Secondary structure calculation program - copyright by David Keith Smith, 1989
1gtxA.pdb
1GTX TRANSFERASE MOL_ID: 1; MOL_ID: 1;
Sequence length - 462
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 11 PHE F 0 0 999.9 -166.6 -179.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26
2 A 12 ASP D - 0 0 -178.6 151.2 178.6 -103.4 999.9 146.6 0 0.0 0 0.0 0 0.0 0 0.0 7 35
3 A 13 TYR Y - 0 0 -86.1 174.8 -177.7 -122.8 19.2 110.5 43 -0.5 0 0.0 0 0.0 0 0.0 9 35
4 A 14 ASP D S S S- 0 0 -97.6 0.4 178.7 -35.1 78.2 65.6 0 0.0 0 0.0 0 0.0 0 0.0 4 31
5 A 15 GLY G S S S- 0 0 159.4 166.4 179.6 -56.6 76.1 149.5 0 0.0 0 0.0 0 0.0 0 0.0 7 40
6 A 16 PRO P - 0 0 -65.3 156.8 -179.7 -166.3 38.5 104.5 0 0.0 0 0.0 0 0.0 0 0.0 12 47
7 A 17 LEU L B B A - 54 0 -152.5 103.6 -177.2 -164.2 5.2 144.0 54 -2.0 54 -1.9 0 0.0 0 0.0 8 37
8 A 18 MET M + 0 0 -96.4 137.3 179.3 162.3 22.5 136.0 0 0.0 0 0.0 0 0.0 0 0.0 12 36
9 A 19 LYS K S S S+ 0 0 -119.4 -35.7 179.5 8.3 70.9 49.5 0 0.0 0 0.0 0 0.0 0 0.0 7 26
10 A 20 THR T S S S- 0 0 -136.4 -179.3 176.4 -87.1 84.7 138.8 0 0.0 0 0.0 0 0.0 0 0.0 10 32
11 A 21 GLU E - 0 0 -83.2 168.4 -179.7 -76.6 66.2 118.3 0 0.0 0 0.0 0 0.0 0 0.0 7 36
12 A 22 VAL V S S S+ 0 0 -123.0 129.0 0.4 34.3 120.5 166.9 0 0.0 0 0.0 0 0.0 0 0.0 8 47
13 A 23 PRO P S S S- 0 0 -71.3 149.1 -179.9 -159.2 96.0 64.9 0 0.0 0 0.0 0 0.0 0 0.0 10 42
14 A 24 GLY G h > T - 0 0 -89.9 -177.4 179.9 -82.8 33.9 103.3 0 0.0 18 -2.8 0 0.0 0 0.0 11 35
15 A 25 PRO P H H > TS+ 0 0 -51.1 -47.6 179.9 43.5 127.2 28.2 0 0.0 19 -1.1 0 0.0 0 0.0 7 25
16 A 26 ARG R H H > TS+ 0 0 -74.3 -32.5 178.5 49.4 113.0 33.5 0 0.0 20 -2.2 0 0.0 0 0.0 9 27
17 A 27 SER S H H > TS+ 0 0 -67.3 -49.5 179.7 51.1 111.3 13.6 0 0.0 21 -2.8 0 0.0 0 0.0 13 35
18 A 28 ARG R H H X TS+ 0 0 -54.1 -31.0 179.3 52.1 109.4 37.9 14 -2.8 22 -1.1 0 0.0 0 0.0 10 29
19 A 29 GLU E H H X TS+ 0 0 -69.1 -51.4 179.7 44.6 111.8 18.7 15 -1.1 23 -1.3 0 0.0 0 0.0 8 27
20 A 30 LEU L H H X TS+ 0 0 -62.4 -35.4 -179.8 56.5 109.1 35.4 16 -2.2 24 -2.8 0 0.0 0 0.0 9 29
21 A 31 MET M H H X TS+ 0 0 -67.6 -33.7 179.5 57.5 101.6 31.6 17 -2.8 25 -2.2 0 0.0 0 0.0 12 28
22 A 32 LYS K H H < TS+ 0 0 -60.0 -44.6 -179.1 42.0 112.0 22.8 18 -1.1 0 0.0 0 0.0 0 0.0 8 23
23 A 33 GLN Q H H X > TS+ 0 0 -69.3 -50.1 180.0 52.1 111.5 23.0 19 -1.3 26 -1.4 0 0.0 27 -0.8 8 20
24 A 34 LEU L H H X > TS+ 0 0 -55.8 -37.4 -179.5 61.9 103.7 27.6 20 -2.8 28 -1.5 0 0.0 27 -0.9 9 21
25 A 35 ASN N H H < 3 TS+ 0 0 -63.9 -21.1 178.6 61.7 92.6 46.7 21 -2.2 0 0.0 0 0.0 0 0.0 10 19
26 A 36 ILE I H H 4 < TS+ 0 0 -71.4 -33.9 -179.2 41.5 110.7 32.2 23 -1.4 0 0.0 0 0.0 0 0.0 7 15
27 A 37 ILE I H H < < TS- 0 0 -82.1 -32.5 -177.8 -7.5 130.7 42.1 24 -0.9 0 0.0 23 -0.8 0 0.0 6 14
28 A 38 GLN Q S h < TS- 0 0 -161.6 161.8 178.6 -77.1 85.2 169.6 24 -1.5 30 -0.7 0 0.0 0 0.0 6 13
29 A 39 ASN N + 0 0 -66.4 111.9 179.2 168.5 52.3 123.4 0 0.0 0 0.0 0 0.0 0 0.0 7 14
30 A 40 ALA A t > T + 0 0 -117.6 32.6 -179.3 120.5 32.3 92.6 28 -0.7 33 -1.1 0 0.0 0 0.0 8 20
31 A 41 GLU E T T 3 TS+ 0 0 -68.4 -15.5 -178.9 64.6 70.6 45.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20
32 A 42 ALA A T T 3 TS+ 0 0 -79.9 -22.4 -176.7 106.2 75.7 40.1 0 0.0 0 0.0 0 0.0 0 0.0 5 26
33 A 43 VAL V t < T - 0 0 -67.5 133.9 -179.7 -165.2 49.7 111.3 30 -1.1 0 0.0 0 0.0 0 0.0 7 33
34 A 44 HIS H - 0 0 -79.3 -49.7 179.5 -46.0 62.9 25.8 0 0.0 0 0.0 0 0.0 0 0.0 5 47
35 A 45 PHE F - 0 0 -176.9 163.3 -179.3 -86.0 61.1 160.9 0 0.0 0 0.0 0 0.0 0 0.0 11 48
36 A 46 PHE F - 0 0 -89.0 141.1 -176.9 -145.4 44.0 132.6 0 0.0 50 -2.3 0 0.0 0 0.0 10 40
37 A 47 CYS C B B B - 49 0 -109.9 159.2 178.4 -142.4 16.8 132.2 0 0.0 39 -0.7 0 0.0 0 0.0 8 42
38 A 48 ASN N t > > T + 0 0 -116.0 94.3 -177.4 175.3 22.3 151.3 48 -3.5 41 -0.8 0 0.0 42 -0.7 10 32
39 A 49 TYR Y T T 4 3 TS+ 0 0 -79.0 -8.6 -179.6 70.0 72.2 55.7 37 -0.7 0 0.0 0 0.0 0 0.0 10 33
40 A 50 GLU E T T 4 3 TS+ 0 0 -79.7 -19.9 -179.3 30.8 112.8 42.8 0 0.0 0 0.0 0 0.0 0 0.0 5 28
41 A 51 GLU E T T 4 < TS+ 0 0 -115.7 -7.4 177.0 105.1 91.8 62.4 38 -0.8 0 0.0 0 0.0 0 0.0 6 32
42 A 52 SER S t < T + 0 0 -72.2 138.0 -177.8 174.9 51.1 126.1 38 -0.7 0 0.0 0 0.0 0 0.0 12 47
43 A 53 ARG R B B C > T - 46 0 -153.0 141.6 178.9 -25.0 40.2 174.5 46 -1.5 46 -2.3 0 0.0 3 -0.5 14 45
44 A 54 GLY G B B D 3 TS- 69 0 62.4 -127.7 178.6 -13.4 128.1 112.8 69 -2.0 69 -2.0 0 0.0 0 0.0 13 49
45 A 55 ASN N T e 3 TS+ 0 0 -86.6 4.4 -177.9 96.6 118.4 69.4 0 0.0 57 -3.3 0 0.0 47 -0.5 15 60
46 A 56 TYR Y E E AAC< T - 56 43 -111.0 127.8 178.2 -161.8 54.2 148.7 43 -2.3 43 -1.5 0 0.0 0 0.0 15 57
47 A 57 LEU L E E AA - 55 0 -98.1 132.4 -178.0 -157.3 14.0 146.6 55 -2.4 55 -2.6 45 -0.5 0 0.0 14 64
48 A 58 VAL V E E AA - 54 0 -115.7 127.5 -179.0 -149.6 4.9 160.7 0 0.0 38 -3.5 0 0.0 0 0.0 13 51
49 A 59 ASP D B e B > T - 37 0 -94.0 170.2 -179.1 -98.8 33.7 113.2 53 -1.9 52 -2.3 0 0.0 0 0.0 12 48
50 A 60 VAL V T T 3 TS+ 0 0 -61.3 -8.3 179.9 61.2 121.0 54.3 36 -2.3 0 0.0 0 0.0 0 0.0 11 34
51 A 61 ASP D T T 3 TS- 0 0 -101.7 10.0 179.0 -104.1 120.7 72.4 0 0.0 0 0.0 0 0.0 0 0.0 10 36
52 A 62 GLY G S t < TS+ 0 0 85.7 0.7 -179.8 146.6 71.2 61.6 49 -2.3 0 0.0 0 0.0 0 0.0 9 38
53 A 63 ASN N e - 0 0 -73.9 140.4 -179.8 -157.1 33.3 120.3 0 0.0 49 -1.9 0 0.0 0 0.0 13 46
54 A 64 ARG R E E AAA - 48 7 -123.5 121.3 -177.5 -179.8 16.4 169.8 7 -1.9 7 -2.0 0 0.0 0 0.0 13 51
55 A 65 MET M E E AA - 47 0 -129.8 148.0 176.7 -111.9 36.3 160.3 47 -2.6 47 -2.4 0 0.0 0 0.0 15 62
56 A 66 LEU L E E AAb - 46 424 -67.4 124.7 -178.6 -138.5 40.7 126.2 423 -2.5 425 -3.4 0 0.0 58 -0.8 12 64
57 A 67 ASP D E E A b + 0 425 -98.9 107.3 179.8 158.3 39.6 144.1 45 -3.3 439 -0.5 0 0.0 0 0.0 13 72
