Secondary structure calculation program - copyright by David Keith Smith, 1989
1gk8A.pdb
1GK8 LYASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 464
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 7 THR T 0 0 999.9 29.7 177.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 5
2 A 8 LYS K - 0 0 -55.2 157.5 178.5 -95.4 999.9 97.7 0 0.0 0 0.0 0 0.0 0 0.0 3 5
3 A 9 ALA A - 0 0 -81.6 134.3 172.7 -149.1 36.2 128.4 0 0.0 0 0.0 0 0.0 0 0.0 5 7
4 A 10 GLY G - 0 0 -85.5 178.7 178.4 -59.5 46.4 110.7 0 0.0 0 0.0 0 0.0 0 0.0 4 8
5 A 11 ALA A S S S+ 0 0 -60.9 129.2 -178.7 168.0 71.3 114.9 0 0.0 0 0.0 0 0.0 0 0.0 4 21
6 A 12 GLY G - 0 0 -126.1 -161.7 175.5 -57.9 40.3 117.8 0 0.0 8 -0.6 0 0.0 0 0.0 6 19
7 A 13 PHE F - 0 0 -86.9 122.1 169.4 -179.6 44.1 141.2 0 0.0 9 -0.5 0 0.0 0 0.0 8 21
8 A 14 LYS K - 0 0 -119.2 112.7 -179.9 -138.0 22.7 165.1 6 -0.6 0 0.0 0 0.0 0 0.0 6 20
9 A 15 ALA A + 0 0 -67.0 147.9 174.2 59.8 56.7 108.2 7 -0.5 0 0.0 0 0.0 0 0.0 8 18
10 A 16 GLY G S S S- 0 0 124.3 172.2 -177.9 -54.5 83.2 120.0 0 0.0 62 -2.3 0 0.0 0 0.0 6 18
11 A 17 VAL V + 0 0 -86.1 134.1 167.8 166.8 48.1 130.0 0 0.0 0 0.0 0 0.0 0 0.0 7 20
12 A 18 LYS K - 0 0 -135.2 167.1 -179.8 -75.1 46.4 154.7 0 0.0 0 0.0 0 0.0 0 0.0 7 27
13 A 19 ASP D t > T - 0 0 -61.5 140.4 174.0 -135.1 32.0 112.8 0 0.0 16 -1.1 0 0.0 0 0.0 6 34
14 A 20 TYR Y T h > > TS+ 0 0 -61.4 -32.6 -175.9 70.2 100.7 32.2 0 0.0 18 -2.7 0 0.0 17 -1.8 11 44
15 A 21 ARG R H H > 3 TS+ 0 0 -64.1 -22.0 175.3 71.1 82.8 40.1 0 0.0 19 -1.1 0 0.0 0 0.0 12 46
16 A 22 LEU L H H 4 < TS+ 0 0 -62.1 -26.3 178.4 14.5 120.0 38.7 13 -1.1 0 0.0 0 0.0 0 0.0 7 40
17 A 23 THR T H H 4 < TS+ 0 0 -113.4 -32.0 -162.6 39.6 133.6 46.6 14 -1.8 0 0.0 0 0.0 0 0.0 7 49
18 A 24 TYR Y H H < TS+ 0 0 -115.3 -3.6 171.1 82.1 90.7 67.3 14 -2.7 78 -2.9 0 0.0 20 -0.7 14 51
19 A 25 TYR Y B h < a T + 78 0 -101.9 106.8 -174.0 161.3 50.0 157.9 15 -1.1 0 0.0 0 0.0 0 0.0 15 47
20 A 26 THR T t > T + 0 0 -130.2 79.1 -175.1 171.1 9.6 127.2 78 -2.6 23 -2.0 18 -0.7 0 0.0 11 41
21 A 27 PRO P T T 3 TS+ 0 0 -70.2 -13.4 177.6 54.2 78.1 52.8 0 0.0 0 0.0 0 0.0 0 0.0 7 32
22 A 28 ASP D T T 3 TS+ 0 0 -101.9 8.0 177.5 127.1 78.7 72.8 0 0.0 0 0.0 0 0.0 0 0.0 5 23
23 A 29 TYR Y t < T - 0 0 -66.0 131.1 172.1 -144.1 53.9 118.4 20 -2.0 25 -0.7 0 0.0 0 0.0 7 33
24 A 30 VAL V - 0 0 -94.2 113.4 -175.7 -126.2 25.1 152.1 0 0.0 0 0.0 0 0.0 0 0.0 4 25
25 A 31 VAL V - 0 0 -63.3 145.1 175.3 -129.6 19.0 105.4 23 -0.7 0 0.0 0 0.0 0 0.0 6 35
26 A 32 ARG R t > T - 0 0 -89.3 155.1 -179.5 -118.4 17.6 132.6 0 0.0 29 -1.6 0 0.0 0 0.0 5 35
27 A 33 ASP D T T 3 TS+ 0 0 -72.5 -10.7 169.6 51.7 115.2 52.1 0 0.0 0 0.0 0 0.0 0 0.0 5 28
28 A 34 THR T T T 3 TS+ 0 0 -97.3 -2.9 179.3 110.9 86.1 63.6 0 0.0 0 0.0 0 0.0 0 0.0 9 37
29 A 35 ASP D t < T - 0 0 -70.2 142.3 166.2 -130.5 68.4 118.2 26 -1.6 0 0.0 0 0.0 0 0.0 11 48
30 A 36 ILE I E E AA - 97 0 -83.6 126.9 180.0 -154.9 29.8 145.1 97 -2.7 97 -2.9 0 0.0 0 0.0 11 65
31 A 37 LEU L E E AAB - 96 132 -108.9 142.0 176.2 -164.9 9.8 151.6 132 -1.5 132 -2.5 0 0.0 0 0.0 11 63
32 A 38 ALA A E E AAB - 95 131 -123.6 141.2 172.2 -155.4 10.2 167.1 95 -2.6 95 -2.4 0 0.0 34 -0.6 13 71
33 A 39 ALA A E E AAB - 94 130 -113.4 110.7 -179.1 -170.8 19.0 164.0 130 -2.3 129 -2.9 0 0.0 130 -1.1 13 69
34 A 40 PHE F E E AAB - 93 128 -105.8 126.9 167.5 -144.7 21.8 156.0 93 -3.0 93 -3.0 32 -0.6 36 -0.8 14 75
35 A 41 ARG R E E AAB - 92 127 -83.6 110.2 -167.5 -168.7 35.8 143.2 127 -3.4 127 -2.0 0 0.0 0 0.0 14 64
36 A 42 MET M E E AAB - 91 126 -116.6 133.5 176.6 -168.3 25.5 150.6 91 -3.5 91 -2.1 34 -0.8 0 0.0 15 59
37 A 43 THR T E E A B - 0 125 -119.2 99.6 -177.0 -154.4 21.4 154.5 125 -2.5 124 -3.3 0 0.0 125 -1.2 12 50
38 A 44 PRO P E E A B - 0 123 -71.5 153.3 167.1 -107.7 19.7 107.1 0 0.0 0 0.0 0 0.0 0 0.0 14 42
39 A 45 GLN Q e > T - 0 0 -66.3 154.5 171.9 -80.8 53.7 116.3 122 -2.3 42 -1.9 0 0.0 0 0.0 9 32
40 A 46 PRO P T T 3 TS+ 0 0 -54.1 134.1 178.1 25.6 120.1 109.1 0 0.0 0 0.0 0 0.0 0 0.0 4 21
41 A 47 GLY G T T 3 TS+ 0 0 90.2 -5.6 176.8 111.5 93.7 66.4 0 0.0 0 0.0 0 0.0 0 0.0 4 19
42 A 48 VAL V t < T - 0 0 -104.1 109.7 178.1 -132.7 67.1 154.4 39 -1.9 0 0.0 0 0.0 0 0.0 9 31
43 A 49 PRO P h > > T - 0 0 -55.0 145.9 179.4 -122.0 17.0 105.4 0 0.0 47 -2.5 0 0.0 46 -0.5 7 36
44 A 50 PRO P H H > 3 TS+ 0 0 -59.8 -37.7 177.2 56.2 113.0 28.9 0 0.0 48 -3.1 0 0.0 0 0.0 9 51
45 A 51 GLU E H H > 3 TS+ 0 0 -61.1 -41.5 178.7 44.9 110.0 29.4 0 0.0 49 -1.8 0 0.0 0 0.0 9 47
46 A 52 GLU E H H > < TS+ 0 0 -70.9 -40.3 178.5 49.3 113.8 28.2 43 -0.5 50 -2.4 0 0.0 0 0.0 12 53
47 A 53 CYS C H H X TS+ 0 0 -63.6 -45.6 177.3 46.3 113.3 19.8 43 -2.5 51 -2.2 0 0.0 0 0.0 13 62
48 A 54 GLY G H H X TS+ 0 0 -62.3 -41.5 176.8 50.8 112.7 25.4 44 -3.1 52 -2.6 0 0.0 0 0.0 16 68
49 A 55 ALA A H H X TS+ 0 0 -64.5 -39.0 176.2 52.1 108.3 27.0 45 -1.8 53 -3.0 0 0.0 0 0.0 15 62
50 A 56 ALA A H H X TS+ 0 0 -61.8 -44.2 178.8 48.7 110.2 23.6 46 -2.4 54 -2.8 0 0.0 0 0.0 12 66
51 A 57 VAL V H H X TS+ 0 0 -61.5 -47.7 177.5 45.6 114.6 18.2 47 -2.2 55 -0.8 0 0.0 0 0.0 10 69
52 A 58 ALA A H H < TS+ 0 0 -59.5 -48.3 -177.8 45.4 116.3 22.2 48 -2.6 0 0.0 0 0.0 0 0.0 15 71
53 A 59 ALA A H H < >>TS+ 0 0 -61.9 -49.6 -171.4 46.5 113.4 19.0 49 -3.0 58 -2.5 0 0.0 56 -1.6 15 60
54 A 60 GLU E H H < 35TS+ 0 0 -83.1 0.5 169.5 51.5 112.3 59.2 50 -2.8 0 0.0 0 0.0 0 0.0 11 54
55 A 61 SER S T h < 35TS+ 0 0 -108.5 12.3 -175.7 18.2 126.1 75.3 51 -0.8 0 0.0 0 0.0 0 0.0 14 56
56 A 62 SER S T T <5TS- 0 0 -141.5 -80.8 -167.9 -26.9 128.0 62.1 53 -1.6 0 0.0 0 0.0 0 0.0 13 53
