Secondary structure calculation program - copyright by David Keith Smith, 1989
1kgnA.pdb
1KGN METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
Sequence length - 296
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 2 SER S 0 0 999.9 -48.1 -178.3 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 8
2 A 3 ASN N t > > T + 0 0 -126.9 -32.6 -178.5 82.2 999.9 56.3 0 0.0 5 -1.7 0 0.0 6 -0.5 5 9
3 A 4 GLU E T T 4 3 TS+ 0 0 -49.7 -33.4 -179.3 37.5 101.8 38.2 0 0.0 0 0.0 0 0.0 0 0.0 5 9
4 A 5 TYR Y T h > 3 TS+ 0 0 -100.8 0.0 -178.2 96.3 87.7 66.6 0 0.0 8 -2.6 0 0.0 0 0.0 7 11
5 A 6 ASP D H H > < TS+ 0 0 -58.9 -42.7 -179.5 50.3 84.8 23.0 2 -1.7 9 -2.9 0 0.0 0 0.0 8 11
6 A 7 GLU E H H X TS+ 0 0 -61.8 -46.9 178.4 48.2 110.6 20.8 2 -0.5 10 -1.6 0 0.0 0 0.0 8 12
7 A 8 TYR Y H H > TS+ 0 0 -59.2 -44.4 -179.2 49.1 113.1 21.9 0 0.0 11 -0.6 0 0.0 0 0.0 7 14
8 A 9 ILE I H H < > TS+ 0 0 -63.3 -42.0 179.2 50.8 109.7 20.2 4 -2.6 11 -1.2 0 0.0 0 0.0 8 14
9 A 10 ALA A H H < 3 TS+ 0 0 -65.5 -24.6 179.8 48.3 112.6 40.9 5 -2.9 0 0.0 0 0.0 0 0.0 7 14
10 A 11 ASN N H H < 3 TS+ 0 0 -95.2 -2.0 178.0 52.7 109.6 63.7 6 -1.6 0 0.0 0 0.0 0 0.0 6 13
11 A 12 HIS H h < < T + 0 0 -131.8 70.4 -177.7 149.0 60.4 124.5 8 -1.2 0 0.0 7 -0.6 0 0.0 7 12
12 A 13 THR T + 0 0 -77.8 -23.1 178.1 94.4 44.0 44.5 0 0.0 0 0.0 0 0.0 0 0.0 6 12
13 A 14 ASP D S S S- 0 0 -68.2 148.6 -179.7 -95.6 90.1 113.0 0 0.0 0 0.0 0 0.0 0 0.0 4 11
14 A 15 PRO P - 0 0 -63.7 145.8 174.6 -122.0 30.3 108.8 0 0.0 0 0.0 0 0.0 0 0.0 5 11
15 A 16 VAL V - 0 0 -84.1 135.9 -177.2 -133.2 37.9 140.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14
16 A 17 LYS K - 0 0 -103.3 143.0 178.7 -142.0 8.4 137.7 0 0.0 0 0.0 0 0.0 0 0.0 4 16
17 A 18 ALA A - 0 0 -92.6 141.4 179.9 -102.0 38.7 138.1 0 0.0 0 0.0 0 0.0 0 0.0 4 16
18 A 19 ILE I - 0 0 -68.3 135.4 -179.2 -158.0 32.5 116.9 0 0.0 20 -0.6 0 0.0 0 0.0 6 24
19 A 20 ASN N t > T - 0 0 -115.9 108.1 179.8 -175.3 12.9 161.4 0 0.0 22 -1.0 0 0.0 0 0.0 6 21
20 A 21 TRP W T T 3 TS+ 0 0 -83.2 4.1 178.7 73.5 79.8 64.9 18 -0.6 0 0.0 0 0.0 0 0.0 6 24
21 A 22 ASN N T T 3 TS+ 0 0 -89.8 -6.2 179.5 50.4 98.5 59.0 0 0.0 0 0.0 0 0.0 0 0.0 4 16
22 A 23 VAL V t < T + 0 0 -134.5 110.2 -175.9 178.4 68.9 161.8 19 -1.0 0 0.0 0 0.0 0 0.0 5 19
23 A 24 ILE I - 0 0 -119.6 100.8 -179.9 -172.6 13.0 153.7 0 0.0 0 0.0 0 0.0 0 0.0 10 25
24 A 25 PRO P S S S+ 0 0 -67.7 -16.3 175.8 35.6 84.3 45.3 0 0.0 0 0.0 0 0.0 0 0.0 5 24
25 A 26 ASP D h > > T - 0 0 -137.9 106.3 -177.4 -158.7 69.5 153.7 0 0.0 28 -1.8 0 0.0 29 -0.7 7 31
26 A 27 GLU E H H > 3 TS+ 0 0 -54.0 -28.1 -179.7 69.4 88.6 41.6 0 0.0 30 -2.3 0 0.0 0 0.0 7 27
27 A 28 LYS K H H > 3 TS+ 0 0 -62.0 -32.1 179.6 59.3 91.1 36.6 0 0.0 31 -2.8 0 0.0 0 0.0 6 37
28 A 29 ASP D H H > < TS+ 0 0 -64.0 -43.5 -179.8 42.9 109.8 24.1 25 -1.8 32 -2.4 0 0.0 0 0.0 11 44
29 A 30 LEU L H H X TS+ 0 0 -69.7 -41.0 179.1 53.0 112.9 24.6 25 -0.7 33 -2.8 0 0.0 0 0.0 10 38
30 A 31 GLU E H H X TS+ 0 0 -57.3 -46.0 -178.3 42.9 113.7 21.0 26 -2.3 34 -2.2 0 0.0 0 0.0 8 35
31 A 32 VAL V H H X TS+ 0 0 -70.2 -40.6 177.2 51.8 112.6 24.8 27 -2.8 35 -3.1 0 0.0 0 0.0 11 42
32 A 33 TRP W H H X TS+ 0 0 -59.1 -48.4 -177.9 46.3 112.8 20.5 28 -2.4 36 -2.6 0 0.0 0 0.0 11 43
33 A 34 ASP D H H X TS+ 0 0 -62.7 -42.6 179.3 47.1 115.0 22.8 29 -2.8 37 -2.1 0 0.0 0 0.0 8 31
34 A 35 ARG R H H X TS+ 0 0 -63.1 -49.4 -176.8 43.3 115.7 18.4 30 -2.2 38 -1.1 0 0.0 0 0.0 8 34
35 A 36 LEU L H H < TS+ 0 0 -66.4 -44.5 179.8 42.5 118.5 22.4 31 -3.1 0 0.0 0 0.0 0 0.0 11 42
36 A 37 THR T H H < > TS+ 0 0 -70.0 -34.5 -179.9 55.9 111.3 29.4 32 -2.6 39 -1.7 0 0.0 0 0.0 8 34
37 A 38 GLY G H H < 3 TS+ 0 0 -67.6 -21.0 -179.4 53.6 106.5 40.2 33 -2.1 0 0.0 0 0.0 0 0.0 6 23
38 A 39 ASN N T h < 3 TS+ 0 0 -98.0 14.5 179.4 146.8 78.3 77.1 34 -1.1 0 0.0 0 0.0 0 0.0 7 35
39 A 40 PHE F t < T + 0 0 -51.8 137.4 176.9 157.3 17.2 101.2 36 -1.7 0 0.0 0 0.0 0 0.0 6 37
