9 25.8 0 0.0 278 -1.7 0 0.0 0 0.0 7 38
275 A 275 VAL V H H > TS+ 0 0 -67.0 -34.8 179.9 58.8 107.6 31.4 0 0.0 279 -2.3 0 0.0 0 0.0 11 49
276 A 276 MET M H H X TS+ 0 0 -61.4 -41.2 179.8 46.7 106.5 27.3 272 -2.0 280 -1.6 0 0.0 0 0.0 12 51
277 A 277 ARG R H H X TS+ 0 0 -66.7 -43.5 179.9 51.7 111.6 24.2 273 -1.6 281 -2.2 0 0.0 0 0.0 11 53
278 A 278 ASN N H H X TS+ 0 0 -61.6 -40.8 178.4 53.5 106.2 31.7 274 -1.7 282 -1.0 0 0.0 0 0.0 10 58
279 A 279 ALA A H H < > TS+ 0 0 -61.4 -45.6 179.8 48.4 109.9 22.6 275 -2.3 282 -0.5 0 0.0 0 0.0 15 67
280 A 280 LEU L H H < > TS+ 0 0 -60.0 -49.3 -178.1 47.7 112.6 18.3 276 -1.6 283 -1.5 0 0.0 0 0.0 13 62
281 A 281 GLU E H H < 3 TS+ 0 0 -70.6 -14.1 178.2 66.2 99.5 52.3 277 -2.2 0 0.0 0 0.0 0 0.0 9 58
282 A 282 SER S T h < < TS+ 0 0 -81.2 -10.5 -179.8 98.7 86.6 53.4 278 -1.0 263 -1.7 279 -0.5 0 0.0 14 59
283 A 283 CYS C B B c < TS- 263 0 -77.2 153.3 179.8 -104.2 81.5 113.8 280 -1.5 0 0.0 0 0.0 0 0.0 17 60
284 A 284 LEU L t > T - 0 0 -76.5 153.2 179.1 -108.0 35.3 112.4 263 -2.7 288 -1.3 0 0.0 0 0.0 13 45
285 A 285 LYS K T T 4 TS+ 0 0 -73.1 163.8 178.0 28.5 95.9 105.3 0 0.0 287 -1.4 0 0.0 0 0.0 11 37
286 A 286 GLY G T T 4 TS+ 0 0 83.6 -54.2 180.0 14.7 135.9 103.1 310 -1.7 0 0.0 0 0.0 0 0.0 7 26
287 A 287 TRP W T T 4 TS+ 0 0 -139.5 11.4 179.8 137.4 82.6 73.7 285 -1.4 0 0.0 0 0.0 0 0.0 9 34
288 A 288 GLY G e < T - 0 0 -65.9 136.3 179.6 -164.4 31.9 112.8 284 -1.3 313 -2.2 0 0.0 0 0.0 14 49
289 A 289 VAL V E E Cmn - 265 313 -126.6 123.1 179.1 -173.8 5.7 170.1 264 -2.0 266 -2.0 0 0.0 0 0.0 14 53
290 A 290 SER S E E Cmn - 266 314 -117.4 140.3 -178.1 -159.0 6.8 160.9 313 -2.5 315 -2.4 0 0.0 0 0.0 16 69
291 A 291 VAL V E E Cmn - 267 315 -125.4 129.3 177.4 -138.9 11.0 165.1 266 -1.7 268 -2.2 0 0.0 0 0.0 15 66
292 A 292 LEU L E E Cmn + 268 316 -82.8 135.2 179.1 150.8 35.2 135.9 315 -2.2 317 -2.1 0 0.0 0 0.0 12 61
293 A 293 VAL V e + 0 0 -132.1 -38.0 178.6 92.2 44.2 54.5 268 -1.3 0 0.0 0 0.0 0 0.0 15 65
294 A 294 GLY G S S S- 0 0 -60.5 153.4 -177.8 -125.1 71.6 102.4 268 -1.1 0 0.0 0 0.0 0 0.0 9 66
295 A 295 TRP W + 0 0 -116.5 135.7 176.5 127.6 43.6 150.2 0 0.0 0 0.0 0 0.0 0 0.0 8 52
296 A 296 THR T - 0 0 -172.2 146.9 178.9 -177.8 23.4 155.8 0 0.0 0 0.0 0 0.0 0 0.0 8 39