57 A 63 THR T T T 5TS+ 0 0 -131.1 -11.2 -165.7 91.0 96.1 57.3 0 0.0 0 0.0 0 0.0 0 0.0 10 50
58 A 64 GLY G t T - 0 0 -110.7 143.7 -173.5 -140.3 16.0 152.7 0 0.0 66 -1.0 0 0.0 0 0.0 7 28
64 A 70 TRP W G G > TS+ 0 0 -72.4 -26.7 -176.1 74.4 93.4 37.5 0 0.0 67 -1.7 0 0.0 0 0.0 8 22
65 A 71 THR T G G > > TS+ 0 0 -66.6 -14.6 172.0 80.2 74.5 43.7 0 0.0 68 -1.8 0 0.0 69 -0.5 6 23
66 A 72 ASP D G G 4 X TS+ 0 0 -53.1 -35.6 -175.7 63.5 85.5 32.6 63 -1.0 69 -1.2 0 0.0 0 0.0 8 29
67 A 73 GLY G G G 4 < TS+ 0 0 -69.3 -18.5 176.9 61.5 91.5 49.1 64 -1.7 0 0.0 0 0.0 0 0.0 9 22
68 A 74 LEU L G G 4 < TS+ 0 0 -78.3 -18.1 -178.9 29.7 115.2 47.3 65 -1.8 0 0.0 0 0.0 0 0.0 5 17
69 A 75 THR T S g < < TS- 0 0 -124.4 -165.9 -179.3 -92.5 95.4 113.7 66 -1.2 71 -0.5 65 -0.5 0 0.0 6 20
70 A 76 SER S h > > T - 0 0 -120.8 100.8 178.8 -174.0 25.5 151.8 0 0.0 74 -1.4 0 0.0 73 -0.6 8 24
71 A 77 LEU L H H > 3 TS+ 0 0 -62.7 -32.8 172.2 62.6 87.6 29.3 69 -0.5 75 -3.1 0 0.0 0 0.0 9 39
72 A 78 ASP D H H 4 3 TS+ 0 0 -52.7 -45.0 -178.4 45.7 106.1 24.9 0 0.0 0 0.0 0 0.0 0 0.0 5 37
73 A 79 ARG R H H 4 < TS+ 0 0 -68.2 -36.9 -166.7 25.8 126.5 34.1 70 -0.6 0 0.0 0 0.0 0 0.0 5 32
74 A 80 TYR Y H H < TS+ 0 0 -107.9 -22.9 -169.6 112.5 87.9 47.8 70 -1.4 0 0.0 0 0.0 0 0.0 11 42
75 A 81 LYS K h < T - 0 0 -64.3 143.6 165.3 -122.4 64.6 102.8 71 -3.1 0 0.0 0 0.0 0 0.0 13 54
76 A 82 GLY G - 0 0 -72.2 148.4 -171.1 -146.5 32.8 121.6 0 0.0 0 0.0 0 0.0 0 0.0 13 63
77 A 83 ARG R E E AC - 96 0 -130.2 116.7 167.3 -148.9 17.2 164.3 96 -2.2 96 -2.5 0 0.0 79 -0.8 14 57
78 A 84 CYS C E E ACa + 95 19 -76.6 109.5 -166.9 167.8 32.0 140.4 18 -2.9 20 -2.6 0 0.0 0 0.0 17 59
79 A 85 TYR Y E E A* + 0 0 -111.4 -7.7 178.3 18.3 54.6 60.4 94 -1.9 0 0.0 77 -0.8 0 0.0 13 46
80 A 86 ASP D E E AC - 94 0 -162.6 143.9 175.9 -165.1 53.7 162.9 94 -1.0 94 -3.1 0 0.0 0 0.0 9 43
81 A 87 ILE I E E AC - 93 0 -134.2 122.9 177.9 -169.9 11.1 171.1 0 0.0 0 0.0 0 0.0 0 0.0 12 47
82 A 88 GLU E E E AC - 92 0 -111.3 138.2 166.8 -121.8 23.0 158.2 92 -2.7 92 -3.2 0 0.0 0 0.0 7 37
83 A 89 PRO P E E AC - 91 0 -62.4 150.3 171.3 -125.1 26.7 112.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28
84 A 90 VAL V e > T - 0 0 -101.8 119.0 179.0 -125.3 24.3 160.4 90 -1.7 87 -1.9 0 0.0 0 0.0 10 33
85 A 91 PRO P T T 3 TS+ 0 0 -64.2 134.9 -174.0 25.9 97.8 115.8 0 0.0 0 0.0 0 0.0 0 0.0 5 21
86 A 92 GLY G T T 3 TS+ 0 0 93.4 -11.3 -173.0 91.0 111.2 75.9 0 0.0 0 0.0 0 0.0 0 0.0 4 17
87 A 93 GLU E t < T - 0 0 -125.0 126.8 178.3 -172.4 51.6 166.7 84 -1.9 0 0.0 0 0.0 0 0.0 7 23
88 A 94 ASP D S S S+ 0 0 -90.8 -11.9 -178.5 29.2 93.4 50.5 0 0.0 0 0.0 0 0.0 0 0.0 7 24
89 A 95 ASN N S S S+ 0 0 -139.1 24.6 169.2 95.0 98.0 88.2 0 0.0 0 0.0 0 0.0 0 0.0 7 36
90 A 96 GLN Q e + 0 0 -114.5 137.2 178.6 176.0 46.3 165.9 0 0.0 84 -1.7 0 0.0 0 0.0 11 44
91 A 97 TYR Y E E AAC - 36 83 -131.4 149.8 165.7 -129.0 31.1 164.9 36 -2.1 36 -3.5 0 0.0 93 -0.7 13 49
92 A 98 ILE I E E AAC - 35 82 -96.9 113.4 175.5 -165.1 28.5 159.1 82 -3.2 82 -2.7 0 0.0 94 -0.5 12 59
93 A 99 ALA A E E AAC - 34 81 -98.1 127.0 179.7 -151.5 5.6 153.6 34 -3.0 34 -3.0 91 -0.7 0 0.0 14 64
94 A 100 TYR Y E E AAC - 33 80 -102.1 126.9 -177.6 -171.2 13.2 150.8 80 -3.1 79 -1.9 92 -0.5 80 -1.0 13 63
95 A 101 VAL V E E AAC - 32 78 -122.4 131.5 176.7 -153.0 10.1 166.4 32 -2.4 32 -2.6 0 0.0 0 0.0 15 71
96 A 102 ALA A E E AAC 31 77 -104.9 132.2 -179.3 999.9 999.9 156.2 77 -2.5 77 -2.2 0 0.0 0 0.0 12 61
97!A 103 TYR Y E E AA 30 0 -120.2 999.9 999.9 999.9 999.9 164.6 30 -2.9 30 -2.7 0 0.0 0 0.0 12 61
98!A 105 ILE I t > T 0 0 999.9 -24.3 175.0 999.9 999.9 999.9 0 0.0 101 -1.8 0 0.0 0 0.0 8 45
99 A 106 ASP D T T 3 T + 0 0 -63.3 -17.0 179.1 70.1 999.9 49.2 0 0.0 0 0.0 0 0.0 0 0.0 5 38
100 A 107 LEU L T T 3 TS+ 0 0 -71.7 -17.1 -166.9 76.2 90.2 50.2 0 0.0 0 0.0 0 0.0 0 0.0 7 47
101 A 108 PHE F S t < TS- 0 0 -110.1 141.7 169.9 -123.6 78.2 139.9 98 -1.8 0 0.0 0 0.0 0 0.0 8 44
102 A 109 GLU E t > T - 0 0 -73.8 129.7 176.8 -107.3 42.9 133.1 0 0.0 105 -1.7 0 0.0 0 0.0 8 36
103 A 110 GLU E T T 3 TS+ 0 0 -56.3 131.8 172.6 4.6 98.1 103.9 0 0.0 0 0.0 0 0.0 0 0.0 7 35
104 A 111 GLY G T T 3 TS+ 0 0 73.6 11.8 -174.4 120.7 99.5 59.4 0 0.0 106 -0.7 0 0.0 0 0.0 10 43
105 A 112 SER S h > < T + 0 0 -119.9 99.4 172.7 173.9 32.8 143.0 102 -1.7 109 -2.0 0 0.0 0 0.0 11 44
106 A 113 VAL V H H > TS+ 0 0 -63.1 -38.8 174.1 62.5 87.5 22.7 104 -0.7 110 -2.8 0 0.0 0 0.0 11 52
107 A 114 THR T H H > TS+ 0 0 -48.1 -50.9 -179.4 45.5 104.7 22.0 0 0.0 111 -2.1 0 0.0 0 0.0 8 42
108 A 115 ASN N H H > TS+ 0 0 -63.5 -43.0 -178.6 52.8 110.7 23.7 0 0.0 112 -2.0 0 0.0 0 0.0 9 37
109 A 116 MET M H H X TS+ 0 0 -61.5 -47.1 175.7 43.8 112.9 19.2 105 -2.0 113 -2.4 0 0.0 0 0.0 10 57
110 A 117 PHE F H H X TS+ 0 0 -62.5 -36.9 -177.1 61.9 106.6 30.0 106 -2.8 114 -2.7 0 0.0 0 0.0 9 60
111 A 118 THR T H H X TS+ 0 0 -60.9 -41.8 173.5 35.7 113.0 24.1 107 -2.1 115 -0.6 0 0.0 0 0.0 9 39
112 A 119 SER S H H < TS+ 0 0 -67.9 -58.6 -163.8 39.9 123.3 14.0 108 -2.0 0 0.0 0 0.0 0 0.0 10 47
113 A 120 ILE I H H < TS+ 0 0 -71.9 -33.2 -177.2 13.2 136.9 32.6 109 -2.4 0 0.0 0 0.0 0 0.0 10 64
114 A 121 VAL V H H < TS+ 0 0 -123.9 13.0 -172.0 103.9 97.7 74.6 110 -2.7 0 0.0 0 0.0 0 0.0 10 56
115 A 122 GLY G S h < TS- 0 0 -66.1 -54.7 -173.6 -13.0 100.8 20.0 111 -0.6 0 0.0 0 0.0 0 0.0 9 36
116 A 123 ASN N S g > TS+ 0 0 -123.7 -21.9 -168.2 85.9 109.5 50.1 0 0.0 119 -1.6 0 0.0 0 0.0 10 39
117 A 124 VAL V G G > TS+ 0 0 -68.2 -19.6 -177.5 66.4 80.1 41.7 0 0.0 120 -1.3 0 0.0 0 0.0 11 51
118 A 125 PHE F G G 3 TS+ 0 0 -74.4 -17.4 -179.5 51.8 100.7 49.7 0 0.0 0 0.0 0 0.0 0 0.0 10 46