58 A 68 LEU L S e S+ 0 0 -108.5 16.2 178.9 52.7 77.8 80.2 425 -2.3 437 -3.1 56 -0.8 0 0.0 13 71
59 A 69 TYR Y S h > TS- 0 0 -116.0 -31.3 179.5 -166.6 80.5 51.2 0 0.0 63 -2.6 0 0.0 0 0.0 13 61
60 A 70 SER S H H > >TS- 0 0 39.8 59.0 178.7 -48.5 71.2 33.0 0 0.0 64 -2.4 0 0.0 65 -1.4 11 56
61 A 71 GLN Q H H 4 5TS- 0 0 57.0 42.6 -178.9 -47.0 114.9 26.5 0 0.0 0 0.0 0 0.0 0 0.0 6 52
62 A 72 ILE I H H 4 5TS- 0 0 63.1 54.4 179.4 -49.9 111.7 15.7 0 0.0 0 0.0 0 0.0 0 0.0 6 58
63 A 73 SER S H H < 5TS+ 0 0 56.7 38.5 -178.9 113.2 115.1 31.8 59 -2.6 320 -1.0 0 0.0 0 0.0 13 61
64 A 74 SER S T h < 5T + 0 0 -115.5 -12.5 179.7 85.5 44.4 50.2 60 -2.4 0 0.0 0 0.0 0 0.0 11 50
65 A 75 ILE I t T - 0 0 89.7 173.9 -178.2 -41.1 61.0 96.4 0 0.0 71 -0.6 0 0.0 0 0.0 13 60
69 A 79 TYR Y B B D 3 TS- 44 0 -82.4 144.6 178.5 -4.6 112.8 119.9 44 -2.0 44 -2.0 0 0.0 0 0.0 12 47
70 A 80 SER S T T 3 TS- 0 0 41.9 49.9 179.2 -161.4 79.8 33.0 0 0.0 0 0.0 0 0.0 0 0.0 11 41
71 A 81 HIS H h > X T - 0 0 -63.0 131.5 -179.3 -135.0 17.3 113.1 68 -0.6 75 -2.2 0 0.0 74 -0.6 11 41
72 A 82 PRO P H H > 3 TS+ 0 0 -53.7 -39.1 179.8 57.5 103.5 33.2 0 0.0 76 -2.0 0 0.0 0 0.0 7 33
73 A 83 ALA A H H > 3 TS+ 0 0 -58.9 -42.9 -179.4 43.7 111.5 23.2 0 0.0 77 -1.5 0 0.0 0 0.0 7 33
74 A 84 LEU L H H > < TS+ 0 0 -72.3 -37.8 178.5 58.1 106.5 31.3 71 -0.6 78 -1.8 0 0.0 0 0.0 11 37
75 A 85 VAL V H H X TS+ 0 0 -59.1 -42.0 177.8 54.2 104.4 21.9 71 -2.2 79 -1.2 0 0.0 0 0.0 9 34
76 A 86 LYS K H H X > TS+ 0 0 -52.6 -55.8 -179.1 56.8 103.8 16.9 72 -2.0 79 -1.4 0 0.0 80 -1.1 8 25
77 A 87 LEU L H H < > TS+ 0 0 -45.2 -48.2 -178.6 47.3 106.0 29.9 73 -1.5 80 -0.8 0 0.0 0 0.0 9 31
78 A 88 VAL V H H < 3 TS+ 0 0 -70.0 -20.4 -179.3 55.3 110.6 40.2 74 -1.8 0 0.0 0 0.0 0 0.0 9 28
79 A 89 GLN Q H H < < TS+ 0 0 -87.9 -14.1 177.8 103.7 79.2 51.9 76 -1.4 0 0.0 75 -1.2 0 0.0 8 22
80 A 90 GLN Q S h < X TS- 0 0 -67.9 134.7 -179.9 -137.1 71.9 121.4 76 -1.1 83 -1.1 77 -0.8 0 0.0 8 20
81 A 91 PRO P T T 3 TS+ 0 0 -66.5 -22.9 180.0 59.2 98.2 42.2 0 0.0 0 0.0 0 0.0 0 0.0 6 17
82 A 92 GLN Q T T 3 TS+ 0 0 -82.7 -9.7 -179.6 58.5 98.5 52.1 0 0.0 0 0.0 0 0.0 0 0.0 5 21
83 A 93 ASN N S h > < TS+ 0 0 -91.5 -13.9 -179.6 89.0 80.0 52.1 80 -1.1 87 -1.1 0 0.0 0 0.0 10 32
84 A 94 VAL V H H > > TS+ 0 0 -48.3 -56.3 -179.4 52.7 84.5 20.5 0 0.0 87 -1.6 0 0.0 88 -1.2 10 25
85 A 95 SER S H H > 3 TS+ 0 0 -49.4 -39.7 178.8 63.2 100.5 32.2 0 0.0 89 -2.6 0 0.0 0 0.0 7 26
86 A 96 THR T H H 4 3 TS+ 0 0 -51.7 -38.1 -178.0 44.0 107.5 32.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34
87 A 97 PHE F H H < < TS+ 0 0 -81.8 -27.8 -178.2 33.5 122.1 43.7 84 -1.6 0 0.0 83 -1.1 0 0.0 8 31
88 A 98 ILE I H H < TS+ 0 0 -109.2 -12.0 177.9 60.6 109.4 56.1 84 -1.2 90 -0.6 0 0.0 0 0.0 6 21
89 A 99 ASN N h < T - 0 0 -115.4 86.0 -179.5 -171.6 68.4 141.5 85 -2.6 0 0.0 0 0.0 0 0.0 6 26
90 A 100 ARG R - 0 0 -84.8 120.4 -179.7 -149.7 12.4 133.6 88 -0.6 0 0.0 0 0.0 0 0.0 9 32
91 A 101 PRO P - 0 0 -85.3 156.9 174.4 -111.6 26.0 115.1 0 0.0 93 -1.8 0 0.0 0 0.0 9 32
92 A 102 ALA A t > > T - 0 0 -84.0 82.5 179.5 -158.4 39.9 137.2 0 0.0 95 -2.4 0 0.0 96 -1.7 10 29
93 A 103 LEU L T T 4 3 TS+ 0 0 -42.8 -11.9 -176.1 61.9 80.7 57.9 91 -1.8 0 0.0 344 -0.7 0 0.0 12 39
94 A 104 GLY G T T 4 3 TS+ 0 0 -94.7 -19.9 -179.4 17.7 120.2 43.9 343 -0.6 0 0.0 0 0.0 0 0.0 10 31
95 A 105 ILE I T T 4 < TS+ 0 0 -126.1 -4.9 -173.5 30.6 133.1 61.6 92 -2.4 0 0.0 0 0.0 0 0.0 5 26
96 A 106 LEU L S t < TS- 0 0 -158.8 62.2 -179.4 -176.7 70.5 113.0 92 -1.7 0 0.0 0 0.0 0 0.0 7 24
97 A 107 PRO P - 0 0 -64.8 154.2 179.8 -107.5 32.2 102.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32
98 A 108 PRO P t > T - 0 0 -78.9 156.5 -179.2 -103.1 36.3 119.9 0 0.0 101 -1.9 0 0.0 0 0.0 7 32
99 A 109 GLU E T T 3 TS+ 0 0 -43.8 -56.3 -177.7 43.6 117.9 28.2 0 0.0 0 0.0 0 0.0 0 0.0 5 25
100 A 110 ASN N T h > 3 TS+ 0 0 -79.3 10.8 -178.3 113.3 82.5 73.1 0 0.0 104 -2.4 0 0.0 0 0.0 6 28
101 A 111 PHE F H H > < TS+ 0 0 -50.6 -56.8 -177.5 37.8 78.1 22.8 98 -1.9 105 -2.0 0 0.0 0 0.0 9 41
102 A 112 VAL V H H > TS+ 0 0 -71.7 -25.4 -179.7 53.9 115.4 34.4 0 0.0 106 -2.1 0 0.0 0 0.0 7 33
103 A 113 GLU E H H > TS+ 0 0 -76.2 -29.5 177.4 49.6 108.8 30.6 0 0.0 107 -1.6 0 0.0 0 0.0 7 23
104 A 114 LYS K H H < TS+ 0 0 -70.3 -40.9 179.1 48.9 111.1 24.7 100 -2.4 0 0.0 0 0.0 0 0.0 11 40
105 A 115 LEU L H H < >>TS+ 0 0 -62.6 -40.9 -179.0 54.3 109.0 26.5 101 -2.0 110 -2.2 0 0.0 108 -1.4 11 45
106 A 116 ARG R H H < 35TS+ 0 0 -61.8 -36.2 -177.7 50.7 108.0 30.0 102 -2.1 0 0.0 0 0.0 0 0.0 9 32
107 A 117 GLU E T h < 35TS+ 0 0 -94.7 25.9 178.5 11.7 126.2 84.0 103 -1.6 0 0.0 0 0.0 0 0.0 9 31
108 A 118 SER S T g > X5TS+ 0 0 -153.7 -99.8 -179.9 26.1 128.3 95.8 105 -1.4 112 -0.7 0 0.0 111 -0.5 13 51
109 A 119 LEU L G G 4 >5TS+ 0 0 -44.2 -55.1 -177.7 45.0 126.3 27.2 0 0.0 112 -1.7 0 0.0 0 0.0 9 60
110 A 120 LEU L G G 4 > T - 0 0 -65.9 173.2 -179.2 -71.9 49.1 99.0 0 0.0 117 -1.1 0 0.0 0 0.0 8 50
115 A 125 LYS K T T 3 TS+ 0 0 -73.2 126.3 176.4 3.6 112.6 120.5 0 0.0 0 0.0 0 0.0 0 0.0 7 38
116 A 126 GLY G T T 3 TS+ 0 0 83.7 3.4 -179.7 110.3 98.4 60.0 0 0.0 118 -0.7 0 0.0 0 0.0 9 34
117 A 127 MET M t < T + 0 0 -116.3 93.1 -178.8 158.4 27.5 146.7 114 -1.1 0 0.0 0 0.0 0 0.0 13 42
118 A 128 SER S + 0 0 -89.2 -9.1 -178.4 86.3 51.1 58.6 116 -0.7 0 0.0 0 0.0 0 0.0 9 35
119 A 129 GLN Q E E BC - 328 0 -96.3 151.0 -179.4 -176.3 54.3 132.8 328 -2.5 328 -1.6 0 0.0 0 0.0 9 43
120 A 130 LEU L E E BC + 327 0 -150.5 134.1 175.0 177.7 14.1 169.9 0 0.0 0 0.0 0 0.0 0 0.0 10 55
121 A 131 ILE I E E BC - 326 0 -133.5 132.6 -178.7 -137.6 24.7 177.0 326 -1.9 326 -2.3 0 0.0 0 0.0 8 67