297 A 297 ASP D S S S+ 0 0 -139.0 29.3 -179.3 85.4 71.9 94.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30
298 A 298 LEU L S S S+ 0 0 -107.6 -12.4 -179.4 30.0 95.0 60.2 0 0.0 0 0.0 0 0.0 0 0.0 5 24
299 A 299 HIS H S S S- 0 0 -146.1 159.6 178.5 -114.5 76.8 165.0 0 0.0 0 0.0 0 0.0 0 0.0 6 21
300 A 300 ASP D - 0 0 -91.5 151.5 175.7 -135.2 23.8 128.4 0 0.0 0 0.0 0 0.0 0 0.0 6 20
301 A 301 VAL V + 0 0 -103.6 146.9 -177.7 176.1 34.6 148.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34
302 A 302 ALA A + 0 0 -147.2 172.8 178.5 163.3 19.4 155.7 0 0.0 0 0.0 0 0.0 0 0.0 6 32
303 A 303 THR T - 0 0 -172.1 -179.5 178.9 -75.6 45.3 160.2 0 0.0 0 0.0 0 0.0 0 0.0 6 30
304 A 304 ARG R h > > T - 0 0 -95.7 141.0 180.0 -122.8 37.4 144.0 0 0.0 307 -1.7 0 0.0 308 -0.6 6 24
305 A 305 PRO P H H > > TS+ 0 0 -48.6 -38.5 180.0 65.1 109.0 33.3 0 0.0 309 -2.2 0 0.0 308 -1.0 6 17
306 A 306 ILE I H H > 3 TS+ 0 0 -56.5 -35.0 179.6 68.3 88.2 33.4 0 0.0 310 -2.2 0 0.0 0 0.0 6 22
307 A 307 GLN Q H H 4 <>TS+ 0 0 -52.7 -43.5 -179.5 31.2 111.8 25.2 304 -1.7 312 -0.8 0 0.0 0 0.0 11 35
308 A 308 LEU L H H < X5TS+ 0 0 -84.4 -36.7 179.9 58.6 114.5 32.8 305 -1.0 311 -1.7 304 -0.6 0 0.0 10 30
309 A 309 ILE I H H < 35TS+ 0 0 -64.6 -25.3 178.6 64.4 97.3 38.2 305 -2.2 0 0.0 0 0.0 0 0.0 7 20
310 A 310 ALA A T h < 35TS- 0 0 -73.6 -9.5 179.4 -83.4 133.8 57.5 306 -2.2 286 -1.7 0 0.0 0 0.0 8 25
311 A 311 GLY G T T <5TS+ 0 0 118.9 12.3 179.9 138.1 82.1 54.3 308 -1.7 0 0.0 0 0.0 0 0.0 10 28
312 A 312 ARG R t TS- 0 0 -128.2 119.4 -178.4 -16.5 84.5 174.5 0 0.0 321 -2.0 0 0.0 0 0.0 9 58
319 A 319 PHE F G G > TS- 0 0 51.4 42.4 178.7 -64.3 121.8 27.9 0 0.0 322 -1.9 0 0.0 0 0.0 13 67
320 A 320 GLY G G G 3 TS- 0 0 59.5 16.9 179.6 -76.5 83.1 49.2 0 0.0 0 0.0 0 0.0 0 0.0 14 62
321 A 321 GLY G G G < TS+ 0 0 70.9 12.0 179.2 145.1 92.4 52.0 318 -2.0 0 0.0 0 0.0 0 0.0 13 57
322 A 322 PHE F g < T - 0 0 -82.6 141.5 174.7 -124.6 57.1 127.4 319 -1.9 324 -0.9 0 0.0 0 0.0 12 59
323 A 323 LYS K h > > T - 0 0 -84.6 110.4 -177.9 -130.8 32.9 144.0 0 0.0 327 -3.2 0 0.0 326 -1.5 10 56
324 A 324 GLY G H H > 3 TS+ 0 0 -26.4 -67.3 -177.4 38.9 98.3 36.7 322 -0.9 328 -1.6 0 0.0 0 0.0 14 66
325 A 325 LYS K H H 4 3 TS+ 0 0 -68.2 -19.5 179.7 42.7 123.5 46.0 0 0.0 0 0.0 0 0.0 0 0.0 12 50