119 A 126 GLY G G G < TS+ 0 0 -98.7 1.8 -178.3 129.2 76.4 66.9 116 -1.6 0 0.0 0 0.0 0 0.0 6 37
120 A 127 PHE F g X T - 0 0 -62.3 137.2 176.4 -140.2 57.4 110.9 117 -1.3 123 -1.5 0 0.0 0 0.0 7 38
121 A 128 LYS K T T 3 TS+ 0 0 -63.1 -31.3 -177.2 69.6 97.7 33.6 0 0.0 0 0.0 0 0.0 0 0.0 6 26
122 A 129 ALA A T e 3 TS+ 0 0 -71.0 -7.7 169.4 56.8 97.9 53.9 0 0.0 39 -2.3 0 0.0 0 0.0 8 36
123 A 130 LEU L E E AB < T - 38 0 -121.0 154.0 180.0 -159.1 62.0 153.4 120 -1.5 0 0.0 0 0.0 0 0.0 13 43
124 A 131 ARG R E E A* S- 0 0 -95.6 -27.6 -178.7 -1.8 79.7 45.8 37 -3.3 0 0.0 0 0.0 0 0.0 8 38
125 A 132 ALA A E E AB - 37 0 -162.7 152.5 -179.8 -171.1 59.0 166.3 37 -1.2 37 -2.5 0 0.0 0 0.0 10 46
126 A 133 LEU L E E AB - 36 0 -152.3 132.8 176.1 -175.0 1.6 166.0 0 0.0 298 -2.3 0 0.0 0 0.0 13 54
127 A 134 ARG R E E ABd - 35 298 -133.2 126.0 173.5 -141.0 21.1 171.3 35 -2.0 35 -3.4 0 0.0 129 -0.8 14 60
128 A 135 LEU L E E ABd + 34 299 -82.0 113.9 -174.9 175.1 25.6 140.4 298 -2.6 300 -2.8 0 0.0 0 0.0 15 68
129 A 136 GLU E E E A* - 0 0 -90.4 -37.6 -176.0 -7.0 56.2 36.1 33 -2.9 0 0.0 127 -0.8 0 0.0 14 66
130 A 137 ASP D E E AB - 33 0 -159.1 157.7 174.6 -151.4 48.9 171.9 33 -1.1 33 -2.3 0 0.0 0 0.0 13 66
131 A 138 LEU L E E AB - 32 0 -131.4 132.3 169.8 -142.6 15.1 174.6 0 0.0 133 -0.8 0 0.0 0 0.0 12 69
132 A 139 ARG R E E AB - 31 0 -91.9 107.8 177.3 -164.1 19.2 149.6 31 -2.5 31 -1.5 0 0.0 0 0.0 10 59
133 A 140 ILE I - 0 0 -92.8 108.2 -175.6 -139.9 16.1 147.7 131 -0.8 0 0.0 0 0.0 0 0.0 12 66
134 A 141 PRO P h > > T - 0 0 -70.4 152.4 177.3 -113.5 18.2 112.6 0 0.0 138 -2.7 0 0.0 137 -1.5 13 50
135 A 142 PRO P H H > 3 TS+ 0 0 -50.1 -39.4 -179.7 61.0 115.3 30.3 0 0.0 139 -2.5 0 0.0 0 0.0 9 39
136 A 143 ALA A H H 4 3 TS+ 0 0 -63.9 -29.3 172.9 38.1 112.2 36.3 0 0.0 0 0.0 0 0.0 0 0.0 7 33
137 A 144 TYR Y H H 4 X TS+ 0 0 -85.4 -37.6 174.5 58.3 111.3 31.6 134 -1.5 140 -1.9 0 0.0 0 0.0 12 43
138 A 145 VAL V H H < > TS+ 0 0 -53.2 -42.0 -178.1 60.9 99.4 24.7 134 -2.7 141 -2.0 0 0.0 0 0.0 11 49
139 A 146 LYS K T h < 3 TS+ 0 0 -67.1 -9.8 175.3 67.4 91.3 52.6 135 -2.5 0 0.0 0 0.0 0 0.0 8 35
140 A 147 THR T T T < TS+ 0 0 -85.1 -4.0 -178.4 82.4 89.6 59.7 137 -1.9 0 0.0 0 0.0 0 0.0 8 37
141 A 148 PHE F t < T - 0 0 -103.3 141.2 169.0 -149.2 67.5 146.3 138 -2.0 0 0.0 0 0.0 0 0.0 11 47
142 A 149 VAL V 0 0 -62.2 -44.1 -177.4 999.9 999.9 24.3 0 0.0 0 0.0 0 0.0 0 0.0 10 44
143!A 150 GLY G 0 0 74.8 999.9 999.9 999.9 999.9 110.8 310 -0.8 0 0.0 0 0.0 0 0.0 11 62
144!A 152 PRO P 0 0 999.9 -48.0 -172.6 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 15 51
145 A 153 HIS H - 0 0 -128.7 -58.0 -176.9 -151.6 999.9 57.1 0 0.0 0 0.0 0 0.0 0 0.0 11 51
146 A 154 GLY G h > T - 0 0 86.2 167.4 -161.7 -55.7 43.7 98.7 0 0.0 150 -2.8 0 0.0 0 0.0 13 59
147 A 155 ILE I H H > TS+ 0 0 -55.9 -48.9 -176.0 44.9 129.4 32.4 362 -1.6 151 -2.5 0 0.0 0 0.0 13 54
148 A 156 A GLN Q H H > TS+ 0 0 -63.6 -49.1 179.3 45.6 116.7 18.9 0 0.0 152 -2.4 0 0.0 0 0.0 7 37
149 A 157 VAL V H H > TS+ 0 0 -61.6 -41.2 177.6 53.7 111.7 24.7 0 0.0 153 -2.6 0 0.0 0 0.0 8 36
150 A 158 GLU E H H X TS+ 0 0 -58.8 -49.5 176.6 45.9 109.8 19.0 146 -2.8 154 -2.4 0 0.0 0 0.0 11 53
151 A 159 ARG R H H X >TS+ 0 0 -59.4 -40.1 179.0 51.4 113.4 25.8 147 -2.5 156 -1.7 0 0.0 155 -1.5 10 43
152 A 160 ASP D H H < 5TS+ 0 0 -65.8 -38.5 177.8 46.3 111.0 29.1 148 -2.4 0 0.0 0 0.0 0 0.0 8 29
153 A 161 LYS K H H < 5TS+ 0 0 -69.9 -37.7 -178.6 40.6 119.3 25.2 149 -2.6 0 0.0 0 0.0 0 0.0 6 32
154 A 162 LEU L H H < 5TS- 0 0 -82.1 -18.0 -173.8 -133.3 101.6 49.3 150 -2.4 0 0.0 0 0.0 0 0.0 7 46
155 A 163 ASN N T h < 5T + 0 0 61.2 43.6 -175.7 141.2 58.4 26.8 151 -1.5 0 0.0 0 0.0 0 0.0 7 29
156 A 164 LYS K t T - 0 0 -76.5 164.4 177.6 -105.8 27.7 107.6 0 0.0 177 -2.5 0 0.0 0 0.0 9 33
174 A 182 ALA A H H > TS+ 0 0 -56.4 -46.5 -177.3 47.5 121.0 23.4 0 0.0 178 -2.2 0 0.0 0 0.0 12 41
175 A 183 LYS K H H > TS+ 0 0 -69.3 -38.7 174.0 49.3 111.6 25.1 0 0.0 179 -2.2 0 0.0 0 0.0 9 35
176 A 184 ASN N H H > TS+ 0 0 -65.1 -32.1 175.5 56.2 108.1 31.4 0 0.0 180 -2.6 0 0.0 0 0.0 8 40
177 A 185 TYR Y H H X TS+ 0 0 -60.3 -49.1 179.6 43.9 110.0 15.6 173 -2.5 181 -2.5 0 0.0 0 0.0 13 54
178 A 186 GLY G H H X TS+ 0 0 -63.7 -39.1 177.0 54.0 111.6 31.8 174 -2.2 182 -2.9 0 0.0 0 0.0 14 56
179 A 187 ARG R H H X TS+ 0 0 -60.0 -47.7 177.8 45.1 111.3 18.1 175 -2.2 183 -2.2 0 0.0 0 0.0 9 42
180 A 188 ALA A H H X TS+ 0 0 -62.1 -42.8 179.8 50.7 113.7 24.3 176 -2.6 184 -2.3 0 0.0 0 0.0 10 61
181 A 189 VAL V H H X TS+ 0 0 -62.0 -49.6 176.6 49.2 109.2 21.1 177 -2.5 185 -2.9 0 0.0 0 0.0 14 67
182 A 190 TYR Y H H X TS+ 0 0 -55.0 -49.5 -176.4 48.6 112.3 21.8 178 -2.9 186 -2.4 0 0.0 0 0.0 13 59
183 A 191 GLU E H H X TS+ 0 0 -64.0 -36.4 175.2 45.7 114.8 27.3 179 -2.2 187 -0.7 0 0.0 0 0.0 11 57
184 A 192 CYS C H H < >>TS+ 0 0 -66.3 -52.7 -175.3 44.5 115.0 16.6 180 -2.3 189 -1.2 0 0.0 187 -0.9 17 65
185 A 193 LEU L H H < >5TS+ 0 0 -63.4 -37.7 -173.8 59.1 107.3 27.1 181 -2.9 188 -1.6 0 0.0 0 0.0 17 62
186 A 194 ARG R H H < 35TS+ 0 0 -69.9 -20.1 179.0 60.2 98.5 45.6 182 -2.4 0 0.0 0 0.0 0 0.0 13 50
187 A 195 GLY G T h < <5TS- 0 0 -85.8 -4.0 175.5 -76.0 131.7 66.6 184 -0.9 0 0.0 183 -0.7 0 0.0 12 57
188 A 196 GLY G T T <5TS+ 0 0 128.6 -3.4 173.9 131.6 85.0 65.9 185 -1.6 0 0.0 0 0.0 0 0.0 12 62
189 A 197 LEU L t T - 0 0 -60.5 156.2 -177.4 -106.1 999.9 114.2 0 0.0 197 -2.1 0 0.0 0 0.0 9 59
195 A 204 GLU E T T 3 TS+ 0 0 -57.3 -34.1 -177.8 46.7 121.9 36.3 0 0.0 0 0.0 0 0.0 0 0.0 10 52
196 A 205 ASN N T T 3 TS+ 0 0 -92.6 1.5 170.9 103.6 84.2 66.3 0 0.0 198 -0.8 0 0.0 0 0.0 7 43
197 A 206 VAL V t < T + 0 0 -82.1 106.3 -178.7 127.0 40.4 138.9 194 -2.1 0 0.0 0 0.0 0 0.0 10 51