122 A 132 THR T E E BC + 325 0 -95.4 141.9 -179.9 179.1 22.1 135.3 0 0.0 0 0.0 0 0.0 0 0.0 11 63
123 A 133 MET M E E BC - 324 0 -135.4 160.3 -177.0 -124.5 32.8 152.8 324 -1.8 324 -2.9 0 0.0 0 0.0 14 57
124 A 134 ALA A S S S+ 0 0 -79.7 -32.2 -178.3 19.1 84.4 37.1 0 0.0 0 0.0 0 0.0 0 0.0 14 48
125 A 135 CYS C S h > TS- 0 0 -135.6 173.8 179.9 -105.7 76.3 144.5 0 0.0 129 -1.5 0 0.0 0 0.0 12 48
126 A 136 GLY G H H > TS+ 0 0 -68.6 -32.0 178.7 39.9 123.5 33.3 0 0.0 130 -1.8 0 0.0 0 0.0 16 58
127 A 137 SER S H H > TS+ 0 0 -78.7 -44.9 -180.0 57.2 108.6 22.3 0 0.0 131 -2.7 0 0.0 0 0.0 11 49
128 A 138 CYS C H H > TS+ 0 0 -52.4 -29.5 -176.5 48.6 114.6 23.0 0 0.0 132 -1.5 0 0.0 0 0.0 11 45
129 A 139 SER S H H X TS+ 0 0 -78.8 -53.0 179.7 43.6 109.5 20.7 125 -1.5 133 -1.8 0 0.0 0 0.0 16 58
130 A 140 ASN N H H X TS+ 0 0 -64.4 -40.4 178.3 57.9 109.7 29.3 126 -1.8 134 -2.9 0 0.0 0 0.0 13 66
131 A 141 GLU E H H X TS+ 0 0 -57.8 -50.4 179.0 40.2 112.5 16.0 127 -2.7 135 -2.3 0 0.0 0 0.0 11 58
132 A 142 ASN N H H X TS+ 0 0 -70.6 -25.9 176.9 59.1 109.7 35.9 128 -1.5 136 -2.8 0 0.0 0 0.0 9 63
133 A 143 ALA A H H X TS+ 0 0 -61.3 -50.0 178.1 47.0 108.8 11.8 129 -1.8 137 -2.1 0 0.0 0 0.0 12 74
134 A 144 PHE F H H X TS+ 0 0 -52.5 -52.5 -179.8 50.8 110.9 20.9 130 -2.9 138 -2.4 0 0.0 0 0.0 10 68
135 A 145 LYS K H H X TS+ 0 0 -53.5 -48.0 178.5 51.0 109.3 22.5 131 -2.3 139 -2.3 0 0.0 0 0.0 9 61
136 A 146 THR T H H X TS+ 0 0 -55.6 -42.2 -179.7 49.3 111.0 28.6 132 -2.8 140 -1.8 0 0.0 0 0.0 12 61
137 A 147 ILE I H H X TS+ 0 0 -67.2 -39.7 -179.9 49.5 110.2 28.6 133 -2.1 141 -2.0 0 0.0 0 0.0 12 60
138 A 148 PHE F H H X TS+ 0 0 -68.6 -38.5 -179.4 49.4 111.1 27.1 134 -2.4 142 -2.3 0 0.0 0 0.0 10 52
139 A 149 MET M H H X TS+ 0 0 -66.8 -38.3 -178.7 49.7 111.7 26.9 135 -2.3 143 -2.2 0 0.0 0 0.0 9 55
140 A 150 TRP W H H X TS+ 0 0 -69.1 -39.2 178.6 47.9 110.9 32.2 136 -1.8 144 -1.6 0 0.0 0 0.0 11 49
141 A 151 TYR Y H H X TS+ 0 0 -67.5 -45.6 -179.7 48.9 113.0 20.3 137 -2.0 145 -2.0 0 0.0 0 0.0 9 49
142 A 152 ARG R H H X TS+ 0 0 -60.5 -42.0 -179.2 49.7 110.5 26.9 138 -2.3 146 -3.2 0 0.0 0 0.0 8 46
143 A 153 SER S H H X TS+ 0 0 -66.6 -34.1 178.4 57.9 106.4 30.5 139 -2.2 147 -1.5 0 0.0 0 0.0 9 35
144 A 154 LYS K H H < TS+ 0 0 -57.3 -52.7 -180.0 36.5 114.7 18.0 140 -1.6 0 0.0 0 0.0 0 0.0 7 31
145 A 155 GLU E H H < TS+ 0 0 -65.9 -50.0 -179.6 54.1 115.4 21.6 141 -2.0 0 0.0 0 0.0 0 0.0 6 32
146 A 156 ARG R H H < > TS- 0 0 -59.8 -22.2 -179.4 -175.5 84.3 45.3 142 -3.2 149 -1.1 0 0.0 0 0.0 8 24
147 A 157 GLY G T h < 3 T - 0 0 58.9 -138.5 -179.3 -25.7 64.3 110.2 143 -1.5 0 0.0 0 0.0 0 0.0 6 15
148 A 158 GLN Q T T 3 TS+ 0 0 -80.9 -25.5 179.1 116.4 104.0 43.3 0 0.0 0 0.0 0 0.0 0 0.0 5 14
149 A 159 SER S t < T - 0 0 -44.5 142.6 179.1 -126.4 64.7 94.4 146 -1.1 0 0.0 0 0.0 0 0.0 6 19
150 A 160 ALA A - 0 0 -81.6 -178.6 179.2 -61.0 48.0 100.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21
151 A 161 PHE F - 0 0 -67.3 131.0 178.8 -126.2 60.0 120.8 0 0.0 0 0.0 0 0.0 0 0.0 6 28
152 A 162 SER S h > T - 0 0 -75.8 156.5 179.8 -118.3 14.9 113.7 0 0.0 156 -2.7 0 0.0 0 0.0 7 23
153 A 163 LYS K H H > TS+ 0 0 -60.2 -38.9 -180.0 53.2 118.2 28.0 0 0.0 157 -1.8 0 0.0 0 0.0 6 18
154 A 164 GLU E H H > TS+ 0 0 -62.3 -45.7 179.8 48.0 109.0 22.0 0 0.0 158 -2.7 0 0.0 0 0.0 8 20
155 A 165 GLU E H H > TS+ 0 0 -60.7 -48.1 -179.9 49.7 111.8 22.0 0 0.0 159 -2.2 0 0.0 0 0.0 12 25
156 A 166 LEU L H H X TS+ 0 0 -62.4 -32.2 -179.6 43.7 115.0 37.4 152 -2.7 160 -0.5 0 0.0 0 0.0 10 23
157 A 167 GLU E H H X TS+ 0 0 -78.6 -50.0 -179.1 44.3 116.1 19.4 153 -1.8 161 -0.5 0 0.0 0 0.0 9 18
158 A 168 THR T H H < >>TS+ 0 0 -62.4 -43.4 -178.4 60.7 104.6 30.5 154 -2.7 163 -1.9 0 0.0 161 -1.4 13 18
159 A 169 CYS C H H < >5TS+ 0 0 -55.9 -34.1 -179.3 62.0 97.9 31.9 155 -2.2 162 -1.4 0 0.0 0 0.0 12 24
160 A 170 MET M H H < 35TS+ 0 0 -62.6 -30.5 -179.2 39.7 109.6 38.1 156 -0.5 0 0.0 0 0.0 0 0.0 8 18
161 A 171 ILE I T h < <5TS- 0 0 -114.4 33.9 176.8 -99.2 122.1 93.2 158 -1.4 0 0.0 157 -0.5 0 0.0 6 15
162 A 172 ASN N T T <5TS+ 0 0 57.9 41.8 -178.9 127.0 80.0 35.4 159 -1.4 0 0.0 0 0.0 0 0.0 8 16
163 A 173 GLN Q t > > T - 208 0 -109.0 147.3 178.6 -106.3 26.2 146.1 0 0.0 178 -2.1 0 0.0 0 0.0 14 63
176 A 186 MET M T e 3 TS+ 0 0 -63.8 133.4 -179.4 23.1 109.8 114.2 208 -2.9 0 0.0 0 0.0 0 0.0 11 50
177 A 187 GLY G T T 3 TS+ 0 0 91.7 -7.1 -179.7 137.5 95.0 68.8 191 -1.4 0 0.0 0 0.0 0 0.0 12 50
178 A 188 ALA A t < T - 0 0 -71.0 155.0 176.7 -160.2 38.6 104.7 175 -2.1 191 -2.9 0 0.0 0 0.0 16 57
179 A 189 PHE F + 0 0 -140.6 117.1 -177.1 153.3 24.6 159.9 0 0.0 0 0.0 0 0.0 0 0.0 13 62
180 A 190 HIS H - 0 0 -126.7 4.8 180.0 -65.8 61.8 67.2 0 0.0 0 0.0 0 0.0 0 0.0 12 64
181 A 191 GLY G - 0 0 131.3 171.1 -178.0 -103.7 38.9 130.3 0 0.0 0 0.0 0 0.0 0 0.0 10 55
182 A 192 ARG R S S S+ 0 0 -118.8 5.9 177.2 110.2 73.9 67.6 0 0.0 0 0.0 0 0.0 0 0.0 10 40
183 A 193 THR T S h > TS- 0 0 -70.6 164.9 -178.1 -91.2 90.1 109.9 0 0.0 187 -3.3 0 0.0 0 0.0 8 32
184 A 194 MET M H H > TS+ 0 0 -48.6 -41.1 177.9 40.5 126.0 35.4 0 0.0 188 -0.9 0 0.0 0 0.0 8 34
185 A 195 GLY G H H > TS+ 0 0 -74.2 -51.8 179.7 45.2 117.9 19.0 0 0.0 189 -0.9 0 0.0 0 0.0 8 45
186 A 196 CYS C H H > > TS+ 0 0 -58.2 -39.1 -179.1 58.2 109.3 30.5 0 0.0 189 -0.6 0 0.0 190 -0.5 13 57
187 A 197 LEU L H H < > TS+ 0 0 -60.4 -38.6 -179.2 61.2 96.6 29.5 183 -3.3 190 -1.2 0 0.0 0 0.0 14 50
188 A 198 ALA A H H < 3 TS+ 0 0 -57.4 -34.8 -179.7 40.9 110.7 31.2 184 -0.9 0 0.0 0 0.0 0 0.0 10 49
189 A 199 THR T H H < < TS+ 0 0 -91.6 -3.5 -179.5 94.5 98.5 64.0 185 -0.9 0 0.0 186 -0.6 0 0.0 16 61