326 A 326 ASP D H H > < TS+ 0 0 -90.4 -52.1 -177.3 40.0 117.5 27.3 323 -1.5 330 -0.8 0 0.0 0 0.0 9 47
327 A 327 GLY G H H X TS+ 0 0 -68.4 -48.1 -178.8 57.6 106.2 24.3 323 -3.2 331 -1.9 0 0.0 0 0.0 9 56
328 A 328 VAL V H H X TS+ 0 0 -54.2 -48.3 -180.0 50.0 105.1 26.0 324 -1.6 332 -1.8 0 0.0 0 0.0 14 61
329 A 329 PRO P H H > TS+ 0 0 -60.5 -36.8 178.8 50.5 111.5 28.3 0 0.0 333 -2.0 0 0.0 0 0.0 12 48
330 A 330 LYS K H H X TS+ 0 0 -67.6 -37.2 178.8 53.0 107.4 30.4 326 -0.8 334 -2.0 0 0.0 0 0.0 8 43
331 A 331 MET M H H X TS+ 0 0 -67.8 -32.5 177.6 52.6 107.6 34.6 327 -1.9 335 -1.8 0 0.0 0 0.0 11 58
332 A 332 VAL V H H X TS+ 0 0 -66.6 -48.1 178.8 48.6 108.8 17.4 328 -1.8 336 -2.6 0 0.0 0 0.0 13 49
333 A 333 LYS K H H X TS+ 0 0 -57.8 -39.5 179.6 53.3 110.4 28.2 329 -2.0 337 -2.1 0 0.0 0 0.0 9 35
334 A 334 ALA A H H < >TS+ 0 0 -63.8 -41.5 178.9 47.9 108.7 28.4 330 -2.0 339 -3.3 0 0.0 340 -0.8 10 33
335 A 335 TYR Y H H < >5TS+ 0 0 -64.6 -46.8 179.6 48.9 112.7 19.6 331 -1.8 338 -1.8 0 0.0 0 0.0 11 39
336 A 336 LEU L H H < 35TS+ 0 0 -62.1 -34.2 179.1 53.5 108.7 31.6 332 -2.6 0 0.0 0 0.0 0 0.0 8 28
337 A 337 ASP D T h < 35TS- 0 0 -84.7 12.5 179.8 -112.2 119.0 75.6 333 -2.1 0 0.0 0 0.0 0 0.0 7 20
338 A 338 LYS K T T <5TS+ 0 0 63.1 30.6 179.9 117.7 86.2 38.4 335 -1.8 0 0.0 0 0.0 0 0.0 7 21
339 A 339 LYS K S t T + 0 0 -139.2 -43.9 -178.6 65.8 64.4 58.5 0 0.0 345 -2.1 0 0.0 0 0.0 11 62
343 A 343 ASP D G G > TS+ 0 0 -56.4 -34.6 -178.6 64.9 93.5 31.0 0 0.0 346 -1.7 0 0.0 0 0.0 6 43
344 A 344 GLU E G G 3 TS+ 0 0 -66.9 -11.1 178.5 62.3 93.7 56.6 0 0.0 0 0.0 0 0.0 0 0.0 6 45
345 A 345 PHE F G e < TS+ 0 0 -83.7 -25.0 -176.4 83.8 86.5 46.2 342 -2.1 369 -1.6 0 0.0 347 -0.8 9 58
346 A 346 ILE I E E Bo < T + 369 0 -88.7 104.8 -179.5 155.0 41.2 137.5 343 -1.7 0 0.0 0 0.0 0 0.0 12 51
347 A 347 THR T E E B* + 0 0 -98.0 -29.1 179.6 33.3 65.8 43.4 369 -1.9 0 0.0 345 -0.8 0 0.0 9 40
348 A 348 HIS H E E Bo - 370 0 -130.6 149.6 177.2 -173.9 56.0 165.4 369 -1.6 371 -2.4 0 0.0 0 0.0 8 39
349 A 349 ARG R E E Bo + 371 0 -139.9 134.5 -179.5 148.1 21.2 173.4 0 0.0 0 0.0 0 0.0 0 0.0 9 41
350 A 350 MET M E E Bo - 372 0 -163.3 159.0 -180.0 -83.3 44.9 168.8 371 -1.3 373 -1.5 0 0.0 0 0.0 9 33
351 A 351 PRO P E E Bo > T - 373 0 -65.2 162.2 178.7 -107.4 42.2 103.6 0 0.0 354 -1.8 0 0.0 0 0.0 9 35