198 A 207 ASN N S S S- 0 0 -123.6 -92.4 169.3 -39.6 77.7 72.2 196 -0.8 0 0.0 0 0.0 0 0.0 11 55
199 A 208 SER S S S S+ 0 0 -144.8 124.1 -167.6 155.3 73.1 167.6 0 0.0 0 0.0 0 0.0 0 0.0 7 42
200 A 209 GLN Q B B B > T - 203 0 -145.7 165.3 -179.8 -92.5 56.3 156.6 203 -2.3 203 -1.4 0 0.0 0 0.0 8 30
201 A 210 PRO P T T 3 TS+ 0 0 -53.9 -37.8 -178.9 50.6 123.3 27.5 0 0.0 0 0.0 0 0.0 0 0.0 5 18
202 A 211 PHE F T T 3 TS+ 0 0 -75.6 -16.2 -177.0 10.0 129.9 48.5 0 0.0 0 0.0 0 0.0 0 0.0 7 25
203 A 212 MET M B B B < T - 200 0 -167.4 109.1 178.4 -148.0 69.8 137.7 200 -1.4 200 -2.3 0 0.0 0 0.0 12 34
204 A 213 ARG R h > T - 0 0 -82.8 145.6 -168.3 -121.2 26.4 126.5 0 0.0 208 -1.8 0 0.0 0 0.0 11 37
205 A 214 TRP W H H > TS+ 0 0 -60.0 -45.3 -171.2 50.6 106.0 28.8 0 0.0 209 -2.8 0 0.0 0 0.0 11 49
206 A 215 ARG R H H > TS+ 0 0 -68.7 -36.6 172.1 52.8 108.9 26.3 0 0.0 210 -2.1 0 0.0 0 0.0 7 43
207 A 216 ASP D H H > TS+ 0 0 -56.4 -47.1 177.5 46.9 111.9 23.1 0 0.0 211 -2.1 0 0.0 0 0.0 10 35
208 A 217 ARG R H H X TS+ 0 0 -60.4 -46.6 -176.7 54.8 108.5 22.4 204 -1.8 212 -3.1 0 0.0 0 0.0 14 53
209 A 218 PHE F H H X TS+ 0 0 -58.3 -41.7 -178.7 46.3 110.3 24.2 205 -2.8 213 -2.3 0 0.0 0 0.0 10 57
210 A 219 A LEU L H H X TS+ 0 0 -69.3 -45.7 179.5 44.1 114.9 22.2 206 -2.1 214 -2.0 0 0.0 0 0.0 9 46
211 A 220 PHE F H H X TS+ 0 0 -68.4 -35.9 173.9 52.1 113.7 27.2 207 -2.1 215 -2.2 0 0.0 0 0.0 12 42
212 A 221 VAL V H H X TS+ 0 0 -63.5 -41.6 174.1 54.0 106.5 23.7 208 -3.1 216 -3.0 0 0.0 0 0.0 13 60
213 A 222 ALA A H H X TS+ 0 0 -55.8 -46.1 179.8 50.1 108.0 20.8 209 -2.3 217 -2.5 0 0.0 0 0.0 11 51
214 A 223 GLU E H H X TS+ 0 0 -59.1 -46.0 179.9 47.3 112.7 19.6 210 -2.0 218 -2.4 0 0.0 0 0.0 9 42
215 A 224 ALA A H H X TS+ 0 0 -62.8 -44.6 177.6 50.7 110.7 26.9 211 -2.2 219 -2.6 0 0.0 0 0.0 12 53
216 A 225 ILE I H H X TS+ 0 0 -56.7 -52.0 -175.4 44.1 114.1 18.5 212 -3.0 220 -2.6 0 0.0 0 0.0 15 55
217 A 226 TYR Y H H X TS+ 0 0 -68.0 -33.8 176.3 50.7 113.4 28.7 213 -2.5 221 -2.3 0 0.0 0 0.0 9 43
218 A 227 LYS K H H X TS+ 0 0 -66.6 -45.7 -179.4 44.1 114.0 18.6 214 -2.4 222 -2.3 0 0.0 0 0.0 9 39
219 A 228 ALA A H H X TS+ 0 0 -68.1 -39.3 176.0 51.3 113.2 28.2 215 -2.6 223 -2.3 0 0.0 0 0.0 13 42
220 A 229 GLN Q H H X TS+ 0 0 -61.8 -44.6 179.5 46.1 112.2 20.6 216 -2.6 224 -2.2 0 0.0 0 0.0 13 37
221 A 230 ALA A H H < TS+ 0 0 -65.6 -37.3 -177.7 48.4 114.9 26.0 217 -2.3 0 0.0 0 0.0 0 0.0 8 25
222 A 231 GLU E H H < TS+ 0 0 -70.5 -40.1 -173.2 28.7 123.5 28.6 218 -2.3 0 0.0 0 0.0 0 0.0 7 26
223 A 232 THR T H H < TS- 0 0 -96.2 -23.0 -172.0 -133.1 92.0 47.9 219 -2.3 0 0.0 0 0.0 0 0.0 8 32
224 A 233 GLY G S h < TS+ 0 0 74.0 7.2 177.5 113.4 70.7 56.2 220 -2.2 0 0.0 0 0.0 0 0.0 6 24
225 A 234 GLU E S S S- 0 0 -108.9 142.4 176.6 -101.0 78.3 151.6 0 0.0 0 0.0 0 0.0 0 0.0 7 40
226 A 235 VAL V - 0 0 -61.4 133.5 -179.3 -165.6 45.5 113.4 0 0.0 0 0.0 0 0.0 0 0.0 8 44
227 A 236 LYS K + 0 0 -120.7 157.0 173.8 177.6 12.5 155.1 0 0.0 0 0.0 0 0.0 0 0.0 13 56
228 A 237 GLY G E E Cf - 191 0 -150.7 163.1 172.6 -157.4 16.5 162.9 190 -1.9 192 -1.2 0 0.0 0 0.0 11 70
229 A 238 HIS H E E Cf - 192 0 -140.5 124.6 -176.7 -121.5 30.6 159.3 0 0.0 231 -1.2 0 0.0 0 0.0 13 76
230 A 239 TYR Y e - 0 0 -73.7 101.7 176.6 -157.8 28.9 122.0 192 -2.4 0 0.0 0 0.0 0 0.0 11 79
231 A 240 LEU L E E Bg - 255 0 -79.8 127.6 -170.8 -118.1 22.0 131.4 254 -1.5 256 -2.4 229 -1.2 0 0.0 10 70
232 A 241 ASN N E E Bg + 256 0 -78.5 120.2 174.2 176.1 33.6 124.7 0 0.0 0 0.0 0 0.0 0 0.0 12 74
233 A 242 ALA A e + 0 0 -94.2 -4.6 178.2 127.6 40.3 63.0 256 -2.8 0 0.0 0 0.0 0 0.0 13 67
234 A 243 THR T + 0 0 -54.0 130.2 -174.3 157.8 36.7 105.7 0 0.0 0 0.0 0 0.0 0 0.0 10 58
235 A 244 ALA A - 0 0 -151.6 176.0 -177.1 -103.0 56.1 155.4 0 0.0 0 0.0 0 0.0 0 0.0 9 44
236 A 245 GLY G S S S+ 0 0 -77.0 -28.4 -176.1 25.1 104.4 40.0 0 0.0 0 0.0 0 0.0 0 0.0 7 33
237 A 246 THR T S h > TS- 0 0 -135.9 155.7 -178.8 -117.7 78.6 156.1 0 0.0 241 -2.3 0 0.0 0 0.0 6 29
238 A 247 A CYS C H H > TS+ 0 0 -65.7 -32.7 176.7 58.3 114.8 32.5 0 0.0 242 -2.6 0 0.0 0 0.0 8 32
239 A 248 GLU E H H > TS+ 0 0 -61.4 -43.4 176.6 44.3 108.8 25.8 0 0.0 243 -2.0 0 0.0 0 0.0 6 25
240 A 249 GLU E H H > TS+ 0 0 -67.4 -41.4 176.1 53.6 112.0 23.7 0 0.0 244 -1.9 0 0.0 0 0.0 10 33
241 A 250 MET M H H X TS+ 0 0 -55.7 -47.9 179.2 45.5 111.4 18.5 237 -2.3 245 -2.1 0 0.0 0 0.0 13 49
242 A 251 MET M H H X TS+ 0 0 -67.1 -38.9 175.9 57.2 107.3 27.2 238 -2.6 246 -2.8 0 0.0 0 0.0 10 45
243 A 252 LYS K H H < TS+ 0 0 -57.7 -40.2 179.2 47.9 109.0 27.6 239 -2.0 0 0.0 0 0.0 0 0.0 7 38
244 A 253 ARG R H H < TS+ 0 0 -69.0 -42.3 175.1 48.9 111.3 22.5 240 -1.9 0 0.0 0 0.0 0 0.0 11 55
245 A 254 ALA A H H < T 0 0 -61.9 -42.0 178.6 999.9 999.9 24.0 241 -2.1 248 -2.4 0 0.0 0 0.0 10 58
246!A 255 VAL V h < T 0 0 -61.8 999.9 999.9 999.9 999.9 26.4 242 -2.8 249 -2.6 0 0.0 0 0.0 7 43
247!A 257 ALA A t > >T 0 0 999.9 -46.2 174.1 999.9 999.9 999.9 0 0.0 252 -1.3 0 0.0 251 -0.7 13 51
248 A 258 LYS K T T 4 >5T + 0 0 -52.1 -49.3 -175.1 50.1 999.9 20.4 245 -2.4 251 -1.2 0 0.0 0 0.0 9 38
249 A 259 A GLU E T T 4 35TS+ 0 0 -72.0 -19.3 172.8 53.1 107.5 42.1 246 -2.6 0 0.0 0 0.0 0 0.0 6 28
250 A 260 LEU L T T 4 35TS- 0 0 -88.2 -7.8 175.7 -127.6 107.1 60.3 0 0.0 0 0.0 0 0.0 0 0.0 7 35
251 A 261 GLY G T T < <5T + 0 0 76.4 12.9 -175.2 151.5 55.1 52.1 248 -1.2 0 0.0 247 -0.7 0 0.0 6 35
252 A 262 VAL V t B h >T - 0 284 -89.4 92.6 -165.6 -169.4 28.8 141.7 0 0.0 262 -2.8 0 0.0 263 -0.5 14 61
259 A 269 TYR Y H H > 5TS+ 0 0 -65.9 -34.1 -176.7 42.2 76.3 43.7 257 -1.1 263 -1.2 284 -1.0 0 0.0 14 63