40 A 41 TRP W - 0 0 -156.2 160.8 174.4 -149.1 30.6 165.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37
41 A 42 LEU L g > T - 0 0 -130.6 147.3 -179.2 -119.3 30.1 166.6 0 0.0 44 -2.1 0 0.0 0 0.0 7 38
42 A 43 PRO P G G > TS+ 0 0 -58.9 -26.3 178.9 74.6 107.0 38.8 0 0.0 45 -2.1 0 0.0 0 0.0 10 43
43 A 44 GLU E G G 3 TS+ 0 0 -59.3 -18.1 -179.7 70.3 83.5 44.0 0 0.0 0 0.0 0 0.0 0 0.0 6 34
44 A 45 LYS K G G < TS+ 0 0 -75.0 -12.3 179.7 71.7 88.5 52.7 41 -2.1 0 0.0 0 0.0 0 0.0 6 28
45 A 46 ILE I S g < TS- 0 0 -107.0 126.6 -179.7 -129.9 85.1 158.3 42 -2.1 47 -2.4 0 0.0 0 0.0 9 35
46 A 47 PRO P g > T + 0 0 -75.2 68.7 -178.9 165.6 37.4 112.2 0 0.0 49 -2.3 0 0.0 0 0.0 8 33
47 A 48 VAL V G G > T + 0 0 -54.9 -31.2 -179.0 72.0 66.7 34.1 45 -2.4 50 -2.9 0 0.0 0 0.0 11 38
48 A 49 SER S G G > TS+ 0 0 -60.4 -19.6 176.9 70.7 83.2 41.5 0 0.0 51 -1.5 0 0.0 0 0.0 7 32
49 A 50 ASN N G G < TS+ 0 0 -71.8 -6.6 177.5 63.1 89.9 54.9 46 -2.3 0 0.0 0 0.0 0 0.0 7 31
50 A 51 ASP D G h > < TS+ 0 0 -93.6 1.7 -175.7 99.5 71.9 69.3 47 -2.9 54 -3.0 0 0.0 0 0.0 14 38
51 A 52 ILE I H H > < TS+ 0 0 -60.0 -39.6 179.7 47.2 82.5 25.5 48 -1.5 55 -2.6 0 0.0 0 0.0 10 31
52 A 53 GLN Q H H > TS+ 0 0 -66.3 -42.3 -179.5 48.0 114.1 21.3 0 0.0 56 -1.3 0 0.0 0 0.0 7 25
53 A 54 SER S H H > TS+ 0 0 -62.8 -47.0 178.9 47.7 113.6 19.8 0 0.0 57 -0.5 0 0.0 0 0.0 9 34
54 A 55 TRP W H H < > TS+ 0 0 -59.8 -44.6 -179.0 54.5 107.8 26.7 50 -3.0 57 -1.3 0 0.0 0 0.0 11 40
55 A 56 ASN N H H < 3 TS+ 0 0 -64.2 -23.0 179.5 54.2 105.8 39.4 51 -2.6 0 0.0 0 0.0 0 0.0 6 31
56 A 57 LYS K H H < 3 TS+ 0 0 -85.9 -11.1 -180.0 103.1 87.8 55.1 52 -1.3 0 0.0 0 0.0 0 0.0 6 24
57 A 58 MET M S h < < TS- 0 0 -72.4 151.2 -179.3 -107.2 78.9 113.2 54 -1.3 0 0.0 53 -0.5 0 0.0 8 31
58 A 59 THR T h > T - 0 0 -74.2 161.3 179.2 -109.5 27.5 103.9 0 0.0 62 -2.9 0 0.0 0 0.0 6 27
59 A 60 PRO P H H > TS+ 0 0 -58.0 -36.6 179.7 51.4 122.4 25.4 0 0.0 63 -2.7 0 0.0 0 0.0 6 26
60 A 61 GLN Q H H > TS+ 0 0 -66.0 -42.0 178.8 48.1 110.1 28.2 0 0.0 64 -2.1 0 0.0 0 0.0 8 29
61 A 62 GLU E H H > TS+ 0 0 -65.0 -45.7 179.6 48.0 113.3 22.7 0 0.0 65 -2.2 0 0.0 0 0.0 9 41
62 A 63 GLN Q H H X TS+ 0 0 -62.3 -43.2 -178.5 50.2 111.0 21.3 58 -2.9 66 -2.8 0 0.0 0 0.0 10 47
63 A 64 LEU L H H X TS+ 0 0 -62.3 -42.6 179.8 48.8 110.7 22.9 59 -2.7 67 -2.6 0 0.0 0 0.0 8 46
64 A 65 ALA A H H X TS+ 0 0 -63.4 -40.7 -179.9 50.6 111.5 25.7 60 -2.1 68 -3.1 0 0.0 0 0.0 10 53
65 A 66 THR T H H X TS+ 0 0 -63.0 -47.4 -179.9 49.0 110.5 20.3 61 -2.2 69 -2.5 0 0.0 0 0.0 10 69
66 A 67 MET M H H X TS+ 0 0 -58.6 -43.9 -177.9 44.3 115.9 21.7 62 -2.8 70 -1.9 0 0.0 0 0.0 12 59
67 A 68 ARG R H H X TS+ 0 0 -71.6 -48.6 179.5 46.1 113.5 15.7 63 -2.6 71 -2.7 0 0.0 0 0.0 12 59
68 A 69 VAL V H H X TS+ 0 0 -60.3 -42.0 -179.9 49.3 114.9 18.1 64 -3.1 72 -2.1 0 0.0 0 0.0 12 71
69 A 70 PHE F H H X TS+ 0 0 -64.4 -35.3 178.2 49.3 110.9 31.0 65 -2.5 73 -2.3 0 0.0 0 0.0 10 66
70 A 71 THR T H H X TS+ 0 0 -70.5 -40.1 176.1 51.3 109.9 23.4 66 -1.9 74 -2.4 0 0.0 0 0.0 12 62
71 A 72 GLY G H H X TS+ 0 0 -60.5 -37.1 178.5 48.3 111.5 28.5 67 -2.7 75 -2.0 0 0.0 0 0.0 11 66
72 A 73 LEU L H H X TS+ 0 0 -70.1 -39.7 178.2 53.7 108.7 25.7 68 -2.1 76 -2.4 0 0.0 0 0.0 11 68
73 A 74 THR T H H X TS+ 0 0 -60.5 -41.3 179.9 52.2 107.1 21.6 69 -2.3 77 -2.5 0 0.0 0 0.0 12 60
74 A 75 LEU L H H X TS+ 0 0 -59.5 -48.7 -179.9 49.1 109.4 17.5 70 -2.4 78 -2.3 0 0.0 0 0.0 11 56
75 A 76 LEU L H H X TS+ 0 0 -58.7 -43.8 178.8 45.9 113.0 27.8 71 -2.0 79 -2.6 0 0.0 0 0.0 11 68
76 A 77 ASP D H H X TS+ 0 0 -68.3 -32.4 178.4 56.7 108.8 33.6 72 -2.4 80 -2.6 0 0.0 0 0.0 12 63
77 A 78 THR T H H X TS+ 0 0 -62.8 -46.3 178.8 41.9 112.7 19.4 73 -2.5 81 -2.0 0 0.0 0 0.0 11 48
78 A 79 ILE I H H X >TS+ 0 0 -65.0 -49.1 -178.8 50.1 114.5 20.1 74 -2.3 83 -2.6 0 0.0 82 -2.5 11 52
79 A 80 GLN Q H H < >TS+ 0 0 -59.8 -39.5 -178.7 42.3 115.3 28.4 75 -2.6 84 -3.0 0 0.0 0 0.0 13 60