190 A 200 THR T h < < T + 0 0 -94.9 134.0 -179.2 166.2 39.1 141.0 187 -1.2 0 0.0 186 -0.5 0 0.0 16 58
191 A 201 HIS H + 0 0 -144.1 63.5 -177.5 116.8 34.6 118.5 178 -2.9 177 -1.4 0 0.0 0 0.0 14 51
192 A 202 SER S S S S- 0 0 -98.6 -59.1 -178.8 -4.9 77.9 25.5 0 0.0 0 0.0 0 0.0 0 0.0 12 41
193 A 203 LYS K h > > T - 0 0 -140.5 143.9 179.7 -124.2 61.4 170.8 0 0.0 196 -1.0 0 0.0 197 -0.6 9 34
194 A 204 ALA A H H > > TS+ 0 0 -56.6 -44.2 -179.6 61.9 109.3 25.1 0 0.0 198 -3.0 0 0.0 197 -1.8 7 27
195 A 205 ILE I H H 4 3 TS+ 0 0 -53.1 -28.4 179.9 56.7 100.5 37.4 0 0.0 0 0.0 0 0.0 0 0.0 5 23
196 A 206 HIS H H H 4 < TS+ 0 0 -73.5 -25.8 -175.1 26.2 120.4 41.9 193 -1.0 0 0.0 0 0.0 0 0.0 7 32
197 A 207 LYS K H H < X TS+ 0 0 -109.2 -32.9 -176.7 117.1 87.3 43.9 194 -1.8 200 -1.7 193 -0.6 0 0.0 10 30
198 A 208 ILE I T h < 3 TS+ 0 0 -51.1 133.4 177.8 8.9 82.4 97.1 194 -3.0 0 0.0 0 0.0 0 0.0 6 19
199 A 209 ASP D T T 3 TS+ 0 0 82.8 -9.2 -178.1 111.9 98.1 79.2 0 0.0 0 0.0 0 0.0 0 0.0 4 17
200 A 210 ILE I S t < TS- 0 0 -103.5 124.7 -179.8 -112.8 72.9 146.7 197 -1.7 0 0.0 0 0.0 0 0.0 5 22
201 A 211 PRO P - 0 0 -51.5 130.5 -178.0 -170.5 41.9 103.5 0 0.0 0 0.0 0 0.0 0 0.0 5 21
202 A 212 SER S - 0 0 -113.1 -166.3 177.5 -103.5 21.7 107.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31
203 A 213 PHE F - 0 0 -120.2 146.6 179.0 -116.8 31.3 158.1 0 0.0 205 -1.9 0 0.0 0 0.0 5 37
204 A 214 ASP D + 0 0 -84.3 84.3 179.7 149.0 61.0 128.0 0 0.0 0 0.0 0 0.0 0 0.0 5 37
205 A 215 TRP W - 0 0 -117.4 152.3 -179.7 -92.6 51.0 150.5 203 -1.9 0 0.0 0 0.0 0 0.0 11 49
206 A 216 PRO P e - 0 0 -61.7 151.8 179.9 -161.4 32.4 101.6 0 0.0 174 -1.5 0 0.0 0 0.0 11 50
207 A 217 ILE I E E Be - 174 0 -139.0 108.4 -179.7 -165.4 4.9 157.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48
208 A 218 ALA A E E Be - 175 0 -94.5 152.9 -180.0 -106.9 27.4 130.3 174 -2.3 176 -2.9 0 0.0 0 0.0 12 50
209 A 219 PRO P - 0 0 -76.4 144.9 178.1 -140.9 27.2 121.2 0 0.0 0 0.0 0 0.0 0 0.0 9 48
210 A 220 PHE F - 0 0 -100.6 147.7 179.7 -94.0 34.6 140.0 0 0.0 0 0.0 0 0.0 0 0.0 9 56
211 A 221 PRO P - 0 0 -69.6 139.4 176.4 -150.4 24.0 116.5 0 0.0 213 -0.9 0 0.0 0 0.0 9 49
212 A 222 ARG R - 0 0 -106.4 95.0 -179.8 -154.8 23.4 150.7 0 0.0 0 0.0 0 0.0 0 0.0 9 44
213 A 223 LEU L - 0 0 -67.6 155.1 179.3 -128.7 7.7 108.1 211 -0.9 0 0.0 0 0.0 0 0.0 9 44
214 A 224 LYS K - 0 0 -108.7 142.9 -179.2 -98.1 34.4 149.3 0 0.0 0 0.0 0 0.0 0 0.0 8 30
215 A 225 TYR Y S S S+ 0 0 -120.1 152.7 -0.5 42.2 95.7 146.9 0 0.0 0 0.0 0 0.0 0 0.0 8 37
216 A 226 PRO P S t > TS- 0 0 -63.3 151.0 -178.1 -143.8 80.3 53.9 0 0.0 220 -0.9 0 0.0 0 0.0 7 33
217 A 227 LEU L T g 4 > TS+ 0 0 -59.1 -39.7 -179.5 56.4 93.7 27.9 0 0.0 220 -0.9 0 0.0 0 0.0 9 31
218 A 228 GLU E G G 4 > TS+ 0 0 -60.7 -40.3 179.3 58.0 100.7 30.2 0 0.0 221 -0.9 0 0.0 0 0.0 6 18
219 A 229 GLU E G G 4 3 TS+ 0 0 -61.2 -27.4 -175.9 37.4 115.0 37.4 0 0.0 0 0.0 0 0.0 0 0.0 6 15
220 A 230 PHE F G h X < T + 0 0 -124.4 49.5 -179.4 131.9 64.3 102.1 216 -0.9 224 -2.3 217 -0.9 0 0.0 10 21
221 A 231 VAL V H H > < TS+ 0 0 -65.7 -44.0 179.4 41.3 84.0 19.8 218 -0.9 225 -1.9 0 0.0 0 0.0 8 23
222 A 232 LYS K H H > TS+ 0 0 -64.6 -50.4 -178.3 50.2 115.7 16.4 0 0.0 226 -2.7 0 0.0 0 0.0 6 23
223 A 233 GLU E H H > TS+ 0 0 -55.4 -41.5 -178.9 48.5 111.3 29.7 0 0.0 227 -1.8 0 0.0 0 0.0 8 23
224 A 234 ASN N H H X TS+ 0 0 -69.5 -38.8 178.9 50.2 111.0 27.5 220 -2.3 228 -2.6 0 0.0 0 0.0 12 31
225 A 235 GLN Q H H X TS+ 0 0 -65.0 -46.9 -179.3 48.9 110.3 20.2 221 -1.9 229 -2.5 0 0.0 0 0.0 8 33
226 A 236 GLN Q H H X TS+ 0 0 -59.4 -37.8 -178.9 51.7 111.8 27.0 222 -2.7 230 -2.5 0 0.0 0 0.0 8 27
227 A 237 GLU E H H X TS+ 0 0 -62.9 -51.7 -179.8 43.8 111.6 18.8 223 -1.8 231 -2.0 0 0.0 0 0.0 11 34
228 A 238 GLU E H H X TS+ 0 0 -62.1 -35.6 -179.7 52.9 113.9 31.4 224 -2.6 232 -2.7 0 0.0 0 0.0 12 39
229 A 239 ALA A H H X TS+ 0 0 -66.3 -46.3 -179.5 52.0 106.2 21.9 225 -2.5 233 -2.1 0 0.0 0 0.0 9 35
230 A 240 ARG R H H X TS+ 0 0 -57.9 -41.6 -179.3 47.2 112.2 25.1 226 -2.5 234 -1.7 0 0.0 0 0.0 8 33
231 A 241 CYS C H H X TS+ 0 0 -66.9 -48.0 -179.4 53.2 108.0 19.8 227 -2.0 235 -1.7 0 0.0 0 0.0 12 44
232 A 242 LEU L H H X TS+ 0 0 -57.3 -34.1 179.5 53.4 108.1 30.2 228 -2.7 236 -1.7 0 0.0 0 0.0 11 47
233 A 243 GLU E H H X TS+ 0 0 -66.7 -44.1 179.4 50.8 106.0 22.5 229 -2.1 237 -2.4 0 0.0 0 0.0 8 35
234 A 244 GLU E H H X TS+ 0 0 -62.9 -30.2 179.1 57.9 105.7 37.9 230 -1.7 238 -2.5 0 0.0 0 0.0 10 35
235 A 245 VAL V H H X TS+ 0 0 -65.1 -48.8 179.4 42.7 109.5 18.0 231 -1.7 239 -2.0 0 0.0 0 0.0 10 52
236 A 246 GLU E H H X TS+ 0 0 -61.3 -45.0 -179.8 53.0 113.9 25.0 232 -1.7 240 -2.0 0 0.0 0 0.0 9 47
237 A 247 ASP D H H X TS+ 0 0 -56.3 -48.2 179.7 49.2 108.3 23.3 233 -2.4 241 -3.0 0 0.0 0 0.0 8 34
238 A 248 LEU L H H X TS+ 0 0 -59.9 -43.7 -179.0 54.3 108.0 26.7 234 -2.5 242 -2.4 0 0.0 0 0.0 11 43
239 A 249 ILE I H H X TS+ 0 0 -59.3 -41.8 -179.3 40.2 114.5 26.7 235 -2.0 243 -1.1 0 0.0 0 0.0 13 47
240 A 250 VAL V H H X TS+ 0 0 -73.8 -44.9 -179.1 53.8 112.6 23.8 236 -2.0 244 -2.0 0 0.0 0 0.0 8 35
241 A 251 LYS K H H X TS+ 0 0 -59.2 -33.3 -179.4 46.8 112.7 29.0 237 -3.0 245 -1.1 0 0.0 0 0.0 8 27
242 A 252 TYR Y H H < >TS+ 0 0 -82.4 -23.3 176.5 57.9 104.2 42.9 238 -2.4 247 -2.0 0 0.0 0 0.0 12 34
243 A 253 ARG R H H < >5TS+ 0 0 -68.3 -38.7 179.8 46.6 110.5 27.5 239 -1.1 246 -0.8 0 0.0 0 0.0 10 33
244 A 254 LYS K H H < 35TS+ 0 0 -69.8 -33.9 179.0 57.5 105.7 35.3 240 -2.0 0 0.0 0 0.0 0 0.0 8 21
245 A 255 LYS K T h < 35TS- 0 0 -72.9 -6.9 -179.5 -123.2 114.4 58.2 241 -1.1 0 0.0 0 0.0 0 0.0 7 23