260 A 270 LEU L H H 4 5TS+ 0 0 -83.2 -37.5 178.8 40.0 120.0 31.7 0 0.0 0 0.0 0 0.0 0 0.0 10 54
261 A 271 THR T H H 4 5TS+ 0 0 -79.1 -30.9 171.4 39.5 124.8 32.4 0 0.0 0 0.0 0 0.0 0 0.0 7 38
262 A 272 GLY G H H < 5TS- 0 0 -76.4 -43.2 172.9 -130.0 117.8 26.6 258 -2.8 0 0.0 0 0.0 0 0.0 12 46
263 A 273 GLY G h X TS+ 0 0 -64.7 -34.7 -178.9 56.9 120.5 35.6 0 0.0 268 -2.5 0 0.0 0 0.0 11 56
265 A 275 THR T H H > TS+ 0 0 -64.6 -47.1 176.7 38.7 114.5 14.2 0 0.0 269 -1.8 0 0.0 0 0.0 9 44
266 A 276 ALA A H H > TS+ 0 0 -67.9 -41.5 178.0 54.5 115.1 21.6 0 0.0 270 -2.4 0 0.0 0 0.0 10 47
267 A 277 ASN N H H X TS+ 0 0 -57.4 -45.4 -175.5 48.9 107.6 24.1 263 -2.8 271 -2.8 0 0.0 0 0.0 14 63
268 A 278 THR T H H X TS+ 0 0 -65.0 -41.1 172.5 49.7 111.8 22.8 264 -2.5 272 -2.2 0 0.0 0 0.0 10 60
269 A 279 SER S H H X TS+ 0 0 -58.5 -45.7 -179.1 48.3 111.9 26.8 265 -1.8 273 -2.2 0 0.0 0 0.0 8 52
270 A 280 LEU L H H X TS+ 0 0 -66.9 -39.9 177.5 52.9 108.9 24.0 266 -2.4 274 -2.8 0 0.0 0 0.0 11 65
271 A 281 ALA A H H X TS+ 0 0 -60.4 -42.7 177.1 49.2 109.5 24.4 267 -2.8 275 -2.4 0 0.0 0 0.0 14 63
272 A 282 ILE I H H X TS+ 0 0 -63.6 -42.1 175.2 50.5 110.6 22.3 268 -2.2 276 -2.4 0 0.0 0 0.0 11 48
273 A 283 TYR Y H H X TS+ 0 0 -58.7 -42.8 -178.3 50.6 110.1 21.9 269 -2.2 277 -1.2 0 0.0 0 0.0 8 46
274 A 284 CYS C H H X >TS+ 0 0 -67.0 -39.0 171.9 49.2 110.1 26.4 270 -2.8 279 -1.2 0 0.0 278 -1.0 12 51
275 A 285 ARG R H H < 5TS+ 0 0 -59.0 -46.3 -175.8 48.4 112.8 23.2 271 -2.4 0 0.0 0 0.0 0 0.0 10 44
276 A 286 ASP D H H < 5TS+ 0 0 -70.2 -20.9 -173.6 33.4 121.7 46.9 272 -2.4 0 0.0 0 0.0 0 0.0 6 30
277 A 287 ASN N H H < 5TS- 0 0 -122.6 6.4 174.1 -113.3 107.3 72.2 273 -1.2 0 0.0 0 0.0 0 0.0 7 32
278 A 288 GLY G T h < 5T + 0 0 72.3 22.9 175.8 146.7 62.7 46.4 274 -1.0 0 0.0 0 0.0 0 0.0 7 39
279 A 289 LEU L t T + 0 0 -99.6 27.7 175.0 167.5 31.1 87.5 0 0.0 288 -2.6 0 0.0 0 0.0 10 62
286 A 296 ALA A T T 3 T + 0 0 -42.6 133.0 -178.8 20.8 68.1 95.9 0 0.0 0 0.0 0 0.0 0 0.0 10 48
287 A 297 MET M T h > > TS+ 0 0 86.3 -7.1 -174.8 118.1 86.5 81.2 0 0.0 290 -1.5 0 0.0 291 -0.8 8 36
288 A 298 HIS H H H > X TS+ 0 0 -58.7 -37.2 -175.5 57.0 70.1 29.6 285 -2.6 292 -2.3 0 0.0 291 -1.1 10 44
289 A 299 ALA A H H > 3 TS+ 0 0 -75.6 -14.0 165.7 66.8 93.9 46.3 0 0.0 293 -1.1 0 0.0 0 0.0 7 40
290 A 300 VAL V H H 4 < TS+ 0 0 -58.0 -38.6 -173.9 26.6 118.0 28.4 287 -1.5 0 0.0 0 0.0 0 0.0 6 26
291 A 301 ILE I H H < < TS+ 0 0 -92.1 -37.0 -159.6 36.7 129.7 38.0 288 -1.1 299 -1.7 287 -0.8 0 0.0 10 39
292 A 302 ASP D H H < TS+ 0 0 -115.0 2.8 -171.7 86.0 87.6 66.0 288 -2.3 0 0.0 0 0.0 0 0.0 13 49
293 A 303 ARG R S h < TS+ 0 0 -76.1 -45.0 -168.2 69.7 75.2 28.0 289 -1.1 0 0.0 0 0.0 0 0.0 10 40
294 A 304 GLN Q - 0 0 -89.7 142.0 -174.9 -144.6 67.5 126.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38
295 A 305 ARG R S S S+ 0 0 -70.6 -28.0 -172.3 48.1 95.7 39.3 0 0.0 0 0.0 0 0.0 0 0.0 11 46
296 A 306 ASN N S S S+ 0 0 -91.4 -17.8 -170.6 26.3 115.6 50.3 0 0.0 0 0.0 0 0.0 0 0.0 10 45
297 A 307 HIS H S S S+ 0 0 -153.3 138.3 171.7 29.9 92.0 169.4 0 0.0 0 0.0 0 0.0 0 0.0 11 46
298 A 308 GLY G E E Ad S- 127 0 124.3 -146.2 176.6 -50.0 88.0 160.4 126 -2.3 128 -2.6 0 0.0 0 0.0 12 47
299 A 309 ILE I E E Ad - 128 0 -131.3 128.9 179.9 -119.4 51.3 174.9 291 -1.7 0 0.0 0 0.0 0 0.0 11 56
300 A 310 HIS H h > > T - 0 0 -65.8 149.2 179.7 -117.7 25.8 110.3 128 -2.8 303 -1.5 0 0.0 304 -1.4 13 65
301 A 311 PHE F H H > 3 TS+ 0 0 -58.2 -34.8 177.1 68.7 110.5 32.6 0 0.0 305 -2.8 0 0.0 0 0.0 9 69
302 A 312 ARG R H H > 3 TS+ 0 0 -52.5 -37.2 177.2 46.7 102.1 33.1 0 0.0 306 -2.1 0 0.0 0 0.0 11 68
303 A 313 VAL V H H > < TS+ 0 0 -70.4 -41.3 173.9 50.7 111.0 25.6 300 -1.5 307 -2.7 0 0.0 0 0.0 12 70
304 A 314 LEU L H H X TS+ 0 0 -61.2 -35.7 173.5 49.9 111.5 33.4 300 -1.4 308 -1.8 0 0.0 0 0.0 10 68
305 A 315 ALA A H H X TS+ 0 0 -68.8 -43.0 174.8 48.2 110.2 25.1 301 -2.8 309 -2.5 0 0.0 0 0.0 12 75
306 A 316 LYS K H H X TS+ 0 0 -59.4 -45.7 179.2 52.3 111.1 23.1 302 -2.1 310 -2.3 0 0.0 0 0.0 10 81
307 A 317 ALA A H H X TS+ 0 0 -58.7 -42.7 175.7 48.0 109.9 25.4 303 -2.7 311 -2.7 0 0.0 0 0.0 9 78
308 A 318 LEU L H H X TS+ 0 0 -64.8 -42.1 176.4 55.4 107.4 22.7 304 -1.8 312 -3.4 0 0.0 0 0.0 11 75
309 A 319 ARG R H H < TS+ 0 0 -53.1 -45.4 178.7 43.2 113.4 21.1 305 -2.5 0 0.0 0 0.0 0 0.0 12 79
310 A 320 MET M H H < TS+ 0 0 -66.6 -48.6 -179.7 44.7 116.2 21.4 306 -2.3 143 -0.8 0 0.0 0 0.0 12 70
311 A 321 SER S H H < TS- 0 0 -64.3 -45.2 169.5 -102.1 123.3 25.8 307 -2.7 0 0.0 0 0.0 0 0.0 16 62
312 A 322 GLY G h < T + 0 0 128.3 127.4 172.9 153.4 54.3 80.1 308 -3.4 0 0.0 0 0.0 0 0.0 13 68
313 A 323 GLY G - 0 0 -169.1 143.2 179.5 -149.5 31.8 150.1 0 0.0 0 0.0 0 0.0 0 0.0 16 71
314 A 324 ASP D S e S+ 0 0 -85.3 -31.7 174.5 24.8 92.0 35.4 281 -2.6 364 -2.7 0 0.0 0 0.0 16 72
315 A 325 HIS H E E Bij - 282 364 -124.6 154.2 168.6 -178.1 64.6 161.2 281 -1.6 283 -1.8 0 0.0 0 0.0 12 82
316 A 326 LEU L E E Bij - 283 365 -148.5 133.6 176.7 -109.7 34.6 163.6 364 -2.3 366 -1.9 0 0.0 0 0.0 15 72
317 A 327 HIS H E E B j + 0 366 -62.3 139.2 -172.9 179.3 32.3 112.2 283 -1.3 0 0.0 0 0.0 0 0.0 11 74
318 A 328 SER S e - 0 0 -119.1 -4.1 -166.0 -110.6 40.9 68.4 366 -2.2 0 0.0 0 0.0 0 0.0 10 71
319 A 329 GLY G - 0 0 79.9 174.2 -175.3 -112.6 18.1 101.9 366 -0.8 0 0.0 0 0.0 0 0.0 13 63
320 A 330 THR T - 0 0 -115.6 -23.3 -168.2 -144.8 23.3 63.1 0 0.0 322 -2.2 0 0.0 0 0.0 13 61
321 A 331 VAL V S S S+ 0 0 76.1 -49.9 -171.8 47.4 96.7 106.4 0 0.0 0 0.0 0 0.0 0 0.0 10 54
322 A 332 VAL V S S S+ 0 0 -99.8 -8.1 -176.2 81.6 99.0 58.3 320 -2.2 456 -0.5 0 0.0 0 0.0 11 48