352 A 352 LEU L G e > TS+ 0 0 -57.2 -36.7 179.8 68.2 116.5 33.9 373 -1.2 355 -2.1 0 0.0 0 0.0 10 48
353 A 353 GLU E G T 3 TS+ 0 0 -56.8 -23.0 -179.8 57.4 95.2 40.9 0 0.0 0 0.0 0 0.0 0 0.0 7 38
354 A 354 SER S G h > X T + 0 0 -94.6 18.5 -179.2 121.4 69.2 81.7 351 -1.8 358 -1.5 0 0.0 357 -1.4 8 34
355 A 355 VAL V H H > < TS+ 0 0 -48.9 -46.3 -179.7 54.1 70.7 28.8 352 -2.1 359 -2.2 0 0.0 0 0.0 11 52
356 A 356 ASN N H H > 3 TS+ 0 0 -63.7 -24.1 178.2 54.4 106.1 40.9 0 0.0 360 -1.8 0 0.0 0 0.0 9 48
357 A 357 ASP D H H > < TS+ 0 0 -75.9 -39.3 179.4 47.6 108.3 28.5 354 -1.4 361 -1.9 0 0.0 0 0.0 7 39
358 A 358 ALA A H H X TS+ 0 0 -66.1 -42.5 179.3 50.5 111.9 27.5 354 -1.5 362 -2.2 0 0.0 0 0.0 10 46
359 A 359 ILE I H H X TS+ 0 0 -61.7 -43.4 179.6 51.3 109.4 21.1 355 -2.2 363 -2.6 0 0.0 0 0.0 10 53
360 A 360 ASP D H H X TS+ 0 0 -62.4 -39.8 178.7 52.7 107.5 29.1 356 -1.8 364 -1.2 0 0.0 0 0.0 8 37
361 A 361 LEU L H H < >>TS+ 0 0 -60.6 -49.0 179.6 45.9 111.5 18.6 357 -1.9 366 -2.7 0 0.0 364 -0.8 10 33
362 A 362 MET M H H < >5TS+ 0 0 -59.2 -42.0 -179.5 60.3 106.2 24.8 358 -2.2 365 -2.0 0 0.0 0 0.0 11 45
363 A 363 LYS K H H < 35TS+ 0 0 -57.3 -29.3 -179.2 37.8 113.3 38.8 359 -2.6 0 0.0 0 0.0 0 0.0 8 34
364 A 364 HIS H T h < <5TS- 0 0 -111.7 19.4 179.7 -114.9 111.4 80.6 360 -1.2 0 0.0 361 -0.8 0 0.0 6 30
365 A 365 GLY G T T <5TS+ 0 0 52.0 33.2 -179.0 138.5 71.6 37.1 362 -2.0 0 0.0 0 0.0 0 0.0 8 40
366 A 366 LYS K t >>55<<< 5-turns
3-turns >33< >33< >33< >33< >33< >33< >33< 3-turns
bridge-2 A BB DDDDD*DD B GG HHH bridge-2
bridge-1 AAAAAAAB AAAAAAA CCCCC EEE ff DDDDD*DD GG bridge-1
sheets AAAAAAA AAAAAAA BBBBBBBBBB AA BBBBBBBB BBBB sheets
4-turns >>>>XX<<<< 4-turns
summary tTTt EEEEEEEB tTTt EEEEEEEe tTeEEEEEEEEEEehHHHHHHHHhTttTTt eEE eEEEEEEEEeTTt S tTTeEEEEeSS SS summary
sequence ATVGKVIKCKAAVAWEANKPLVIEEIEVDVPHANEIRIKIIATGVCHTDLYHLFEGKHKDGFPVVLGHEGAGIVESVGPGVTEFQPGEKVIPLFISQCGE sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand SHHHH TT S SGGGT TTTTS S EEETTEEEEEGGGT SBSEEEEEGGGEEE TT HHHHGGGGTHHHHHHHHHHTTT TT EEEEE Kabs/Sand
chirality -++++-++-+--++-+++++++-+--+--+++--+-------+++++-++-+--+++-----++--+++++++-+++++++++++++----++-+---+- chirality
bends SSSSS SS S SSSSS SSSSS S SSS SSS SSSS SSS SS SSSSSSSSSSSSSSSSSSSSSS SS bends