246 A 256 LYS K T T <5TS+ 0 0 72.3 11.8 177.8 111.5 87.2 53.2 243 -0.8 0 0.0 0 0.0 0 0.0 8 27
247 A 257 LYS K t > T + 0 0 -94.7 -75.8 -179.0 34.2 69.1 24.9 257 -0.5 262 -2.7 0 0.0 263 -2.0 11 65
260 A 270 GLU E T T 4 3 TS+ 0 0 -49.2 -37.5 -178.7 63.3 113.9 30.4 0 0.0 430 -1.9 0 0.0 0 0.0 10 60
261 A 271 GLY G T T 4 3 TS- 0 0 -69.4 -2.4 178.7 -66.2 137.1 61.5 0 0.0 0 0.0 0 0.0 0 0.0 14 56
262 A 272 GLY G T T 4 < TS- 0 0 124.2 32.6 -178.7 -78.3 72.0 44.9 259 -2.7 0 0.0 0 0.0 0 0.0 11 56
263 A 273 ASP D t < T - 0 0 40.6 72.0 -175.5 -170.8 66.4 19.4 259 -2.0 265 -0.6 0 0.0 0 0.0 14 64
264 A 274 ASN N B B E - 258 0 -104.5 118.7 -177.9 -166.8 6.6 146.2 258 -2.1 258 -2.2 0 0.0 0 0.0 9 61
265 A 275 HIS H + 0 0 -100.0 164.0 179.3 179.6 9.2 120.7 263 -0.6 0 0.0 0 0.0 0 0.0 10 62
266 A 276 ALA A - 0 0 -161.6 144.6 -176.8 -86.2 39.4 159.6 0 0.0 0 0.0 0 0.0 0 0.0 11 60
267 A 277 SER S h > T - 0 0 -55.2 156.0 178.1 -119.8 31.4 93.0 0 0.0 271 -1.4 0 0.0 0 0.0 6 50
268 A 278 ASP D H H > TS+ 0 0 -64.0 -31.1 179.7 64.0 116.7 30.3 0 0.0 272 -2.1 0 0.0 0 0.0 8 45
269 A 279 ASP D H H > TS+ 0 0 -57.9 -43.0 178.5 54.3 97.0 24.1 0 0.0 273 -2.5 0 0.0 0 0.0 7 36
270 A 280 PHE F H H > TS+ 0 0 -56.7 -45.7 -179.1 48.6 109.2 21.3 0 0.0 274 -2.5 0 0.0 0 0.0 11 52
271 A 281 PHE F H H X TS+ 0 0 -65.3 -37.5 177.9 49.4 110.5 29.8 267 -1.4 275 -2.4 0 0.0 0 0.0 11 57
272 A 282 ARG R H H X TS+ 0 0 -64.8 -49.7 180.0 47.4 112.5 19.2 268 -2.1 276 -1.8 0 0.0 0 0.0 10 43
273 A 283 LYS K H H X TS+ 0 0 -56.2 -44.7 -179.7 49.6 114.2 21.8 269 -2.5 277 -2.5 0 0.0 0 0.0 9 43
274 A 284 LEU L H H X TS+ 0 0 -62.3 -41.7 -179.3 54.8 105.4 28.5 270 -2.5 278 -2.0 0 0.0 0 0.0 9 57
275 A 285 ARG R H H X TS+ 0 0 -61.7 -32.2 -179.2 48.2 111.1 33.2 271 -2.4 279 -1.7 0 0.0 0 0.0 11 53
276 A 286 ASP D H H X TS+ 0 0 -73.5 -53.3 178.9 54.5 104.6 20.0 272 -1.8 280 -3.1 0 0.0 0 0.0 8 37
277 A 287 ILE I H H X TS+ 0 0 -46.1 -42.1 178.7 56.4 107.8 25.9 273 -2.5 281 -1.4 0 0.0 0 0.0 9 42
278 A 288 SER S H H < >>TS+ 0 0 -52.9 -61.6 179.0 41.4 109.3 16.0 274 -2.0 283 -2.1 0 0.0 281 -1.0 13 49
279 A 289 ARG R H H < >5TS+ 0 0 -53.3 -51.5 179.6 62.2 108.6 19.4 275 -1.7 282 -2.3 0 0.0 0 0.0 10 37
280 A 290 LYS K H H < 35TS+ 0 0 -48.0 -32.6 180.0 37.3 111.3 39.8 276 -3.1 0 0.0 0 0.0 0 0.0 7 29
281 A 291 HIS H T h < <5TS- 0 0 -108.0 15.0 179.2 -110.2 112.7 73.6 277 -1.4 0 0.0 278 -1.0 0 0.0 7 40
282 A 292 GLY G T T <5T + 0 0 62.2 37.3 178.6 148.4 68.0 28.4 279 -2.3 0 0.0 0 0.0 0 0.0 7 42
283 A 293 CYS C t T + 0 0 -111.6 25.4 179.0 119.1 34.7 88.1 316 -1.8 293 -1.9 287 -0.8 0 0.0 14 73
290 A 300 VAL V T T 4 TS+ 0 0 -57.7 -41.4 179.3 20.3 92.2 23.8 0 0.0 0 0.0 0 0.0 0 0.0 11 68
291 A 301 GLN Q T T 4 TS+ 0 0 -98.5 -32.5 179.4 45.9 129.0 35.3 0 0.0 0 0.0 0 0.0 0 0.0 13 69
292 A 302 THR T T T 4 TS+ 0 0 -81.1 -23.6 -179.8 92.2 93.9 42.1 0 0.0 0 0.0 0 0.0 0 0.0 13 71
293 A 303 GLY G t < T + 0 0 -70.8 149.9 -179.8 62.5 60.9 111.3 289 -1.9 0 0.0 0 0.0 0 0.0 14 71
294 A 304 GLY G S S S- 0 0 117.6 -1.9 176.8 -74.5 113.9 61.4 300 -2.0 0 0.0 0 0.0 0 0.0 11 74
295 A 305 GLY G S t > TS+ 0 0 100.9 -10.9 -178.9 123.1 89.8 71.5 300 -1.9 298 -2.0 299 -0.6 0 0.0 14 67
296 A 306 SER S T T 3 TS+ 0 0 -56.4 -30.2 -178.8 54.5 76.3 37.5 0 0.0 400 -2.5 0 0.0 0 0.0 19 71
297 A 307 THR T T T 3 TS- 0 0 -84.5 -1.2 -179.0 -99.0 124.4 64.0 299 -0.6 0 0.0 0 0.0 0 0.0 15 63
298 A 308 GLY G S t < TS+ 0 0 102.9 -21.2 177.6 73.1 107.6 82.3 295 -2.0 0 0.0 0 0.0 0 0.0 14 51
299 A 309 LYS K S S S- 0 0 -122.4 146.1 179.8 -120.9 88.8 160.3 0 0.0 297 -0.6 0 0.0 295 -0.6 11 48
300 A 310 PHE F S S S+ 0 0 -50.8 -58.8 177.4 30.9 105.1 18.2 0 0.0 294 -2.0 0 0.0 295 -1.9 12 63
301 A 311 TRP W S g > TS- 0 0 -100.8 137.0 -177.7 -137.2 83.4 150.0 0 0.0 304 -1.3 0 0.0 0 0.0 12 65
302 A 312 ALA A G G > TS+ 0 0 -64.9 -31.3 -180.0 63.2 101.7 36.3 0 0.0 305 -1.5 0 0.0 0 0.0 13 61
303 A 313 HIS H G G > TS+ 0 0 -68.9 -13.2 177.8 83.3 79.9 51.9 0 0.0 306 -2.3 0 0.0 0 0.0 8 59
304 A 314 GLU E G G X TS+ 0 0 -57.5 -27.6 178.3 67.6 81.3 31.7 301 -1.3 307 -1.2 0 0.0 0 0.0 10 46
305 A 315 HIS H G G < TS+ 0 0 -64.9 -18.6 -179.0 68.1 85.4 48.4 302 -1.5 0 0.0 0 0.0 0 0.0 7 44
306 A 316 TRP W G G < TS- 0 0 -76.9 -21.9 179.6 -141.2 92.9 41.4 303 -2.3 0 0.0 0 0.0 0 0.0 10 38
307 A 317 GLY G g < T + 0 0 81.8 -8.5 -179.2 145.3 46.8 70.9 304 -1.2 0 0.0 0 0.0 0 0.0 7 28
308 A 318 LEU L - 0 0 -65.3 155.8 178.8 -147.5 48.3 101.1 0 0.0 0 0.0 0 0.0 0 0.0 7 32
309 A 319 ASP D S S S+ 0 0 -89.3 -25.6 178.9 44.9 104.4 46.4 0 0.0 311 -0.5 0 0.0 0 0.0 6 27
310 A 320 ASP D S S S+ 0 0 -116.8 76.3 -178.2 169.8 74.9 140.3 0 0.0 0 0.0 0 0.0 0 0.0 7 40
311 A 321 ALA A - 0 0 -58.0 -47.4 -178.6 -44.3 58.3 23.5 309 -0.5 0 0.0 0 0.0 0 0.0 13 52
312 A 322 ALA A - 0 0 -168.6 -175.9 -178.8 -109.4 44.2 160.7 0 0.0 0 0.0 0 0.0 0 0.0 10 59
313 A 323 ASP D S e S+ 0 0 -101.2 -35.8 179.2 12.6 98.2 38.0 285 -2.9 329 -1.7 0 0.0 0 0.0 12 66
314 A 324 VAL V E E BgH - 286 328 -141.2 146.6 -179.6 -170.3 63.1 169.7 285 -1.6 287 -2.8 0 0.0 0 0.0 14 69
315 A 325 MET M E E BgH - 287 327 -146.8 119.2 -178.4 -159.5 7.1 159.6 327 -1.9 327 -2.3 0 0.0 0 0.0 12 73
316 A 326 THR T E E BgH + 288 326 -95.8 162.5 -179.4 173.4 13.5 122.0 287 -1.8 289 -1.8 0 0.0 0 0.0 17 74
317 A 327 PHE F E E B H + 0 325 -158.6 168.4 177.5 131.6 14.1 162.6 325 -1.5 325 -1.2 0 0.0 0 0.0 15 74
318 A 328 SER S g > T + 0 0 172.1 -151.1 -179.5 69.4 47.9 156.1 0 0.0 321 -1.9 0 0.0 0 0.0 16 63
319 A 329 LYS K G G > TS+ 0 0 51.5 -117.3 -178.3 25.6 115.5 110.5 0 0.0 322 -3.1 0 0.0 0 0.0 14 58
320 A 330 LYS K G G 3 TS+ 0 0 -40.0 -37.3 -179.0 65.5 117.4 40.0 63 -1.0 0 0.0 0 0.0 0 0.0 12 62