323 A 333 GLY G S S S- 0 0 -89.3 -155.1 -169.6 -71.9 98.4 79.4 0 0.0 0 0.0 0 0.0 0 0.0 13 46
324 A 334 LYS K S S S+ 0 0 -81.2 -18.2 178.7 66.1 108.5 49.7 369 -1.6 0 0.0 0 0.0 0 0.0 8 37
325 A 335 LEU L S S S- 0 0 -107.4 152.9 -170.8 -97.4 92.1 144.0 369 -0.5 0 0.0 0 0.0 0 0.0 9 45
326 A 336 GLU E + 0 0 -73.5 146.2 172.7 139.4 53.1 107.0 0 0.0 0 0.0 0 0.0 0 0.0 11 46
327 A 337 GLY G - 0 0 -179.9 99.3 -177.5 -139.3 39.2 112.6 0 0.0 0 0.0 0 0.0 0 0.0 12 52
328 A 338 GLU E h > T - 0 0 -68.5 148.2 -171.3 -119.4 24.3 111.2 0 0.0 332 -2.6 0 0.0 0 0.0 10 44
329 A 339 ARG R H H > TS+ 0 0 -56.5 -53.4 -173.3 41.1 107.5 25.3 0 0.0 333 -2.9 0 0.0 0 0.0 7 45
330 A 340 GLU E H H > TS+ 0 0 -68.5 -43.9 170.6 50.6 115.6 21.2 0 0.0 334 -2.1 0 0.0 0 0.0 9 38
331 A 341 VAL V H H > TS+ 0 0 -49.1 -51.1 -177.3 46.0 114.3 23.8 0 0.0 335 -1.9 0 0.0 0 0.0 12 49
332 A 342 THR T H H X TS+ 0 0 -66.4 -44.5 178.0 53.2 108.5 22.8 328 -2.6 336 -2.6 0 0.0 0 0.0 13 60
333 A 343 LEU L H H X TS+ 0 0 -58.3 -40.3 177.6 52.8 109.1 25.5 329 -2.9 337 -1.9 0 0.0 0 0.0 11 53
334 A 344 GLY G H H X TS+ 0 0 -59.9 -51.2 -175.6 40.5 112.6 20.1 330 -2.1 338 -1.9 0 0.0 0 0.0 12 51
335 A 345 PHE F H H X TS+ 0 0 -79.2 -20.5 169.8 60.7 109.0 35.4 331 -1.9 339 -1.7 0 0.0 0 0.0 12 69
336 A 346 VAL V H H X TS+ 0 0 -62.9 -44.7 175.3 46.6 107.2 18.3 332 -2.6 340 -2.1 0 0.0 0 0.0 11 65
337 A 347 ASP D H H X TS+ 0 0 -60.7 -40.9 177.7 53.2 110.2 22.2 333 -1.9 341 -2.7 0 0.0 0 0.0 9 59
338 A 348 LEU L H H < TS+ 0 0 -64.3 -27.0 176.9 45.6 112.7 37.8 334 -1.9 0 0.0 0 0.0 0 0.0 13 65
339 A 349 MET M H H < TS+ 0 0 -79.8 -37.3 -169.8 25.6 125.8 35.3 335 -1.7 363 -2.8 0 0.0 0 0.0 13 68
340 A 350 ARG R H H < TS+ 0 0 -99.8 -36.3 -161.7 77.3 103.0 38.1 336 -2.1 0 0.0 0 0.0 0 0.0 12 56
341 A 351 ASP D h < T - 0 0 -91.9 167.5 179.7 -136.7 63.8 106.6 337 -2.7 0 0.0 0 0.0 0 0.0 9 45
342 A 352 ASP D S e S+ 0 0 -86.2 -28.9 -170.2 20.9 92.3 38.0 0 0.0 358 -3.1 0 0.0 0 0.0 10 36
343 A 353 TYR Y E E DK - 357 0 -150.3 117.4 -173.7 -176.2 63.8 170.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32
344 A 354 VAL V E E DK - 356 0 -123.6 114.3 -179.3 -139.8 19.1 168.1 356 -2.6 356 -2.9 0 0.0 0 0.0 10 41
345 A 355 GLU E - 0 0 -73.1 149.0 169.9 -86.1 35.6 113.9 0 0.0 0 0.0 0 0.0 0 0.0 8 30
346 A 356 LYS K + 0 0 -44.4 134.8 179.2 166.9 53.4 101.9 0 0.0 0 0.0 0 0.0 0 0.0 9 35
347 A 357 ASP D B B C >>T - 352 0 -161.3 92.2 -174.8 -173.4 20.0 128.7 352 -2.2 352 -2.5 0 0.0 350 -1.9 10 30
348 A 358 ARG R G G >5TS+ 0 0 -66.2 -23.9 173.4 69.2 83.6 37.9 0 0.0 351 -1.6 0 0.0 0 0.0 7 37
349 A 359 SER S G G 35TS+ 0 0 -66.9 -15.0 170.4 36.8 109.4 51.6 0 0.0 0 0.0 0 0.0 0 0.0 7 28
350 A 360 A ARG R G G <5TS- 0 0 -116.5 16.3 178.0 -102.3 123.6 85.9 347 -1.9 0 0.0 0 0.0 0 0.0 11 36
351 A 361 GLY G T g <5TS+ 0 0 76.3 16.4 -179.8 141.1 75.4 49.8 348 -1.6 353 -0.9 0 0.0 0 0.0 11 50
352 A 362 ILE I B B C T - 0 0 -146.6 -178.2 -170.3 -71.3 51.0 151.3 0 0.0 375 -2.2 0 0.0 0 0.0 10 68
373 A 384 VAL V G G > TS+ 0 0 -56.4 -34.6 -179.5 59.6 122.9 37.5 0 0.0 376 -1.5 0 0.0 0 0.0 14 75
374 A 385 TRP W G G 3 TS+ 0 0 -68.7 -20.3 175.0 56.6 101.4 41.6 0 0.0 0 0.0 0 0.0 0 0.0 10 65
375 A 386 HIS H G h > < TS+ 0 0 -79.7 -9.6 -172.3 95.5 81.1 54.6 372 -2.2 379 -2.5 0 0.0 0 0.0 9 69
376 A 387 MET M H H > < TS+ 0 0 -55.6 -47.4 178.7 48.6 81.0 28.9 373 -1.5 380 -2.7 0 0.0 0 0.0 11 74
377 A 388 PRO P H H > TS+ 0 0 -59.0 -44.9 179.0 47.9 113.3 21.6 0 0.0 381 -2.4 0 0.0 0 0.0 15 59
378 A 389 ALA A H H > TS+ 0 0 -62.3 -40.2 -179.2 49.8 112.4 25.7 0 0.0 382 -2.6 0 0.0 0 0.0 11 56
379 A 390 LEU L H H X TS+ 0 0 -66.2 -45.2 177.5 46.4 111.9 21.2 375 -2.5 383 -2.8 0 0.0 0 0.0 12 67
380 A 391 VAL V H H X TS+ 0 0 -62.8 -39.6 177.9 49.4 114.4 23.9 376 -2.7 384 -2.1 0 0.0 0 0.0 14 64
381 A 392 GLU E H H < TS+ 0 0 -64.5 -43.3 -177.9 42.4 115.6 24.5 377 -2.4 0 0.0 0 0.0 0 0.0 9 50
382 A 393 ILE I H H < TS+ 0 0 -69.0 -48.6 -167.7 21.2 130.4 19.0 378 -2.6 0 0.0 0 0.0 0 0.0 7 51
383 A 394 PHE F H H < TS- 0 0 -98.9 -24.4 -169.2 -153.5 86.7 44.7 379 -2.8 0 0.0 0 0.0 0 0.0 10 59
384 A 395 GLY G h < T - 0 0 68.8 -161.6 -172.4 -44.5 56.2 111.2 380 -2.1 0 0.0 0 0.0 0 0.0 10 53
385 A 396 ASP D S S S+ 0 0 -77.2 -28.4 -174.4 81.2 119.8 41.1 0 0.0 387 -2.0 0 0.0 0 0.0 9 51
386 A 397 ASP D S S S+ 0 0 -85.6 74.0 178.5 79.5 80.2 117.2 0 0.0 0 0.0 0 0.0 0 0.0 11 52
387 A 398 ALA A S e S- 0 0 -161.3 157.1 167.8 -125.7 71.9 166.1 385 -2.0 161 -2.6 0 0.0 0 0.0 12 64
388 A 399 CYS C E E Bel - 161 366 -111.2 125.4 -177.9 -156.7 22.5 169.5 365 -2.4 367 -2.5 0 0.0 390 -0.5 12 77
389 A 400 LEU L E E Bel - 162 367 -104.7 123.3 -171.2 -156.5 11.4 159.3 161 -3.1 163 -2.4 0 0.0 0 0.0 12 73
390 A 401 GLN Q E E Bel - 163 368 -116.3 130.7 -175.2 -176.7 16.0 152.3 367 -3.1 369 -0.7 388 -0.5 0 0.0 13 76
391 A 402 PHE F e + 0 0 -125.3 93.0 179.6 152.5 18.7 154.7 163 -2.5 0 0.0 0 0.0 0 0.0 16 72
392 A 403 GLY G S h > > TS+ 0 0 -83.8 -74.9 169.4 22.3 88.2 28.1 0 0.0 396 -2.8 0 0.0 395 -2.3 13 65
393 A 404 GLY G H H > 3 TS+ 0 0 -55.7 -35.8 178.0 64.5 121.5 28.8 0 0.0 397 -1.6 0 0.0 0 0.0 10 53
394 A 405 GLY G H H 4 3 TS+ 0 0 -70.2 -6.2 169.9 27.9 115.6 61.5 0 0.0 0 0.0 0 0.0 0 0.0 12 68
395 A 406 THR T H H 4 X TS+ 0 0 -111.4 -53.9 -177.9 43.0 124.9 51.1 392 -2.3 398 -1.6 0 0.0 0 0.0 14 64
396 A 407 LEU L H H < 3 TS+ 0 0 -77.1 -3.1 172.4 58.0 112.1 59.4 392 -2.8 0 0.0 0 0.0 0 0.0 12 59
397 A 408 GLY G T h < 3 TS+ 0 0 -102.1 1.0 176.6 118.9 76.0 69.7 393 -1.6 0 0.0 0 0.0 0 0.0 10 45
398 A 409 HIS H S t X TS- 0 0 -65.9 141.5 -176.2 -126.6 72.0 118.0 395 -1.6 401 -1.6 0 0.0 0 0.0 14 51