80 A 81 GLY G H H < 5TS+ 0 0 -77.9 -36.3 -178.5 33.3 124.2 29.4 76 -2.6 0 0.0 0 0.0 0 0.0 15 50
81 A 82 THR T H H < 5TS+ 0 0 -95.0 -16.6 180.0 6.1 140.4 47.5 77 -2.0 0 0.0 0 0.0 0 0.0 10 35
82 A 83 VAL V T h X 5TS+ 0 0 -130.1 -46.7 -174.5 53.7 121.3 51.0 78 -2.5 86 -1.9 0 0.0 0 0.0 10 45
83 A 84 GLY G H H > > TS+ 0 0 -60.6 -38.9 -179.8 59.8 98.3 30.0 0 0.0 88 -1.1 0 0.0 0 0.0 12 44
86 A 87 SER S H H < 3 TS+ 0 0 -66.3 -15.3 -178.4 59.7 99.1 45.9 82 -1.9 0 0.0 0 0.0 0 0.0 10 48
87 A 88 LEU L H H < X TS+ 0 0 -85.8 -19.0 -179.6 83.3 82.6 48.1 84 -1.2 90 -1.0 83 -0.7 0 0.0 12 56
88 A 89 LEU L G h < X TS+ 0 0 -49.6 -50.4 -179.1 53.3 85.1 27.2 85 -1.1 91 -1.7 84 -0.5 0 0.0 9 42
89 A 90 PRO P G G 3 TS+ 0 0 -61.0 -20.4 -176.9 50.3 109.9 46.7 0 0.0 0 0.0 0 0.0 0 0.0 5 33
90 A 91 ASP D G G < TS+ 0 0 -103.2 7.3 -178.0 133.8 79.3 73.0 87 -1.0 0 0.0 0 0.0 0 0.0 6 41
91 A 92 ALA A g < T - 0 0 -62.3 147.0 178.0 -150.0 48.7 104.8 88 -1.7 0 0.0 0 0.0 0 0.0 9 41
92 A 93 GLU E S S S+ 0 0 -84.8 -26.0 -177.5 24.7 82.4 43.8 0 0.0 0 0.0 0 0.0 0 0.0 5 38
93 A 94 THR T S h > TS- 0 0 -137.5 159.6 178.6 -122.1 74.6 159.6 0 0.0 97 -1.2 0 0.0 0 0.0 8 39
94 A 95 MET M H H > TS+ 0 0 -70.5 -30.8 -179.9 58.3 114.0 34.5 0 0.0 98 -1.8 0 0.0 0 0.0 8 34
95 A 96 HIS H H H > TS+ 0 0 -67.3 -33.1 177.6 56.0 101.2 30.6 0 0.0 99 -2.0 0 0.0 0 0.0 11 40
96 A 97 GLU E H H > TS+ 0 0 -65.4 -36.0 177.5 53.4 104.2 27.9 0 0.0 100 -2.2 0 0.0 0 0.0 10 51
97 A 98 GLU E H H X TS+ 0 0 -64.2 -39.5 179.2 52.0 107.1 23.0 93 -1.2 101 -1.5 0 0.0 0 0.0 10 45
98 A 99 ALA A H H X TS+ 0 0 -61.2 -44.9 178.4 53.6 106.4 24.3 94 -1.8 102 -1.6 0 0.0 0 0.0 9 45
99 A 100 VAL V H H X TS+ 0 0 -56.2 -45.0 -179.8 54.4 105.2 20.6 95 -2.0 103 -2.8 0 0.0 0 0.0 11 56
100 A 101 TYR Y H H X TS+ 0 0 -60.7 -33.9 177.8 55.8 103.3 31.2 96 -2.2 104 -2.9 0 0.0 0 0.0 12 58
101 A 102 THR T H H X TS+ 0 0 -65.3 -37.8 177.8 46.5 109.6 26.9 97 -1.5 105 -1.8 0 0.0 0 0.0 10 42
102 A 103 ASN N H H X TS+ 0 0 -67.6 -44.1 179.2 50.6 112.0 19.8 98 -1.6 106 -2.8 0 0.0 0 0.0 11 48
103 A 104 ILE I H H X TS+ 0 0 -57.7 -44.9 179.3 52.4 108.9 19.9 99 -2.8 107 -2.3 0 0.0 0 0.0 11 64
104 A 105 ALA A H H X TS+ 0 0 -55.9 -47.1 -179.6 45.8 112.0 22.5 100 -2.9 108 -1.5 0 0.0 0 0.0 14 48
105 A 106 PHE F H H X TS+ 0 0 -63.8 -46.9 -178.8 49.8 111.7 21.4 101 -1.8 109 -2.1 0 0.0 0 0.0 9 44
106 A 107 MET M H H X TS+ 0 0 -65.7 -28.5 177.9 57.3 105.3 32.2 102 -2.8 110 -2.8 0 0.0 0 0.0 9 56
107 A 108 GLU E H H X TS+ 0 0 -67.6 -34.3 176.6 50.0 107.2 27.1 103 -2.3 111 -2.4 0 0.0 0 0.0 12 59
108 A 109 SER S H H X TS+ 0 0 -66.8 -38.4 177.3 50.4 109.9 26.6 104 -1.5 112 -2.5 0 0.0 0 0.0 12 42
109 A 110 VAL V H H X TS+ 0 0 -63.9 -43.4 179.3 50.3 110.3 23.9 105 -2.1 113 -2.0 0 0.0 0 0.0 10 47
110 A 111 HIS H H H X TS+ 0 0 -58.2 -50.7 -178.3 47.9 110.9 16.7 106 -2.8 114 -1.0 0 0.0 0 0.0 11 58
111 A 112 ALA A H H X > TS+ 0 0 -57.2 -43.9 -178.9 50.8 111.2 21.3 107 -2.4 115 -1.0 0 0.0 114 -0.7 13 54
112 A 113 LYS K H H X 3 TS+ 0 0 -63.8 -34.5 -178.3 67.0 99.2 31.5 108 -2.5 116 -2.1 0 0.0 0 0.0 10 43
113 A 114 SER S H H X 3 TS+ 0 0 -56.0 -38.7 179.5 54.2 96.0 33.3 109 -2.0 117 -2.4 0 0.0 0 0.0 11 54
114 A 115 TYR Y H H X < TS+ 0 0 -65.8 -35.2 177.9 50.1 108.1 29.5 110 -1.0 118 -2.9 111 -0.7 0 0.0 11 65
115 A 116 SER S H H X TS+ 0 0 -68.0 -38.0 177.5 52.8 108.4 27.1 111 -1.0 119 -3.4 0 0.0 0 0.0 8 49
116 A 117 ASN N H H X TS+ 0 0 -60.7 -44.1 179.2 46.6 111.8 22.1 112 -2.1 120 -1.3 0 0.0 0 0.0 10 44
117 A 118 ILE I H H X TS+ 0 0 -62.7 -50.2 -179.3 44.3 115.9 15.5 113 -2.4 121 -2.8 0 0.0 0 0.0 11 58
118 A 119 PHE F H H X TS+ 0 0 -59.3 -46.4 -176.7 53.6 110.7 23.7 114 -2.9 122 -1.7 0 0.0 0 0.0 11 52
119 A 120 MET M H H < TS+ 0 0 -63.6 -24.5 178.4 40.8 115.9 36.7 115 -3.4 0 0.0 0 0.0 0 0.0 9 37
120 A 121 THR T H H < TS+ 0 0 -87.1 -47.4 -178.1 22.1 130.1 25.0 116 -1.3 0 0.0 0 0.0 0 0.0 9 37
121 A 122 LEU L H H < TS+ 0 0 -89.4 -43.4 -173.2 66.8 107.8 27.8 117 -2.8 0 0.0 0 0.0 0 0.0 11 49