321 A 331 MET M G G < TS- 0 0 -68.5 -4.3 178.8 -142.9 96.8 61.6 318 -1.9 323 -2.5 0 0.0 0 0.0 12 70
322 A 332 MET M S g < TS+ 0 0 68.0 -43.1 175.4 51.8 80.4 96.6 319 -3.1 0 0.0 0 0.0 0 0.0 11 57
323 A 333 THR T S S S- 0 0 -111.4 168.2 178.0 -136.1 82.8 136.6 321 -2.5 0 0.0 0 0.0 0 0.0 15 55
324 A 334 GLY G E E BC + 123 0 -113.1 -173.7 179.3 110.7 42.6 121.3 123 -2.9 123 -1.8 0 0.0 0 0.0 17 62
325 A 335 GLY G E E BCH - 122 317 144.0 -163.2 178.2 -100.0 49.3 161.9 317 -1.2 317 -1.5 0 0.0 0 0.0 17 67
326 A 336 PHE F E E BCH - 121 316 -163.3 146.3 178.2 -138.4 10.0 166.6 121 -2.3 121 -1.9 0 0.0 0 0.0 14 73
327 A 337 PHE F E E BCH + 120 315 -96.1 156.8 177.4 173.5 32.6 131.8 315 -2.3 315 -1.9 0 0.0 0 0.0 14 62
328 A 338 HIS H E E BCH - 119 314 -164.5 159.4 179.7 -87.8 34.6 171.8 119 -1.6 119 -2.5 0 0.0 0 0.0 14 52
329 A 339 LYS K e > T - 0 0 -68.6 149.2 -179.3 -110.3 44.6 110.9 313 -1.7 332 -2.7 0 0.0 0 0.0 12 42
330 A 340 GLU E G G > TS+ 0 0 -50.3 -31.9 -178.2 62.9 115.0 39.5 0 0.0 333 -1.0 0 0.0 0 0.0 8 33
331 A 341 GLU E G G 3 TS+ 0 0 -77.6 -3.2 179.5 60.2 94.5 56.3 0 0.0 0 0.0 0 0.0 0 0.0 5 39
332 A 342 PHE F G G < TS+ 0 0 -96.8 -8.5 178.4 125.7 73.7 54.4 329 -2.7 0 0.0 0 0.0 0 0.0 9 45
333 A 343 ARG R S g < TS- 0 0 -49.1 122.4 179.8 -105.8 72.8 102.3 330 -1.0 0 0.0 0 0.0 0 0.0 9 40
334 A 344 PRO P - 0 0 -57.5 138.4 -178.9 -140.4 19.3 106.6 0 0.0 0 0.0 0 0.0 0 0.0 10 36
335 A 345 ASN N S S S+ 0 0 -73.6 -21.4 179.3 29.1 82.5 46.9 0 0.0 0 0.0 0 0.0 0 0.0 4 29
336 A 346 ALA A S t > TS- 0 0 -139.9 154.5 179.6 -106.8 84.7 166.0 0 0.0 339 -0.6 0 0.0 0 0.0 5 22
337 A 347 PRO P T T 3 TS+ 0 0 -75.5 163.7 179.7 35.1 97.9 109.6 0 0.0 0 0.0 0 0.0 0 0.0 7 21
338 A 348 TYR Y T T 3 TS+ 0 0 66.8 19.7 177.2 96.5 91.4 44.9 0 0.0 0 0.0 0 0.0 0 0.0 6 22
339 A 349 ARG R S t < TS+ 0 0 -99.3 -58.3 175.5 26.5 95.4 36.8 336 -0.6 341 -0.9 0 0.0 0 0.0 6 33
340 A 350 ILE I S S S+ 0 0 -103.3 101.8 -175.6 118.1 104.8 153.0 0 0.0 0 0.0 0 0.0 0 0.0 9 41
341 A 351 PHE F + 0 0 -158.0 167.6 177.8 166.6 30.9 162.9 339 -0.9 0 0.0 0 0.0 0 0.0 8 39
342 A 352 ASN N - 0 0 -179.4 159.9 -176.6 -86.6 49.1 152.4 0 0.0 0 0.0 0 0.0 0 0.0 7 35
343 A 353 THR T S S S+ 0 0 -46.4 -62.7 -178.5 12.0 114.7 27.2 0 0.0 94 -0.6 0 0.0 0 0.0 7 28
344 A 354 TRP W S S S- 0 0 -93.0 -30.9 -179.6 -160.9 72.7 37.6 0 0.0 93 -0.7 0 0.0 0 0.0 12 37
345 A 355 LEU L S S S- 0 0 51.0 35.9 178.5 -35.5 71.7 32.4 0 0.0 0 0.0 0 0.0 0 0.0 13 49
346 A 356 GLY G S S S- 0 0 121.1 -159.3 179.9 -83.1 79.2 145.2 0 0.0 0 0.0 0 0.0 0 0.0 13 53
347 A 357 ASP D h > > T - 0 0 -152.3 115.2 -179.9 -148.6 21.6 155.6 0 0.0 350 -1.5 0 0.0 351 -1.0 12 51
348 A 358 PRO P H H > 3 TS+ 0 0 -62.0 -18.6 179.6 66.1 96.8 46.0 0 0.0 352 -1.7 0 0.0 0 0.0 9 53
349 A 359 SER S H H > 3 TS+ 0 0 -75.6 -21.6 179.3 52.2 98.7 39.3 0 0.0 353 -1.5 0 0.0 0 0.0 8 52
350 A 360 LYS K H H > < TS+ 0 0 -81.0 -29.1 176.8 52.6 106.7 36.1 347 -1.5 354 -2.7 0 0.0 0 0.0 10 53
351 A 361 ASN N H H X TS+ 0 0 -67.7 -40.2 -179.5 57.8 105.0 26.1 347 -1.0 355 -2.5 0 0.0 0 0.0 13 59
352 A 362 LEU L H H X TS+ 0 0 -53.2 -52.6 -179.8 38.0 112.8 18.5 348 -1.7 356 -1.1 0 0.0 0 0.0 9 55
353 A 363 LEU L H H X TS+ 0 0 -66.9 -43.9 -179.1 58.5 112.3 24.7 349 -1.5 357 -2.2 0 0.0 0 0.0 11 54
354 A 364 LEU L H H X TS+ 0 0 -54.5 -44.0 -178.2 56.2 99.8 27.3 350 -2.7 358 -2.8 0 0.0 0 0.0 12 63
355 A 365 ALA A H H X TS+ 0 0 -57.2 -43.9 179.0 46.8 109.9 22.4 351 -2.5 359 -1.8 0 0.0 0 0.0 12 48
356 A 366 GLU E H H X TS+ 0 0 -63.7 -40.7 179.2 52.7 110.3 28.7 352 -1.1 360 -2.1 0 0.0 0 0.0 11 50
357 A 367 VAL V H H X TS+ 0 0 -62.2 -42.0 179.6 51.6 107.2 25.1 353 -2.2 361 -2.7 0 0.0 0 0.0 11 57
358 A 368 ILE I H H X TS+ 0 0 -61.7 -40.2 178.0 56.0 106.8 26.2 354 -2.8 362 -2.0 0 0.0 0 0.0 9 50
359 A 369 ASN N H H X TS+ 0 0 -54.1 -56.9 179.1 43.7 110.0 18.6 355 -1.8 363 -3.4 0 0.0 0 0.0 8 38
360 A 370 ILE I H H X TS+ 0 0 -58.6 -49.1 178.8 57.8 107.6 20.0 356 -2.1 364 -3.3 0 0.0 0 0.0 10 45
361 A 371 ILE I H H < >TS+ 0 0 -49.6 -40.0 179.3 36.0 117.8 25.2 357 -2.7 366 -2.0 0 0.0 367 -0.5 11 48
362 A 372 LYS K H H < >5TS+ 0 0 -77.0 -57.4 -179.2 46.0 118.9 13.9 358 -2.0 365 -1.5 0 0.0 0 0.0 9 32
363 A 373 ARG R H H < 35TS+ 0 0 -52.5 -40.9 -178.3 42.2 120.1 28.1 359 -3.4 0 0.0 0 0.0 0 0.0 6 25
364 A 374 GLU E T h < 35TS- 0 0 -87.2 -2.5 -178.2 -130.5 102.6 65.2 360 -3.3 0 0.0 0 0.0 0 0.0 6 30
365 A 375 ASP D T h > <5T + 0 0 49.3 54.5 -178.0 161.1 46.7 20.3 362 -1.5 369 -1.6 0 0.0 0 0.0 9 32
366 A 376 LEU L H H > TS+ 0 0 -74.6 -40.7 177.7 43.3 108.6 26.7 361 -0.5 371 -1.7 0 0.0 0 0.0 15 46
368 A 378 SER S H H > TS+ 0 0 -66.0 -45.8 -179.3 51.8 113.1 21.8 0 0.0 372 -2.1 0 0.0 0 0.0 8 37
369 A 379 ASN N H H X TS+ 0 0 -59.0 -35.5 -179.5 56.6 105.5 30.2 365 -1.6 373 -3.0 0 0.0 0 0.0 10 41
370 A 380 ALA A H H X TS+ 0 0 -63.0 -44.4 179.6 47.0 107.8 22.9 366 -1.5 374 -2.0 0 0.0 0 0.0 17 54
371 A 381 ALA A H H X TS+ 0 0 -65.4 -36.0 -179.9 46.2 115.9 29.8 367 -1.7 375 -1.3 0 0.0 0 0.0 14 47
372 A 382 HIS H H H X > TS+ 0 0 -69.3 -60.6 179.4 43.4 114.4 10.4 368 -2.1 376 -1.8 0 0.0 375 -0.8 10 38
373 A 383 ALA A H H X 3 TS+ 0 0 -53.5 -35.8 179.4 58.2 111.7 32.3 369 -3.0 377 -2.2 0 0.0 0 0.0 14 45
374 A 384 GLY G H H X 3 TS+ 0 0 -64.3 -36.8 179.4 51.3 103.6 30.7 370 -2.0 378 -2.8 0 0.0 0 0.0 16 49
375 A 385 LYS K H H X < TS+ 0 0 -68.7 -38.3 178.8 50.7 108.4 29.7 371 -1.3 379 -2.7 372 -0.8 0 0.0 10 42
376 A 386 VAL V H H X TS+ 0 0 -62.4 -47.8 179.7 44.8 114.6 17.6 372 -1.8 380 -2.5 0 0.0 0 0.0 11 41
377 A 387 LEU L H H X TS+ 0 0 -58.5 -57.3 179.9 46.9 114.5 14.9 373 -2.2 381 -2.5 0 0.0 0 0.0 13 52