399 A 410 PRO P T T 3 TS+ 0 0 -64.4 -20.6 -175.8 47.5 106.0 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 32
400 A 411 TRP W T T 3 TS- 0 0 -104.8 2.0 176.4 -103.0 116.3 69.4 0 0.0 0 0.0 0 0.0 0 0.0 9 32
401 A 412 GLY G h > < T - 0 0 104.0 -175.2 -163.5 -47.9 49.6 117.3 398 -1.6 405 -2.1 0 0.0 0 0.0 10 41
402 A 413 ASN N H H > TS+ 0 0 -73.8 -40.5 -178.8 51.4 124.8 30.9 0 0.0 406 -2.8 0 0.0 0 0.0 14 52
403 A 414 ALA A H H > TS+ 0 0 -64.9 -47.3 175.1 41.8 115.8 17.2 0 0.0 407 -2.7 0 0.0 0 0.0 13 54
404 A 415 PRO P H H > TS+ 0 0 -63.1 -36.6 177.3 53.5 114.5 25.9 0 0.0 408 -2.5 0 0.0 0 0.0 12 48
405 A 416 GLY G H H X TS+ 0 0 -63.1 -42.6 176.1 46.6 110.3 23.7 401 -2.1 409 -1.9 0 0.0 0 0.0 20 60
406 A 417 ALA A H H X TS+ 0 0 -62.7 -46.0 179.5 51.2 111.5 21.8 402 -2.8 410 -2.7 0 0.0 0 0.0 15 62
407 A 418 ALA A H H X TS+ 0 0 -60.1 -41.4 178.3 54.5 106.9 26.2 403 -2.7 411 -3.0 0 0.0 0 0.0 13 60
408 A 419 ALA A H H X TS+ 0 0 -57.7 -47.4 178.7 43.8 111.7 19.3 404 -2.5 412 -2.5 0 0.0 0 0.0 14 65
409 A 420 ASN N H H X TS+ 0 0 -66.3 -39.6 180.0 49.9 114.1 25.2 405 -1.9 413 -2.7 0 0.0 0 0.0 16 76
410 A 421 ARG R H H X TS+ 0 0 -66.9 -42.1 174.4 47.2 112.5 23.2 406 -2.7 414 -2.7 0 0.0 0 0.0 11 69
411 A 422 VAL V H H X TS+ 0 0 -61.4 -47.4 178.9 50.4 111.9 21.2 407 -3.0 415 -3.0 0 0.0 0 0.0 11 58
412 A 423 ALA A H H X TS+ 0 0 -57.5 -48.2 178.5 45.9 113.2 19.2 408 -2.5 416 -2.3 0 0.0 0 0.0 13 67
413 A 424 LEU L H H X TS+ 0 0 -61.3 -46.2 -178.6 46.3 114.8 21.2 409 -2.7 417 -2.4 0 0.0 0 0.0 13 70
414 A 425 GLU E H H X TS+ 0 0 -65.8 -38.1 177.7 52.1 111.5 27.1 410 -2.7 418 -2.8 0 0.0 0 0.0 9 54
415 A 426 ALA A H H X TS+ 0 0 -62.6 -43.7 177.8 45.5 112.3 23.7 411 -3.0 419 -2.5 0 0.0 0 0.0 11 53
416 A 427 CYS C H H X TS+ 0 0 -65.5 -40.1 179.0 49.9 113.6 25.9 412 -2.3 420 -2.5 0 0.0 0 0.0 15 53
417 A 428 THR T H H X TS+ 0 0 -64.2 -47.0 176.9 46.8 112.3 19.8 413 -2.4 421 -2.6 0 0.0 0 0.0 10 50
418 A 429 GLN Q H H X TS+ 0 0 -59.6 -46.6 -179.9 50.8 112.2 22.5 414 -2.8 422 -1.8 0 0.0 0 0.0 8 33
419 A 430 ALA A H H < >TS+ 0 0 -59.5 -47.6 176.9 48.0 111.0 22.3 415 -2.5 424 -2.4 0 0.0 0 0.0 12 37
420 A 431 ARG R H H < >5TS+ 0 0 -57.1 -49.5 178.4 51.3 110.4 18.3 416 -2.5 423 -2.0 0 0.0 0 0.0 10 36
421 A 432 ASN N H H < 35TS+ 0 0 -58.5 -31.5 176.3 56.8 105.9 36.9 417 -2.6 0 0.0 0 0.0 0 0.0 7 26
422 A 433 GLU E T h < 35TS- 0 0 -78.0 -8.0 173.5 -96.9 128.5 62.2 418 -1.8 0 0.0 0 0.0 0 0.0 6 18
423 A 434 GLY G T T <5TS+ 0 0 110.7 1.1 -179.8 147.2 73.8 65.6 420 -2.0 0 0.0 0 0.0 0 0.0 6 21
424 A 435 ARG R t > T - 0 0 -89.4 105.4 -175.6 -166.0 19.2 144.8 0 0.0 429 -2.9 0 0.0 428 -1.0 9 27
426 A 437 LEU L H H > 3 TS+ 0 0 -67.1 -26.9 176.3 61.2 85.2 38.0 424 -0.9 430 -1.0 0 0.0 0 0.0 14 38
427 A 438 ALA A H H 4 3 TS+ 0 0 -68.0 -26.9 -179.7 22.5 122.0 37.7 0 0.0 0 0.0 0 0.0 0 0.0 8 30
428 A 439 ARG R H H 4 < TS+ 0 0 -108.8 -26.8 -171.7 36.3 133.1 51.0 425 -1.0 0 0.0 0 0.0 0 0.0 6 24
429 A 440 GLU E H H X TS+ 0 0 -113.5 8.1 -173.1 108.3 80.8 74.2 425 -2.9 433 -2.3 0 0.0 0 0.0 9 31
430 A 441 GLY G H H X TS+ 0 0 -59.0 -46.1 176.4 50.3 79.0 27.6 426 -1.0 434 -2.4 0 0.0 0 0.0 12 42
431 A 442 GLY G H H > TS+ 0 0 -56.8 -43.7 178.7 50.2 111.1 27.0 0 0.0 435 -3.0 0 0.0 0 0.0 9 41
432 A 443 ASP D H H > TS+ 0 0 -62.5 -43.1 178.0 51.7 108.9 27.8 0 0.0 436 -2.5 0 0.0 0 0.0 7 35
433 A 444 VAL V H H X TS+ 0 0 -60.0 -47.6 179.1 43.2 113.9 19.5 429 -2.3 437 -2.1 0 0.0 0 0.0 13 45
434 A 445 ILE I H H X TS+ 0 0 -66.0 -43.3 179.1 53.0 112.4 20.1 430 -2.4 438 -3.0 0 0.0 0 0.0 14 53
435 A 446 ARG R H H X TS+ 0 0 -59.2 -42.4 176.9 48.3 110.1 25.3 431 -3.0 439 -1.7 0 0.0 0 0.0 8 41
436 A 447 SER S H H X TS+ 0 0 -62.3 -42.9 178.6 47.3 113.4 23.3 432 -2.5 440 -1.1 0 0.0 0 0.0 8 36
437 A 448 ALA A H H X TS+ 0 0 -67.3 -36.5 176.9 56.3 107.5 28.9 433 -2.1 441 -2.4 0 0.0 0 0.0 13 41
438 A 449 CYS C H H < TS+ 0 0 -61.6 -37.6 178.7 52.1 105.6 28.2 434 -3.0 0 0.0 0 0.0 0 0.0 12 41
439 A 450 LYS K H H < TS+ 0 0 -67.6 -29.5 -178.7 43.1 114.7 34.6 435 -1.7 0 0.0 0 0.0 0 0.0 8 25
440 A 451 TRP W H H < TS+ 0 0 -81.0 -49.3 -171.9 53.8 109.3 28.7 436 -1.1 0 0.0 0 0.0 0 0.0 7 28
441 A 452 SER S h X T - 0 0 -101.7 119.0 179.1 -158.4 60.9 150.1 437 -2.4 445 -2.9 0 0.0 0 0.0 10 35
442 A 453 PRO P H H > TS+ 0 0 -59.3 -40.8 -179.4 51.2 96.6 28.7 0 0.0 446 -1.8 0 0.0 0 0.0 8 32
443 A 454 GLU E H H > TS+ 0 0 -65.3 -43.5 176.1 45.4 112.8 23.1 0 0.0 447 -1.4 0 0.0 0 0.0 11 47
444 A 455 LEU L H H > TS+ 0 0 -64.7 -42.5 179.0 57.8 108.0 20.4 0 0.0 448 -3.1 0 0.0 0 0.0 17 53
445 A 456 ALA A H H X TS+ 0 0 -55.6 -40.3 179.1 53.1 103.5 28.6 441 -2.9 449 -2.3 0 0.0 0 0.0 13 44
446 A 457 ALA A H H X TS+ 0 0 -63.2 -40.8 175.2 44.1 112.5 24.5 442 -1.8 450 -1.9 0 0.0 0 0.0 12 41
447 A 458 ALA A H H X TS+ 0 0 -67.8 -42.0 177.4 56.0 110.2 24.0 443 -1.4 451 -2.1 0 0.0 0 0.0 13 51
448 A 459 CYS C H H X TS+ 0 0 -54.2 -46.7 -177.5 45.4 110.4 24.1 444 -3.1 452 -0.7 0 0.0 0 0.0 11 51
449 A 460 GLU E H H < > TS+ 0 0 -66.5 -45.1 -173.8 50.0 111.6 23.8 445 -2.3 452 -0.5 0 0.0 0 0.0 7 37
450 A 461 VAL V H H < 3 TS+ 0 0 -65.4 -38.2 -171.7 28.8 123.2 27.2 446 -1.9 0 0.0 0 0.0 0 0.0 8 35
451 A 462 TRP W H H < > TS+ 0 0 -111.2 13.9 -178.3 117.3 82.2 71.0 447 -2.1 454 -1.8 0 0.0 0 0.0 10 41
452 A 463 LYS K T h < < TS+ 0 0 -50.6 -43.3 -175.9 34.6 84.6 35.6 448 -0.7 0 0.0 449 -0.5 0 0.0 7 35
453 A 464 GLU E T T 3 TS+ 0 0 -99.6 13.5 -173.3 116.3 89.3 63.7 0 0.0 455 -0.6 0 0.0 0 0.0 4 24
454 A 465 ILE I t < T + 0 0 -92.6 115.2 178.5 151.8 33.9 126.3 451 -1.8 0 0.0 0 0.0 0 0.0 5 27
455 A 466 LYS K - 0 0 -134.8 160.8 179.4 -143.8 37.3 156.4 453 -0.6 0 0.0 0 0.0 0 0.0 6 32