122 A 123 ALA A S h < TS- 0 0 -90.2 159.7 177.0 -113.1 73.5 113.1 118 -1.7 0 0.0 0 0.0 0 0.0 9 44
123 A 124 SER S h > T - 0 0 -79.7 164.4 178.6 -110.0 34.2 114.3 0 0.0 127 -2.0 0 0.0 0 0.0 8 28
124 A 125 THR T H H > TS+ 0 0 -60.6 -45.7 179.6 51.1 119.0 23.0 0 0.0 128 -2.9 0 0.0 0 0.0 7 22
125 A 126 PRO P H H > TS+ 0 0 -59.4 -41.1 179.2 53.4 108.2 25.6 0 0.0 129 -2.8 0 0.0 0 0.0 6 22
126 A 127 GLN Q H H > TS+ 0 0 -59.9 -43.6 179.1 46.2 110.8 23.5 0 0.0 130 -2.0 0 0.0 0 0.0 9 35
127 A 128 ILE I H H X TS+ 0 0 -64.6 -47.7 179.8 47.7 114.0 17.6 123 -2.0 131 -2.2 0 0.0 0 0.0 11 36
128 A 129 ASN N H H X TS+ 0 0 -60.2 -39.5 -178.7 48.7 112.9 26.9 124 -2.9 132 -2.1 0 0.0 0 0.0 8 28
129 A 130 GLU E H H X TS+ 0 0 -69.5 -34.1 179.6 53.5 109.2 30.9 125 -2.8 133 -2.5 0 0.0 0 0.0 8 29
130 A 131 ALA A H H X TS+ 0 0 -66.3 -46.3 179.2 44.5 110.8 23.4 126 -2.0 134 -2.1 0 0.0 0 0.0 11 40
131 A 132 PHE F H H X TS+ 0 0 -66.8 -39.1 177.2 51.5 113.6 24.3 127 -2.2 135 -1.6 0 0.0 0 0.0 9 39
132 A 133 ARG R H H X > TS+ 0 0 -61.4 -47.7 178.7 50.2 109.0 16.4 128 -2.1 136 -1.6 0 0.0 135 -0.5 8 26
133 A 134 TRP W H H X 3 TS+ 0 0 -54.9 -42.3 -177.8 55.5 107.3 26.3 129 -2.5 137 -1.8 0 0.0 0 0.0 9 32
134 A 135 SER S H H < 3 TS+ 0 0 -62.4 -34.3 177.6 49.8 106.8 35.0 130 -2.1 0 0.0 0 0.0 0 0.0 13 43
135 A 136 GLU E H H < < TS+ 0 0 -71.2 -32.1 -177.2 39.4 118.3 35.2 131 -1.6 0 0.0 132 -0.5 0 0.0 7 31
136 A 137 GLU E H H < TS+ 0 0 -96.1 -12.6 -177.1 106.8 83.9 55.1 132 -1.6 138 -0.6 0 0.0 0 0.0 7 25
137 A 138 ASN N h X T - 0 0 -77.3 119.2 -176.0 -154.4 56.0 124.6 133 -1.8 141 -2.6 0 0.0 0 0.0 8 35
138 A 139 GLU E H H > TS+ 0 0 -62.0 -38.5 -179.6 48.7 90.6 31.5 136 -0.6 142 -2.2 0 0.0 0 0.0 6 31
139 A 140 ASN N H H > TS+ 0 0 -72.0 -36.4 179.4 48.0 112.6 28.1 0 0.0 143 -2.4 0 0.0 0 0.0 10 40
140 A 141 LEU L H H > TS+ 0 0 -66.8 -46.8 -179.5 44.7 115.2 16.3 0 0.0 144 -2.3 0 0.0 0 0.0 10 52
141 A 142 GLN Q H H X TS+ 0 0 -63.4 -38.5 179.8 53.6 112.6 26.1 137 -2.6 145 -2.7 0 0.0 0 0.0 11 39
142 A 143 ARG R H H X TS+ 0 0 -64.7 -44.3 -179.0 45.8 108.7 20.8 138 -2.2 146 -2.4 0 0.0 0 0.0 9 38
143 A 144 LYS K H H X TS+ 0 0 -67.2 -37.5 178.6 50.5 114.5 20.5 139 -2.4 147 -2.1 0 0.0 0 0.0 10 56
144 A 145 ALA A H H X TS+ 0 0 -61.9 -45.3 -177.6 43.9 113.1 21.1 140 -2.3 148 -2.6 0 0.0 0 0.0 11 52
145 A 146 LYS K H H X TS+ 0 0 -71.5 -33.0 176.9 55.8 109.9 32.9 141 -2.7 149 -2.1 0 0.0 0 0.0 8 39
146 A 147 ILE I H H X TS+ 0 0 -61.3 -50.4 -179.0 41.8 113.2 13.3 142 -2.4 150 -1.1 0 0.0 0 0.0 8 45
147 A 148 ILE I H H X > TS+ 0 0 -63.6 -44.7 179.7 50.8 114.3 19.4 143 -2.1 151 -1.8 0 0.0 150 -0.8 11 59
148 A 149 MET M H H X 3 TS+ 0 0 -62.7 -28.1 179.9 66.3 99.5 34.1 144 -2.6 152 -2.4 0 0.0 0 0.0 11 44
149 A 150 SER S H H < 3 TS+ 0 0 -62.2 -34.7 179.5 43.0 105.6 27.4 145 -2.1 0 0.0 0 0.0 0 0.0 8 34
150 A 151 TYR Y H H < X TS+ 0 0 -79.5 -37.4 177.5 53.9 110.5 27.0 146 -1.1 153 -1.2 147 -0.8 0 0.0 12 41
151 A 152 TYR Y H H < 3 TS+ 0 0 -60.8 -34.3 -179.2 47.7 111.8 29.6 147 -1.8 0 0.0 0 0.0 0 0.0 12 43
152 A 153 ASN N T h < 3 TS+ 0 0 -84.9 -2.6 178.6 84.5 102.8 59.3 148 -2.4 0 0.0 0 0.0 0 0.0 7 31
153 A 154 GLY G S t < TS- 0 0 -87.2 -172.5 -178.5 -115.9 84.2 95.6 150 -1.2 0 0.0 0 0.0 0 0.0 7 27
154 A 155 ASP D S S S+ 0 0 -116.3 22.9 179.7 101.5 78.8 81.6 0 0.0 0 0.0 0 0.0 0 0.0 6 23
155 A 156 ASP D h > T - 0 0 -108.9 108.2 -179.0 -164.2 51.5 154.3 0 0.0 159 -1.5 0 0.0 0 0.0 7 33
156 A 157 PRO P H H > TS+ 0 0 -59.0 -41.4 -179.4 50.7 87.6 27.0 0 0.0 160 -1.5 0 0.0 0 0.0 8 47
157 A 158 LEU L H H > TS+ 0 0 -67.4 -35.6 179.2 54.1 106.7 27.9 0 0.0 161 -2.2 0 0.0 0 0.0 9 54
158 A 159 LYS K H H > TS+ 0 0 -67.1 -29.9 178.5 57.3 104.2 32.7 0 0.0 162 -2.5 0 0.0 0 0.0 8 54
159 A 160 LYS K H H X TS+ 0 0 -65.4 -38.7 -179.0 46.2 108.2 23.2 155 -1.5 163 -2.4 0 0.0 0 0.0 14 56
160 A 161 LYS K H H X TS+ 0 0 -72.5 -38.0 177.9 50.0 111.5 28.0 156 -1.5 164 -2.5 0 0.0 0 0.0 13 68