378 A 388 LEU L H H X TS+ 0 0 -53.7 -43.7 180.0 52.1 112.5 25.1 374 -2.8 382 -2.1 0 0.0 0 0.0 13 55
379 A 389 THR T H H X TS+ 0 0 -60.0 -53.2 179.5 42.8 111.8 18.5 375 -2.7 383 -1.5 0 0.0 0 0.0 8 43
380 A 390 GLY G H H X TS+ 0 0 -64.3 -29.7 179.4 57.3 111.0 35.3 376 -2.5 384 -2.3 0 0.0 0 0.0 9 43
381 A 391 LEU L H H X TS+ 0 0 -66.5 -38.1 179.5 52.2 104.8 24.2 377 -2.5 385 -1.5 0 0.0 0 0.0 10 53
382 A 392 LEU L H H X TS+ 0 0 -62.8 -35.0 -179.7 51.1 108.4 32.2 378 -2.1 386 -1.6 0 0.0 0 0.0 9 42
383 A 393 ASP D H H X TS+ 0 0 -69.2 -45.6 179.2 49.9 108.2 23.8 379 -1.5 387 -1.8 0 0.0 0 0.0 8 34
384 A 394 LEU L H H X TS+ 0 0 -62.9 -27.4 -178.8 56.0 108.2 37.4 380 -2.3 388 -1.9 0 0.0 0 0.0 10 40
385 A 395 GLN Q H H < TS+ 0 0 -70.7 -40.7 179.8 52.8 104.4 23.4 381 -1.5 0 0.0 0 0.0 0 0.0 12 38
386 A 396 ALA A H H < TS+ 0 0 -58.3 -46.0 -177.8 38.7 115.8 26.9 382 -1.6 0 0.0 0 0.0 0 0.0 7 27
387 A 397 ARG R H H < TS+ 0 0 -82.0 -25.8 -179.8 34.9 125.0 41.8 383 -1.8 0 0.0 0 0.0 0 0.0 6 27
388 A 398 TYR Y h X > T + 0 0 -128.3 59.6 -179.9 152.3 61.1 114.3 384 -1.9 392 -2.4 0 0.0 391 -2.3 9 31
389 A 399 PRO P T T 4 3 TS+ 0 0 -59.4 -22.8 -179.7 67.5 71.7 42.1 0 0.0 0 0.0 0 0.0 0 0.0 8 28
390 A 400 GLN Q T T 4 3 TS+ 0 0 -73.8 -9.5 -179.1 23.3 116.9 50.8 0 0.0 0 0.0 0 0.0 0 0.0 6 31
391 A 401 PHE F T T 4 < TS+ 0 0 -120.7 -47.1 -179.2 51.6 117.8 43.2 388 -2.3 0 0.0 0 0.0 0 0.0 9 40
392 A 402 ILE I t < T + 0 0 -101.5 136.1 -178.4 157.5 55.8 145.5 388 -2.4 0 0.0 0 0.0 0 0.0 13 49
393 A 403 SER S + 0 0 -132.1 -39.3 -178.9 30.9 55.2 40.0 405 -2.0 0 0.0 0 0.0 0 0.0 11 43
394 A 404 ARG R - 0 0 -127.9 61.4 -179.8 -173.3 57.9 100.6 0 0.0 0 0.0 0 0.0 0 0.0 9 53
395 A 405 VAL V + 0 0 -46.2 124.3 -179.5 151.8 23.9 98.3 0 0.0 0 0.0 0 0.0 0 0.0 13 54
396 A 406 ARG R B B F + 403 0 -151.1 163.6 179.6 134.6 6.1 161.1 403 -2.0 403 -1.8 0 0.0 0 0.0 8 53
397 A 407 GLY G - 0 0 162.9 162.8 176.2 -140.4 36.7 149.8 0 0.0 0 0.0 0 0.0 0 0.0 10 58
398 A 408 ARG R S t > TS- 0 0 -144.2 125.8 -176.7 -27.1 83.6 162.5 0 0.0 401 -2.3 0 0.0 0 0.0 11 57
399 A 409 GLY G T T 3 TS- 0 0 61.0 -140.4 180.0 -32.1 129.5 116.1 0 0.0 0 0.0 0 0.0 0 0.0 14 57
400 A 410 THR T T T 3 TS+ 0 0 -93.9 10.1 178.7 109.9 111.8 69.8 296 -2.5 402 -2.3 0 0.0 0 0.0 18 69
401 A 411 PHE F t < T + 0 0 -80.8 62.3 -178.0 147.1 53.7 111.8 398 -2.3 0 0.0 0 0.0 0 0.0 12 79
402 A 412 CYS C e + 0 0 -100.1 169.3 178.1 154.7 19.0 118.0 400 -2.3 436 -3.3 0 0.0 0 0.0 15 72
403 A 413 SER S E E CIF - 435 396 -175.4 168.3 176.5 -161.5 16.0 160.6 396 -1.8 396 -2.0 0 0.0 0 0.0 13 68
404 A 414 PHE F E E CI - 434 0 -154.2 168.4 179.9 -108.9 23.2 161.5 434 -1.7 434 -2.1 0 0.0 0 0.0 12 66
405 A 415 ASP D E E CI - 433 0 -106.9 158.9 177.4 -155.5 18.6 136.2 0 0.0 393 -2.0 0 0.0 0 0.0 12 54
406 A 416 THR T e - 0 0 -121.5 164.0 -179.5 -97.6 38.6 144.8 432 -1.7 0 0.0 0 0.0 0 0.0 13 46
407 A 417 PRO P S S S- 0 0 -52.2 -38.3 -179.6 -17.5 95.6 32.0 0 0.0 0 0.0 0 0.0 0 0.0 11 33
408 A 418 ASP D S h > > TS- 0 0 -164.7 164.4 -178.5 -91.6 71.0 172.9 0 0.0 412 -2.4 0 0.0 411 -0.5 8 27
409 A 419 GLU E H H > 3 TS+ 0 0 -50.8 -34.3 -179.3 59.2 118.9 37.5 0 0.0 413 -2.4 0 0.0 0 0.0 10 28
410 A 420 SER S H H > 3 TS+ 0 0 -63.5 -49.4 178.5 39.9 109.5 22.2 0 0.0 414 -2.0 0 0.0 0 0.0 7 26
411 A 421 ILE I H H > < TS+ 0 0 -64.6 -45.9 -179.1 57.4 113.5 21.6 408 -0.5 415 -2.5 0 0.0 0 0.0 10 35
412 A 422 ARG R H H X TS+ 0 0 -51.0 -50.0 -179.3 44.4 108.4 23.7 408 -2.4 416 -1.5 0 0.0 0 0.0 14 40
413 A 423 ASN N H H X TS+ 0 0 -62.7 -47.2 179.7 56.5 109.8 18.2 409 -2.4 417 -1.8 0 0.0 0 0.0 9 38
414 A 424 LYS K H H X TS+ 0 0 -50.4 -51.8 179.0 48.7 106.5 24.7 410 -2.0 418 -2.5 0 0.0 0 0.0 8 36
415 A 425 LEU L H H X TS+ 0 0 -58.6 -36.8 -179.5 56.4 107.5 31.6 411 -2.5 419 -2.9 0 0.0 0 0.0 9 51
416 A 426 ILE I H H X TS+ 0 0 -64.1 -36.6 178.9 43.4 110.7 30.3 412 -1.5 420 -2.2 0 0.0 0 0.0 13 54
417 A 427 SER S H H X TS+ 0 0 -73.4 -46.9 177.8 49.3 114.2 23.4 413 -1.8 421 -2.3 0 0.0 0 0.0 9 42
418 A 428 ILE I H H X TS+ 0 0 -54.1 -53.2 -177.6 47.9 113.8 18.3 414 -2.5 422 -1.1 0 0.0 0 0.0 9 40
419 A 429 ALA A H H < >>TS+ 0 0 -54.6 -54.5 179.8 52.6 108.7 19.2 415 -2.9 424 -2.4 0 0.0 422 -1.3 13 49
420 A 430 ARG R H H < >5TS+ 0 0 -49.7 -44.8 -179.6 49.6 109.6 25.7 416 -2.2 423 -1.5 0 0.0 0 0.0 12 56
421 A 431 ASN N H H < 35TS+ 0 0 -69.7 -20.4 179.3 52.8 108.6 45.8 417 -2.3 0 0.0 0 0.0 0 0.0 11 47
422 A 432 LYS K T h < <5TS- 0 0 -98.8 12.7 177.7 -88.2 132.0 77.2 419 -1.3 0 0.0 418 -1.1 0 0.0 8 46
423 A 433 GLY G T e <5TS+ 0 0 98.5 9.2 -179.6 112.9 90.1 56.1 420 -1.5 56 -2.5 0 0.0 0 0.0 13 52
424 A 434 VAL V E E Ab CJ T + 433 0 -163.3 160.2 -177.5 16.2 60.5 159.5 433 -1.6 433 -1.3 0 0.0 0 0.0 13 55
430 A 440 GLY G T T 4 TS- 0 0 61.7 -156.7 -179.9 -66.2 110.0 107.9 260 -1.9 0 0.0 0 0.0 0 0.0 11 47
431 A 441 ASP D T T 4 TS+ 0 0 -98.2 -38.2 -178.1 16.9 127.3 34.4 0 0.0 0 0.0 0 0.0 0 0.0 8 40
432 A 442 LYS K T e 4 TS+ 0 0 -119.7 11.7 -178.1 106.9 98.7 73.5 0 0.0 406 -1.7 0 0.0 0 0.0 14 41
433 A 443 SER S E E T - 0 0 -72.3 -172.0 -177.1 -94.8 36.4 91.6 57 -0.5 442 -0.8 0 0.0 0 0.0 15 74
440 A 450 LEU L T T 3 TS+ 0 0 -87.7 -1.4 178.8 58.7 121.4 60.3 66 -2.6 0 0.0 0 0.0 0 0.0 13 73
441 A 451 VAL V T T 3 TS+ 0 0 -109.5 16.6 178.5 122.1 73.9 84.0 0 0.0 443 -0.7 0 0.0 0 0.0 10 64
442 A 452 PHE F t < T - 0 0 -81.5 115.0 179.4 -168.4 46.4 137.5 439 -0.8 0 0.0 0 0.0 0 0.0 11 69
443 A 453 ARG R h > > T - 0 0 -99.9 174.8 179.5 -94.4 36.5 118.8 441 -0.7 447 -1.0 0 0.0 446 -0.9 9 52
444 A 454 ASP D H H > 3 TS+ 0 0 -62.6 -23.8 179.1 61.8 120.2 41.8 0 0.0 448 -1.8 0 0.0 0 0.0 11 42