456 A 467 PHE F + 0 0 -129.6 93.1 -173.5 156.0 33.8 150.8 322 -0.5 0 0.0 0 0.0 0 0.0 7 30
457 A 468 GLU E + 0 0 -129.6 104.9 -177.1 145.4 11.9 166.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23
458 A 469 PHE F - 0 0 -134.5 160.4 172.0 -80.3 55.6 163.1 0 0.0 0 0.0 0 0.0 0 0.0 4 20
459 A 470 ASP D - 0 0 -59.3 134.3 -178.1 -120.6 53.2 114.7 0 0.0 0 0.0 0 0.0 0 0.0 4 21
460 A 471 THR T - 0 0 -86.4 131.5 175.7 -173.1 25.3 133.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28
461 A 472 ILE I S S S+ 0 0 -83.2 -52.2 -178.6 62.7 78.4 21.9 0 0.0 463 -2.2 0 0.0 0 0.0 8 31
462 A 473 ASP D S S S+ 0 0 -79.7 73.7 175.8 160.2 72.9 116.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42
463 A 474 LYS K 0 0 -93.4 148.8 -175.7 999.9 999.9 133.4 461 -2.2 0 0.0 0 0.0 0 0.0 7 41
464 A 475 LEU L 0 0 -57.5 999.9 999.9 999.9 999.9 101.1 0 0.0 0 0.0 0 0.0 0 0.0 7 47
1gk8A.pdb
1GK8 LYASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand S S THHHHB TT TT EEEEEEEEE TT HHHHHHHHHHHTTT SS GGGGGS HHHH EEEEEEE TT SS EEEEEEE TT Kabs/Sand
chirality ---+---+-+--+++++++++----++-----------++--++++++++++++-+--+---+++++--++++---++-----++-+++----- ++ chirality
bends S S SSSSS SS SS SS SSSSSSSSSSSSSS SS SSSSSS SSSS SS SS S bends
turns TTTTTTTTTTT TTTT TTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTT TTTT TTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33<>33< >33< >>>X<<<>33< >33< >33 3-turns
bridge-2 BBBBBBBB a CCCCCC bridge-2
bridge-1 a AAAAAAA CC*CCCC AAAAAAA bridge-1
sheets AAAAAAAAA AAAAAAA AAAAAAA sheets
4-turns >>44<< >>>>XXXXX<<<< >444<>>44<< 4-turns
summary S S thHHHHhtTTt tTTtEEEEEEEEEeTTthHHHHHHHHHHHhTTt SS gGGGGGghHHHHh EEEEEEEeTTtSSeEEEEEEEtTT summary
sequence TKAGAGFKAGVKDYRLTYYTPDYVVRDTDILAAFRMTPQPGVPPEECGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYDIEPVPGEDNQYIAYVAYIDL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand S TT HHHHHHHHHSSGGG TTEEEEEEEEEE HHHHTT HHHHHHHHT SS EEE SSSS HHHHHHHHHHHHHTT SEE TT SSB Kabs/Sand
chirality --++++++++++++-++++-++-----+------++++++- --+++++++-++++---+----+-+++--+++++++++++++-+-+ -+++-+- chirality
bends S SS SSSSSSSSSSSSSS SS S SSSSSS SSSSSSSS SS SSSS SSSSSSSSSSSSSSS S SS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTT TTTTTTTTTTTTTTTTT TTTT T turns
5-turns >5555< >5555< 5-turns
3-turns <>33< >>333X>3<< >>3<< >33< > 3-turns
bridge-2 dd bridge-2
bridge-1 B*BBBB*BBB eee ff B bridge-1
sheets AAAAAAAAAA BBB CC sheets
4-turns >>>>XXX<<<< >>44<< >>>>XX<<<< >>>>XXXXXXX<<<< 4-turns
summary ttTThHHHHHHHHHhgGGGgTeEEEEEEEEEE hHHHHhTt hHHHHHHHHht SS EEE SSSS hHHHHHHHHHHHHHhTteEE tTTtSSB summary
sequence FEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPPAYVKTFVGPHGIQVERDKLNKYGRGLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTDDENVNSQ sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand TTB HHHHHHHHHHHHHHHHHHHSS EE EE SSHHHHHHHH TTTT SEEEEEHHHH HHHHHHHHHHHHHHT EEEEE TTHHHHHS SSSEE Kabs/Sand
chirality ++--++++++++++++++++++-+--+----+++-+-+++++++ ++-+-+-----+++--+++++++++++++-+------+++++++++-+++--- chirality
bends SS SSSSSSSSSSSSSSSSSSSSS SSSSSSSSS SS S SSSS SSSSSSSSSSSSSS SSSSSSS SSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTTTTTT T turns
5-turns >5555< >5555< >5555< 5-turns
3-turns 33< >33< >3>X3<< > 3-turns
bridge-2 hhhhh ii bridge-2
bridge-1 B ff gg gg hhhhh dd bridge-1
sheets CC BB BBBBB BBBBB AA sheets
4-turns >>>>XXXXXXXXXXXXX<<<< >>>>XX<<<<>444< >>44>>XXXXXXXX<<<< >>>4<<< > 4-turns
summary TTBhHHHHHHHHHHHHHHHHHHHhS EEeEEe ShHHHHHHHHhtTTTTteEEEEEHHHHhHHHHHHHHHHHHHHhtEEEEEtThHHHHHh SSSEEh summary
sequence PFMRWRDRFLFVAEAIYKAQAETGEVKGHYLNATAGTCEEMMKRAVAKELGVPIIMHDYLTGGFTANTSLAIYCRDNGLLLHIHRAMHAVIDRQRNHGIH sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand HHHHHHHHHHH SEEE SSSSS HHHHHHHHHHHH SEE BGGGTB S EE EEEEESS GGGHHHHHHHH SSSEEE SHHHHTSTT Kabs/Sand
chirality ++++++++++-+-+--+---++-+-+--++++++++++++-+---+-++-+++--- -------++-++-++++++++++--++----+++++++-+- chirality
bends SSSSSSSSSSS S SSSSS SSSSSSSSSSSS S SSSS S SS SSSSSSSSSSS SSS SSSSSSSSS bends
turns TTTTTTTTTTTT TTTTTTTTTTTTTT TTTTTT TTTTTTTTTTTTT TTTTTTTTT turns
5-turns >5555< 5-turns
3-turns 33< >>3<< >>3<< >33X33X33 3-turns
bridge-2 jjj lll lll bridge-2
bridge-1 ii KK C C KK jjj eee bridge-1
sheets BBB DD DD BBBBB BBB sheets
4-turns >>>XXXXX<<<< >>>>XXXXXX<<<< >>>>XX<<<< >>44<< 4-turns
summary HHHHHHHHHHHh eEEEe SSSSS hHHHHHHHHHHHHheEE BGGGgB S EEe EEEEEeS gGGhHHHHHHHHhSSeEEEehHHHHhtTT summary
sequence FRVLAKALRMSGGDHLHSGTVVGKLEGEREVTLGFVDLMRDDYVEKDRSRGIYFTQDWSMPGVMPVASGGIHVWHMPALVEIFGDDACLQFGGGTLGHPW sequence
310 320 330 340 350 360 370 380 390 400
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHH HHHHHHHHHHTT SS Kabs/Sand
chirality -++++++++++++++++++++-+--+++++++++++++++-+++++++++++++-++---++ chirality
bends SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSS SSSSSSSSSSSS SS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< 5-turns
3-turns < >33< >33< >3><3< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXXXXXXXXXXX<<<< >>44XX>>XXXXX<<>>XXXX<<<< 4-turns
summary hHHHHHHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHhHHHHHHHHHHhTt SS summary
sequence GNAPGAAANRVALEACTQARNEGRDLAREGGDVIRSACKWSPELAAACEVWKEIKFEFDTIDKL sequence
410 420 430 440 450 460
Messages
chain break between 97(A 103 ) and 98(A 105 )
chain break between 143(A 150 ) and 144(A 152 )
chain break between 192(A 200 ) and 193(A 202 )
chain break between 246(A 255 ) and 247(A 257 )
chain break between 358(A 368 ) and 359(A 370 )