161 A 162 VAL V H H X TS+ 0 0 -62.3 -46.2 -179.3 47.5 113.3 17.2 157 -2.2 165 -2.5 0 0.0 0 0.0 12 70
162 A 163 ALA A H H X TS+ 0 0 -59.9 -46.1 178.7 48.8 112.6 21.1 158 -2.5 166 -2.2 0 0.0 0 0.0 11 70
163 A 164 SER S H H X TS+ 0 0 -60.2 -42.5 -178.1 48.1 112.4 24.7 159 -2.4 167 -2.7 0 0.0 0 0.0 14 74
164 A 165 THR T H H X TS+ 0 0 -69.6 -36.8 178.3 47.9 112.1 27.2 160 -2.5 168 -3.1 0 0.0 0 0.0 17 72
165 A 166 LEU L H H X >TS+ 0 0 -71.3 -31.2 179.8 51.2 112.3 30.9 161 -2.5 170 -2.6 0 0.0 169 -1.5 14 78
166 A 167 LEU L H H < >TS+ 0 0 -68.8 -43.4 -177.4 36.0 119.2 18.0 162 -2.2 171 -1.6 0 0.0 0 0.0 11 81
167 A 168 GLU E H H < 5TS+ 0 0 -77.7 -38.4 -175.2 34.7 126.0 27.7 163 -2.7 0 0.0 0 0.0 0 0.0 13 74
168 A 169 SER S H H < 5TS+ 0 0 -95.5 -15.2 179.3 14.8 135.0 49.4 164 -3.1 0 0.0 0 0.0 0 0.0 15 64
169 A 170 PHE F T h X >5TS+ 0 0 -121.8 -53.8 -175.4 51.8 118.6 45.1 165 -1.5 172 -1.7 0 0.0 173 -0.5 14 70
170 A 171 LEU L T T 4 > > < TS+ 0 0 -78.6 -31.5 176.1 63.8 75.7 32.2 169 -1.7 176 -1.4 0 0.0 0 0.0 11 73
173 A 174 SER S H H < < TS+ 0 0 -58.8 -10.8 178.8 48.4 115.4 42.1 170 -0.6 0 0.0 169 -0.5 0 0.0 14 68
174 A 175 GLY G H H 4 X TS+ 0 0 -95.9 -42.4 178.6 52.6 102.0 34.9 171 -0.9 177 -0.5 0 0.0 0 0.0 12 73
175 A 176 PHE F H H X 3 TS+ 0 0 -71.0 -16.4 178.9 76.9 93.7 49.3 171 -1.2 179 -1.6 0 0.0 0 0.0 9 75
176 A 177 TYR Y H H X 3 TS+ 0 0 -55.9 -47.5 -176.8 54.5 90.7 17.8 172 -1.4 180 -2.8 0 0.0 0 0.0 11 70
177 A 178 LEU L H H > < TS+ 0 0 -57.3 -55.7 179.5 41.3 109.4 21.0 174 -0.5 181 -2.8 0 0.0 0 0.0 9 70
178 A 179 PRO P H H > TS+ 0 0 -64.3 -33.1 -180.0 49.8 116.9 28.9 0 0.0 182 -2.3 0 0.0 0 0.0 13 63
179 A 180 MET M H H X TS+ 0 0 -70.8 -40.6 177.4 45.4 113.2 23.5 175 -1.6 183 -1.7 0 0.0 0 0.0 12 47
180 A 181 TYR Y H H X TS+ 0 0 -64.8 -50.1 178.1 49.1 114.1 16.1 176 -2.8 184 -0.7 0 0.0 0 0.0 10 51
181 A 182 LEU L H H < >>TS+ 0 0 -54.3 -41.9 179.2 54.8 108.7 24.8 177 -2.8 186 -2.6 0 0.0 184 -1.3 11 54
182 A 183 SER S H H < >5TS+ 0 0 -60.3 -37.0 -179.2 55.5 102.7 28.9 178 -2.3 185 -1.8 0 0.0 0 0.0 11 40
183 A 184 SER S H H < 35TS+ 0 0 -72.2 -12.1 177.5 51.7 106.2 49.9 179 -1.7 0 0.0 0 0.0 0 0.0 9 30
184 A 185 ARG R T h < <5TS- 0 0 -104.5 17.7 -178.8 -107.5 124.5 83.9 181 -1.3 0 0.0 180 -0.7 0 0.0 6 30
185 A 186 ALA A T T <5TS+ 0 0 60.1 34.8 179.8 131.3 78.8 38.5 182 -1.8 0 0.0 0 0.0 0 0.0 7 29
186 A 187 LYS K t TS+ 0 0 45.4 49.1 -176.6 163.4 76.7 26.3 0 0.0 191 -2.3 0 0.0 0 0.0 12 49
188 A 189 THR T H H > T + 0 0 -71.4 -29.4 177.4 47.0 68.6 36.0 0 0.0 192 -0.7 0 0.0 0 0.0 10 43
189 A 190 ASN N H H > > TS+ 0 0 -77.4 -41.1 177.4 52.3 111.2 24.8 0 0.0 193 -1.4 0 0.0 192 -0.9 11 42
190 A 191 THR T H H > > TS+ 0 0 -57.3 -42.5 179.7 56.5 105.5 20.7 0 0.0 194 -2.5 0 0.0 193 -0.7 12 62
191 A 192 ALA A H H X 3 TS+ 0 0 -60.5 -27.7 178.5 59.0 100.0 36.1 187 -2.3 195 -2.5 0 0.0 0 0.0 11 55
192 A 193 ASP D H H X < TS+ 0 0 -69.0 -37.2 176.4 47.7 105.6 31.7 189 -0.9 196 -1.5 188 -0.7 0 0.0 9 46
193 A 194 ILE I H H X < TS+ 0 0 -65.4 -44.9 179.9 52.3 111.1 19.5 189 -1.4 197 -2.2 190 -0.7 0 0.0 11 56
194 A 195 ILE I H H X TS+ 0 0 -57.2 -40.9 178.5 52.2 106.8 25.0 190 -2.5 198 -2.8 0 0.0 0 0.0 10 67
195 A 196 ARG R H H X TS+ 0 0 -64.5 -33.5 177.4 52.6 107.0 29.9 191 -2.5 199 -2.3 0 0.0 0 0.0 10 53
196 A 197 LEU L H H X TS+ 0 0 -66.8 -38.6 178.7 47.9 111.1 26.1 192 -1.5 200 -1.1 0 0.0 0 0.0 9 49
197 A 198 ILE I H H X > TS+ 0 0 -67.3 -42.4 -180.0 49.6 111.6 20.9 193 -2.2 201 -2.8 0 0.0 200 -0.5 9 67
198 A 199 ILE I H H X 3 TS+ 0 0 -63.3 -38.3 178.8 59.2 103.6 26.4 194 -2.8 202 -2.5 0 0.0 0 0.0 9 60
199 A 200 ARG R H H X 3 TS+ 0 0 -59.4 -31.7 177.3 40.4 113.3 34.8 195 -2.3 203 -0.7 0 0.0 0 0.0 8 44
200 A 201 ASP D H H X X TS+ 0 0 -80.6 -50.3 -178.2 51.0 112.9 22.0 196 -1.1 204 -2.8 197 -0.5 203 -0.5 10 57
201 A 202 GLU E H H X 3 TS+ 0 0 -55.4 -38.6 -179.9 59.5 104.5 30.1 197 -2.8 205 -2.9 0 0.0 0 0.0 10 64