turns TTTTTTTTT TTTTTTTTTTT TTTT TTTTTT TTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTT turns
5-turns >5555< >5555< >>>55<<< 5-turns
3-turns >33X33< >>3<< >33< >>3<< >>3<< >33<>33X>>X<<< >33< >33< 3-turns
bridge-2 III kkkk bridge-2
bridge-1 BB IIIff A CCCCC HHH jjjjj bridge-1
sheets AAA AAAAA BBBBB BBB CCCCC sheets
4-turns >>44<< >444X444< >444< >>44<< >>>>XXXX<<<< 4-turns
summary hHHHHhTTt S gGGGgtTTTTt S eEEETTEEEEEeGGgt SBeEEEEEeTeEEEetTTthHHHHhGGGhHHHHHHHHHHhTTt tTTeEEEEEe summary
sequence CRFCQSPKTNQCVKGWANESPDVMSPKETRFTCKGRKVLQFLGTSTFSQYTVVNQIAVAKIDPSAPLDTVCLLGCGVSTGFGAAVNTAKVEPGSTCAVFG sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand SHHHHHHHHHHHHTT SEEEEE S GGGHHHHHHTT EEE GGG SS HHHHHHHHHTS BSEEEE S HHHHHHHHHTB TTT EEEE S SSS Kabs/Sand
chirality +-++++++++++++-+-+----+-+-+++++++++-+-+-+--+++-+--++++++++-----++--++-+-++++++++++--+++----++-+-++-- chirality
bends SSSSSSSSSSSSSS S S SSSSSSSSSSS SSS SS SSSSSSSSSSS S S SSSSSSSSSSS SSS S SSS bends
turns TTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTTT TTTTTTTTTTTT TTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >>3<< >33< >>3<< >33< >>3<< 3-turns
bridge-2 lll mmmm nnnn bridge-2
bridge-1 jjjjj lll c kkkk c mmmm bridge-1
sheets CCCCC CCC CCCC CCCC sheets
4-turns >>>>XXXXXX<<<< >>>><<<< >>>>XXX<<<< >>>>XXX<<<< >444< 4-turns
summary hHHHHHHHHHHHHhTtSEEEEEeSgGGhHHHHHHhTt EEEgGGGgSShHHHHHHHHHht BeEEEEeS hHHHHHHHHHhBtTTTeEEEEeS SSS summary
sequence LGAVGLAAVMGCHSAGAKRIIAVDLNPDKFEKAKVFGATDFVNPNDHSEPISQVLSKMTNGGVDFSLECVGNVGVMRNALESCLKGWGVSVLVGWTDLHD sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHTT EEEE SGGG HHHHHHHHHHHHHTTSS GGGEEEEEEGGGHHHHHHHHHTT SEEEEE Kabs/Sand
chirality ++--+++++-+--+------+--+++++++++++++-++-+++++++-+--++++++++++++-++------ chirality
bends SSSSSSS SSSS SSSSSSSSSSSSSSSSS SSS SS SSSSSSSSSSS S bends
turns TTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >>3>3<<>33< >33< >>3<< >>3X<3< >>3<< 3-turns
bridge-2 ooooo bridge-2
bridge-1 nnnn o*oooo EEE bridge-1
sheets CCCC BBBBBB BBBBB sheets
4-turns >>>4<<< >>4>XX>XXXX<<<< >>>>XXX<<<< 4-turns
summary hHHHHHhTtEEEEegGGGghHHHHHHHHHHHHHhTtS gGGeEEEEEEeThHHHHHHHHHhTt SEEEEEe summary
sequence VATRPIQLIAGRTWKGSMFGGFKGKDGVPKMVKAYLDKKVKLDEFITHRMPLESVNDAIDLMKHGKCIRTVLSL sequence
310 320 330 340 350 360 370