445 A 455 HIS H H H > 3 TS+ 0 0 -72.4 -27.1 177.0 52.6 102.3 29.4 0 0.0 449 -2.4 0 0.0 0 0.0 6 40
446 A 456 HIS H H H > < TS+ 0 0 -69.9 -29.1 178.2 56.9 104.6 37.4 443 -0.9 450 -2.2 0 0.0 0 0.0 8 51
447 A 457 ALA A H H X TS+ 0 0 -65.6 -42.8 179.4 43.2 110.6 21.5 443 -1.0 451 -2.6 0 0.0 0 0.0 13 56
448 A 458 HIS H H H X TS+ 0 0 -67.5 -42.2 179.9 55.5 110.3 25.0 444 -1.8 452 -2.8 0 0.0 0 0.0 10 39
449 A 459 LEU L H H X TS+ 0 0 -55.0 -48.4 -179.1 42.5 112.9 22.2 445 -2.4 453 -2.1 0 0.0 0 0.0 9 43
450 A 460 PHE F H H X TS+ 0 0 -63.2 -52.8 -178.5 53.1 112.3 17.0 446 -2.2 454 -3.4 0 0.0 0 0.0 9 61
451 A 461 LEU L H H X TS+ 0 0 -53.5 -38.2 -179.6 49.6 109.4 32.4 447 -2.6 455 -2.1 0 0.0 0 0.0 11 55
452 A 462 ASN N H H X TS+ 0 0 -68.4 -54.5 179.6 44.5 112.7 10.8 448 -2.8 456 -1.7 0 0.0 0 0.0 8 34
453 A 463 ILE I H H X TS+ 0 0 -55.0 -42.2 -179.1 51.8 114.7 25.7 449 -2.1 457 -2.1 0 0.0 0 0.0 9 40
454 A 464 PHE F H H X TS+ 0 0 -65.2 -39.2 179.1 56.6 102.7 28.6 450 -3.4 458 -1.9 0 0.0 0 0.0 9 54
455 A 465 SER S H H X TS+ 0 0 -56.1 -46.5 -179.6 48.6 108.8 21.9 451 -2.1 459 -2.6 0 0.0 0 0.0 9 37
456 A 466 ASP D H H X TS+ 0 0 -58.5 -50.2 -178.5 56.5 106.1 18.6 452 -1.7 460 -1.0 0 0.0 0 0.0 8 31
457 A 467 ILE I H H < TS+ 0 0 -50.4 -41.3 -179.5 38.9 114.4 30.6 453 -2.1 0 0.0 0 0.0 0 0.0 11 37
458 A 468 LEU L H H < > TS+ 0 0 -77.9 -37.5 -179.7 74.6 100.0 33.0 454 -1.9 461 -2.2 0 0.0 0 0.0 8 41
459 A 469 ALA A H H < 3 TS+ 0 0 -50.2 -26.4 176.8 19.7 116.9 42.5 455 -2.6 0 0.0 0 0.0 0 0.0 6 25
460 A 470 ASP D T h < 3 TS+ 0 0 -137.9 38.0 177.4 129.1 90.9 89.6 456 -1.0 0 0.0 0 0.0 0 0.0 6 21
461 A 471 PHE F t < T 0 0 -89.1 139.5 180.0 999.9 999.9 138.5 458 -2.2 0 0.0 0 0.0 0 0.0 5 30
462 A 472 LYS K 0 0 40.7 999.9 999.9 999.9 999.9 99.4 0 0.0 0 0.0 0 0.0 0 0.0 2 23
1gtxA.pdb
1GTX TRANSFERASE MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand SS B SS SS HHHHHHHHHHHHHS TT B TTT BBTEEEBTTS EEEESSHHHHT SS BT HHHHHHHHSTTSHHHHH TTTS TT Kabs/Sand
chirality ------++--+--++++++++++++--++++-----+++++--+----+-+----++----++-+-----++++++++-++++++++----+++---++ chirality
bends SS SS SS SSSSSSSSSSSSSS SS SSS SS SSS SSSSSS SS SS SSSSSSSSSSSSSSSSS SSSS SS bends
turns TTTTTTTTTTTTTTT TTTT TTTTTTTTT TTTT TTTTTTT TTTTTTTTTTTTTTTTTTTTTT TTTTT TTT turns
5-turns >5555< 5-turns
3-turns >>3<< >33< >33< >33< >33< >33X33< >>333< >33< >33 3-turns
bridge-2 C A bb bridge-2
bridge-1 A B CD AAAB AAA D bridge-1
sheets AAA AAAA sheets
4-turns >>>>XXXX444< >>44<< >>>>XX<<<< >>>4<<< >444< > 4-turns
summary SS B SS SShHHHHHHHHHHHHHh tTTt BtTTTtBBeEEEeTTteEEEEehHHHHhtSStBThHHHHHHHHhTThHHHHHh tTTTt tTh summary
sequence FDYDGPLMKTEVPGPRSRELMKQLNIIQNAEAVHFFCNYEESRGNYLVDVDGNRMLDLYSQISSIPIGYSHPALVKLVQQPQNVSTFINRPALGILPPEN sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHTTGGGG TT EEEEESSHHHHHHHHHHHHHHHHHHHHHTT HHHHHHHHTT TTTS EEEEETT SSHHHHHH S HHHHTTS Kabs/Sand
chirality ++++++++++++--++++-+-+-+-++++++++++++++++++++--+----++++++++-+-+++--+------++-+--+-++++++++--++++++- chirality
bends SSSSSSSSSSSS SS SSSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSS SSSS SS SSSSSSSS S SSSSSSS bends
turns TTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTT TTTT TTTTTTTT TTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns < >33X>><<<>33< >33< >>3<<>33< >33< >>3<< >>3>><<<<>444< >>>>XXXXXXXXXXXXXXX<<<< >>>>XX<<<< >444< >>>><<<< >>44<< 4-turns
summary HHHHHHhgGGGGgtTTt EEEEEShHHHHHHHHHHHHHHHHHHHHHhTt hHHHHHHHHhTtTTTt EEEEEeTt ShHHHHHHh ShHHHHhTt summary
sequence FVEKLRESLLSVAPKGMSQLITMACGSCSNENAFKTIFMWYRSKERGQSAFSKEELETCMINQAPGCPDYSILSFMGAFHGRTMGCLATTHSKAIHKIDI sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand EE SSTGGGHHHHHHHHHHHHHHHHHHHHHHHHTT EEEEEE SSB TTT B HHHHHHHHHHHHHTT EEEEE TTT SSTTSSS Kabs/Sand
chirality ---+----------+-++++++++++++++++++++++++++++-+---+--+--+-+++----+--+++++++++++++-+-----++++++-++-+-+ chirality
bends SSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS SS SSS SSSSSSSSSSSSSS SSS SSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTTTTTTTTTT TTTTT TTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33< >33< >>3<< >33< 3-turns
bridge-2 ffff ggg bridge-2
bridge-1 ee d*dd E E ffff bridge-1
sheets BB BBBBBB BBBBB sheets
4-turns >444X>>>XXXXXXXXXXXXXXXXXX<<<< >444< >>>>XXXXXXX<<<< >444< 4-turns
summary eEE StgGGhHHHHHHHHHHHHHHHHHHHHHHHHhTteEEEEEE SSBtTTTtB hHHHHHHHHHHHHHhTtEEEEEeTTTtStTTtSS summary
sequence PSFDWPIAPFPRLKYPLEEFVKENQQEEARCLEEVEDLIVKYRKKKKTVAGIIVEPIQSEGGDNHASDDFFRKLRDISRKHGCAFLVDEVQTGGGSTGKF sequence
210 220 230 240 250 260 270 280 290 300
author author
Kabs/Sand SGGGGG SS SEEEE GGGSSEEEEE GGGS SSTTSS SSSS HHHHHHHHHHHHHHHHTTHHHHHHHHHHHHHHHHHHHHHH TTT B STT Kabs/Sand
chirality -++++-+-++--+--+++++-+-+--+--+++--+-+++++-+----++++++++++++++++-+++++++++++++++++++++++++++++-++---+ chirality
bends SSSSSS SS S SSSSS SSSS SSSSSS SSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSS SSS SSS bends
turns TTTTTTT TTTTT TTTTT TTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTT turns
5-turns >5555< 5-turns
3-turns >>>X<<< >>3<< >>3<< >33< >33< >33< >33< >33< >33 3-turns
bridge-2 HHHH HHHH bridge-2
bridge-1 ggg CCCCC F bridge-1
sheets BBBB BBBBB sheets
4-turns >>>>XXXXXXXXXX<<<<>>>>XXXXXXXXXXXXXXXX<<5555< 5-turns
3-turns < >33< >>3<< >33<>33< >33< 3-turns
bridge-2 F JJJ bridge-2
bridge-1 III bb JJJ III bridge-1
sheets CCC AA CCC CCC sheets
4-turns >>>>XXXXXXX<<<< >444< >>>>XXXXXXXXXX<<<< 4-turns
summary teEEEeShHHHHHHHHHHHHHheEE EEETTeEEEe tTTthHHHHHHHHHHHHHHHHht summary
sequence FCSFDTPDESIRNKLISIARNKGVMLGGCGDKSIRFRPTLVFRDHHAHLFLNIFSDILADFK sequence
410 420 430 440 450 460