202 A 203 SER S H H X 3 TS+ 0 0 -55.8 -46.5 -179.1 40.3 111.2 25.5 198 -2.5 206 -1.7 0 0.0 0 0.0 10 51
203 A 204 VAL V H H X < TS+ 0 0 -73.3 -39.8 -179.4 55.6 112.3 28.9 199 -0.7 207 -2.8 200 -0.5 0 0.0 10 54
204 A 205 HIS H H H X TS+ 0 0 -60.1 -45.8 -178.3 45.2 110.4 22.0 200 -2.8 208 -2.6 0 0.0 0 0.0 11 69
205 A 206 GLY G H H X TS+ 0 0 -63.4 -43.7 178.7 48.4 114.8 24.8 201 -2.9 209 -2.0 0 0.0 0 0.0 15 60
206 A 207 TYR Y H H X TS+ 0 0 -60.3 -49.1 -177.4 44.5 115.0 20.2 202 -1.7 210 -2.1 0 0.0 0 0.0 10 49
207 A 208 TYR Y H H X TS+ 0 0 -65.6 -50.1 -178.8 43.6 115.4 22.3 203 -2.8 211 -2.2 0 0.0 0 0.0 9 62
208 A 209 ILE I H H X TS+ 0 0 -67.4 -33.0 177.8 51.9 115.0 29.6 204 -2.6 212 -1.9 0 0.0 0 0.0 11 70
209 A 210 GLY G H H X TS+ 0 0 -67.4 -38.2 178.1 52.9 107.2 26.5 205 -2.0 213 -2.3 0 0.0 0 0.0 14 57
210 A 211 TYR Y H H X TS+ 0 0 -61.6 -44.7 178.9 46.8 110.4 23.1 206 -2.1 214 -2.1 0 0.0 0 0.0 11 52
211 A 212 LYS K H H X TS+ 0 0 -67.4 -33.9 178.6 56.1 108.7 33.1 207 -2.2 215 -1.9 0 0.0 0 0.0 9 56
212 A 213 TYR Y H H X TS+ 0 0 -62.7 -45.2 -178.9 48.2 108.1 20.5 208 -1.9 216 -2.9 0 0.0 0 0.0 12 57
213 A 214 GLN Q H H X TS+ 0 0 -62.1 -44.3 178.4 52.7 108.8 22.7 209 -2.3 217 -2.3 0 0.0 0 0.0 10 46
214 A 215 GLN Q H H < TS+ 0 0 -58.1 -40.8 -179.0 43.5 114.5 24.7 210 -2.1 0 0.0 0 0.0 0 0.0 8 39
215 A 216 GLY G H H < > TS+ 0 0 -74.5 -42.5 -178.4 47.4 113.0 23.4 211 -1.9 218 -1.3 0 0.0 0 0.0 9 38
216 A 217 VAL V H H < > TS+ 0 0 -69.1 -30.0 -179.7 64.7 102.4 31.7 212 -2.9 219 -2.1 0 0.0 0 0.0 10 37
217 A 218 LYS K T h < 3 TS+ 0 0 -71.4 -1.9 176.7 68.4 89.9 57.6 213 -2.3 0 0.0 0 0.0 0 0.0 8 28
218 A 219 LYS K T T < TS+ 0 0 -90.8 -2.5 -178.3 81.2 91.4 61.5 215 -1.3 0 0.0 0 0.0 0 0.0 6 23
219 A 220 LEU L S t < TS- 0 0 -100.8 169.7 179.4 -85.8 92.6 120.7 216 -2.1 0 0.0 0 0.0 0 0.0 9 21
220 A 221 SER S h > T - 0 0 -65.3 162.9 179.6 -107.6 41.8 103.0 0 0.0 224 -2.5 0 0.0 0 0.0 7 15
221 A 222 GLU E H H > TS+ 0 0 -59.0 -40.8 179.8 55.1 122.1 23.7 0 0.0 225 -2.1 0 0.0 0 0.0 6 16
222 A 223 ALA A H H > TS+ 0 0 -60.0 -44.0 -179.9 43.6 109.6 26.4 0 0.0 226 -1.2 0 0.0 0 0.0 7 14
223 A 224 GLU E H H > TS+ 0 0 -70.6 -34.4 178.8 57.4 110.4 30.4 0 0.0 227 -1.9 0 0.0 0 0.0 8 23
224 A 225 GLN Q H H X TS+ 0 0 -61.8 -38.0 179.1 50.6 105.5 27.2 220 -2.5 228 -1.7 0 0.0 0 0.0 11 28
225 A 226 GLU E H H X TS+ 0 0 -69.3 -31.8 -179.8 53.6 107.2 34.5 221 -2.1 229 -2.2 0 0.0 0 0.0 8 27
226 A 227 GLU E H H X TS+ 0 0 -70.8 -36.4 178.7 48.4 109.0 29.4 222 -1.2 230 -2.3 0 0.0 0 0.0 8 27
227 A 228 TYR Y H H X TS+ 0 0 -71.3 -33.0 177.8 52.7 109.6 32.7 223 -1.9 231 -2.6 0 0.0 0 0.0 9 40
228 A 229 LYS K H H X TS+ 0 0 -66.5 -43.4 179.2 47.3 110.8 19.5 224 -1.7 232 -2.6 0 0.0 0 0.0 9 44
229 A 230 ALA A H H X TS+ 0 0 -62.1 -41.7 178.3 49.6 112.3 26.0 225 -2.2 233 -2.7 0 0.0 0 0.0 8 28
230 A 231 TYR Y H H X TS+ 0 0 -61.3 -45.1 -178.4 50.7 111.0 21.2 226 -2.3 234 -2.6 0 0.0 0 0.0 8 37
231 A 232 THR T H H X TS+ 0 0 -60.8 -52.0 177.9 41.9 114.0 21.9 227 -2.6 235 -2.2 0 0.0 0 0.0 9 50
232 A 233 PHE F H H X TS+ 0 0 -62.8 -39.5 179.4 54.5 113.1 25.6 228 -2.6 236 -2.7 0 0.0 0 0.0 8 41
233 A 234 ASP D H H X TS+ 0 0 -61.1 -42.9 179.4 47.0 109.4 22.2 229 -2.7 237 -1.8 0 0.0 0 0.0 8 32
234 A 235 LEU L H H X TS+ 0 0 -66.0 -37.6 178.4 53.1 110.6 24.7 230 -2.6 238 -2.6 0 0.0 0 0.0 8 47
235 A 236 MET M H H X TS+ 0 0 -63.7 -42.4 178.4 53.5 105.7 24.0 231 -2.2 239 -2.9 0 0.0 0 0.0 10 55
236 A 237 TYR Y H H X TS+ 0 0 -56.2 -45.6 179.9 45.1 112.6 22.1 232 -2.7 240 -2.3 0 0.0 0 0.0 8 37
237 A 238 ASP D H H X TS+ 0 0 -65.5 -44.0 179.9 44.2 115.7 26.9 233 -1.8 241 -1.9 0 0.0 0 0.0 8 39
238 A 239 LEU L H H X TS+ 0 0 -69.8 -34.9 -179.2 52.2 113.5 28.9 234 -2.6 242 -2.4 0 0.0 0 0.0 10 52
239 A 240 TYR Y H H X TS+ 0 0 -66.4 -46.7 179.1 48.7 109.3 19.6 235 -2.9 243 -2.3 0 0.0 0 0.0 10 52
240 A 241 GLU E H H X TS+ 0 0 -57.4 -46.2 179.9 45.9 114.4 22.6 236 -2.3 244 -1.4 0 0.0 0 0.0 8 34
241 A 242 ASN N H H X TS+ 0 0 -64.9 -38.1 -178.0 51.9 111.9 26.8 237 -1.9 245 -2.0 0 0.0 0 0.0 11 41
242 A 243 GLU E H H X TS+ 0 0 -69.7 -34.1 178.1 59.7 102.0 31.6 238 -2.4 246 -2.9 0 0.0 0 0.0 11 57
243 A 244 ILE I H H X TS+ 0 0 -58.2 -46.8 179.5 43.2 109.9 20.4 239 -2.3 247 -2.7 0 0.0 0 0.0 9 43
244 A 245 GLU E H H X TS+ 0 0 -66.8 -41.5 178.4 50.9 113.0 25.9 240 -1.4 248 -2.2 0 0.0 0 0.0 9 37
245 A 246 TYR Y H H X TS+ 0 0 -59.5 -44.8 -178.4 49.0 112.3 21.0 241 -2.0 249 -1.8 0 0.0 0 0.0 10 55
246 A 247 THR T H H X TS+ 0 0 -63.7 -47.8 178.6 51.9 108.5 23.0 242 -2.9 250 -2.8 0 0.0 0 0.0 13 54
247 A 248 GLU E H H X TS+ 0 0 -57.6 -43.6 -178.2 48.8 110.5 20.8 243 -2.7 251 -2.3 0 0.0 0 0.0 9 37
248 A 249 ASP D H H < TS+ 0 0 -67.7 -32.8 179.4 40.1 117.3 31.5 244 -2.2 0 0.0 0 0.0 0 0.0 8 39
249 A 250 ILE I H H < TS+ 0 0 -80.5 -39.6 -174.4 28.9 127.7 27.4 245 -1.8 0 0.0 0 0.0 0 0.0 10 49
250 A 251 TYR Y H H X >TS+ 0 0 -101.4 -12.0 -175.4 88.8 90.0 54.3 246 -2.8 254 -1.7 0 0.0 255 -1.4 11 44
251 A 252 ASP D T h < 5TS+ 0 0 -56.6 -40.5 -179.3 52.4 90.7 27.0 247 -2.3 0 0.0 0 0.0 0 0.0 10 27
252 A 253 ASP D T T 4 5TS+ 0 0 -59.6 -48.3 178.6 42.8 112.8 27.0 0 0.0 0 0.0 0 0.0 0 0.0 8 26
253 A 254 LEU L T T 4 5TS- 0 0 -70.9 -22.2 -179.2 -127.6 109.3 47.1 0 0.0 0 0.0 0 0.0 0 0.0 8 32
254 A 255 GLY G T T < 5TS+ 0 0 82.0 20.0 -178.0 117.1 76.1 47.9 250 -1.7 0 0.0 0 0.0 0 0.0 7 25
255 A 256 TRP W h > > 3 TS+ 0 0 -49.1 -50.4 -177.8 50.7 71.6 31.6 0 0.0 260 -2.6 0 0.0 0 0.0 11 38
257 A 258 GLU E H H > 3 TS+ 0 0 -60.0 -40.3 179.1 47.1 112.6 25.8 0 0.0 261 -1.8 0 0.0 0 0.0 7 33
258 A 259 ASP D H H > < TS+ 0 0 -68.3 -38.0 176.3 51.5 110.7 28.7 255 -0.5 262 -1.8 0 0.0 0 0.0 8 43
259 A 260 VAL V H H X TS+ 0 0 -64.5 -37.4 179.0 54.3 107.6 23.9 255 -2.1 263 -2.4 0 0.0 0 0.0 11 54
260 A 261 LYS K H H X TS+ 0 0 -63.0 -40.9 176.2 50.3 106.7 24.9 256 -2.6 264 -2.1 0 0.0 0 0.0 11 50
261 A 262 ARG R H H X TS+ 0 0 -59.3 -40.0 -179.5 51.1 110.1 24.8 257 -1.8 265 -2.0 0 0.0 0 0.0 12 46
262 A 263 PHE F H H X TS+ 0 0 -65.9 -37.7 177.3 55.5 106.0 29.0 258 -1.8 266 -2.4 0 0.0 0 0.0 14 54
263 A 264 LEU L H H X TS+ 0 0 -59.6 -43.3 -178.7 46.1 109.4 20.6 259 -2.4 267 -2.3 0 0.0 0 0.0 13 59
264 A 265 ARG R H H X TS+ 0 0 -68.2 -34.5 178.9 55.4 109.3 29.9 260 -2.1 268 -1.9 0 0.0 0 0.0 12 50
265 A 266 TYR Y H H X TS+ 0 0 -62.2 -45.9 -178.8 40.4 114.1 20.2 261 -2.0 269 -1.6 0 0.0 0 0.0 14 49
266 A 267 ASN N H H X TS+ 0 0 -75.1 -31.3 177.8 60.3 107.4 33.5 262 -2.4 270 -2.8 0 0.0 0 0.0 11 59
267 A 268 ALA A H H X TS+ 0 0 -60.9 -41.7 178.6 48.4 107.7 20.8 263 -2.3 271 -2.2 0 0.0 0 0.0 16 61
268 A 269 ASN N H H X TS+ 0 0 -64.1 -41.9 179.2 50.3 110.7 23.0 264 -1.9 272 -2.6 0 0.0 0 0.0 12 51
269 A 270 LYS K H H X TS+ 0 0 -62.1 -42.9 179.3 49.4 110.3 24.2 265 -1.6 273 -2.5 0 0.0 0 0.0 11 55
270 A 271 ALA A H H X TS+ 0 0 -62.9 -43.1 178.0 46.9 112.4 25.5 266 -2.8 274 -1.0 0 0.0 0 0.0 14 56
271 A 272 LEU L H H < >>TS+ 0 0 -65.3 -42.8 178.5 53.9 110.6 22.4 267 -2.2 276 -2.4 0 0.0 274 -0.7 13 56
272 A 273 ASN N H H < >5TS+ 0 0 -58.1 -42.5 179.2 55.2 103.7 22.9 268 -2.6 275 -2.0 0 0.0 0 0.0 10 44
273 A 274 ASN N H H < 35TS+ 0 0 -61.6 -26.1 178.5 52.4 106.4 36.6 269 -2.5 0 0.0 0 0.0 0 0.0 12 46
274 A 275 LEU L T h < <5TS- 0 0 -87.5 0.5 177.4 -101.7 127.0 65.7 270 -1.0 0 0.0 271 -0.7 0 0.0 12 55
275 A 276 GLY G T T <5TS+ 0 0 94.1 10.7 -178.1 118.9 82.9 57.0 272 -2.0 0 0.0 0 0.0 0 0.0 9 42
276 A 277 TYR Y t T - 0 0 -60.3 144.7 179.6 -115.5 34.4 108.5 0 0.0 284 -2.2 0 0.0 0 0.0 7 23
282 A 283 THR T G G > TS+ 0 0 -49.5 -41.5 -179.8 61.6 113.9 30.6 0 0.0 285 -2.1 0 0.0 0 0.0 7 23
283 A 284 ASP D G G 3 TS+ 0 0 -63.9 -14.0 178.8 57.0 98.8 51.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21
284 A 285 GLU E G G < TS+ 0 0 -97.1 8.5 -176.2 61.3 100.7 73.7 281 -2.2 0 0.0 0 0.0 0 0.0 9 24
285 A 286 THR T g < T + 0 0 -124.2 27.3 -177.0 155.1 66.5 87.1 282 -2.1 0 0.0 0 0.0 0 0.0 12 33
286 A 287 LYS K - 0 0 -63.5 132.6 178.8 -174.2 17.8 108.0 0 0.0 0 0.0 0 0.0 0 0.0 9 31
287 A 288 VAL V - 0 0 -128.0 136.2 179.1 -102.4 32.9 173.2 0 0.0 0 0.0 0 0.0 0 0.0 10 39
288 A 289 SER S h > > T - 0 0 -54.7 137.3 179.2 -131.2 23.5 105.7 0 0.0 292 -2.6 0 0.0 291 -1.4 6 36
289 A 290 PRO P H H > 3 TS+ 0 0 -61.7 -29.1 -180.0 62.0 108.0 34.0 0 0.0 293 -2.0 0 0.0 0 0.0 6 23
290 A 291 ALA A H H 4 3 TS+ 0 0 -69.3 -21.8 175.8 39.0 110.5 44.8 0 0.0 0 0.0 0 0.0 0 0.0 8 28
291 A 292 ILE I H H > < TS+ 0 0 -88.7 -45.9 -179.3 56.9 112.4 33.3 288 -1.4 295 -1.9 0 0.0 0 0.0 12 41
292 A 293 LEU L H H X TS+ 0 0 -56.2 -33.7 179.8 56.7 101.9 37.2 288 -2.6 296 -3.4 0 0.0 0 0.0 9 36
293 A 294 SER S H H < TS+ 0 0 -70.3 -38.9 179.2 40.8 110.9 26.0 289 -2.0 0 0.0 0 0.0 0 0.0 7 28
294 A 295 SER S H H 4 TS+ 0 0 -77.9 -20.6 179.0 54.5 115.6 40.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37
295 A 296 LEU L H H < T 0 0 -69.1 -60.2 -179.9 999.9 999.9 5.7 291 -1.9 0 0.0 0 0.0 0 0.0 8 46
296 A 297 SER S h < T 0 0 23.3 999.9 999.9 999.9 999.9 41.4 292 -3.4 0 0.0 0 0.0 0 0.0 4 34
1kgnA.pdb
1KGN METAL BINDING PROTEIN MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand TTHHHHHH S TT S HHHHHHHHHHHHT GGGS GGGGHHHHHHS HHHHHHHHHHHHHHHHHHHHHHHTHHHHHGGG SSHHHHHHH Kabs/Sand
chirality +++++++++++-------+++-+-++++++++++++++--+++-+++++++++++--++++++++++++++++++++++++++++++++-+-+++++++ chirality
bends SSSSSSSS S SS S SSSSSSSSSSSSS SSSS SSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTT TTTT TTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTT turns
5-turns >>555<< 5-turns
3-turns >33< >33< >33< >33< >33< >>3<<>>><<< >33< >>3XX3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >4>>X><<<< >>>>XXXXXX<<<< >>>><<<<>>>>XXXXXXXXXXXXXXXXX<<>4<<< >>>>XXXX 4-turns
summary tThHHHHHHh S tTTt ShHHHHHHHHHHHHht gGGGggGGGhHHHHHHhhHHHHHHHHHHHHHHHHHHHHHHHhHHHHHhGGgShHHHHHHH summary
sequence SNEYDEYIANHTDPVKAINWNVIPDEKDLEVWDRLTGNFWLPEKIPVSNDIQSWNKMTPQEQLATMRVFTGLTLLDTIQGTVGAISLLPDAETMHEEAVY sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHHHHHHHHHHHHHS HHHHHHHHHHHHH HHHHHHHHHHHHHHTSS HHHHHHHHHHHHHTTTHHHHHHHHHHHHTT SHHHHHHHHHHHHH Kabs/Sand
chirality +++++++++++++++++++++--+++++++++++++-+++++++++++++++-+-++++++++++++++++++++++++++++-+-++++++++++++++ chirality
bends SSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSS SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSS S SSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >>555<< >5555< 5-turns
3-turns >33< >33< >33X33< >>><>3<< >>3<< >33X 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXXXXXXXXXX<<<<>>>>XXXXXXX<<>>XXXXXXXX<<<< >>>>XXXXXXX<<><4XX>>XX<<<< >>>>XXXXXXXXXX 4-turns
summary HHHHHHHHHHHHHHHHHHHHHhhHHHHHHHHHHHHHhHHHHHHHHHHHHHHhtShHHHHHHHHHHHHHhThHHHHHHHHHHHHhTthHHHHHHHHHHHHH summary
sequence TNIAFMESVHAKSYSNIFMTLASTPQINEAFRWSEENENLQRKAKIIMSYYNGDDPLKKKVASTLLESFLFYSGFYLPMYLSSRAKLTNTADIIRLIIRD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHHHHHHTTS HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHTTTT HHHHHHHHHHHHHHHHHHTT SS GGG HHHHHHH Kabs/Sand
chirality ++++++++++++++++++--++++++++++++++++++++++++++++++++-++++++++++++++++++++-+---+--++++---++++++ chirality
bends SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSS SS SSS SSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTT TTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns 33< >>3<< >33< >>3<< >>3<< >33< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXXXXX<>>>XXXXXXXXXXXX<<<< >>4>X<4<< 4-turns
summary HHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHhTTThHHHHHHHHHHHHHHHHHHhTt SSgGGGg hHHHHHHHh summary
sequence ESVHGYYIGYKYQQGVKKLSEAEQEEYKAYTFDLMYDLYENEIEYTEDIYDDLGWTEDVKRFLRYNANKALNNLGYEGLFPTDETKVSPAILSSLS sequence
210 220 230 240 250 260 270 280 290