Secondary structure calculation program - copyright by David Keith Smith, 1989
1qqeA.pdb
1QQE PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
Sequence length - 281
A A K K hydrogen bonding Ooi's
strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N
num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14
1 A 1 ILE I 0 0 999.9 128.0 -178.8 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22
2 A 2 SER S + 0 0 -117.0 6.7 -179.2 97.4 999.9 66.9 0 0.0 0 0.0 0 0.0 0 0.0 5 23
3 A 3 ASP D h > > T - 0 0 -99.1 112.1 -180.0 -156.3 56.4 145.9 0 0.0 7 -3.1 0 0.0 6 -0.8 7 26
4 A 4 PRO P H H > 3 TS+ 0 0 -48.2 -43.5 -179.2 57.1 96.4 24.4 0 0.0 8 -3.5 0 0.0 0 0.0 12 38
5 A 5 VAL V H H > 3 TS+ 0 0 -53.3 -43.6 179.5 40.5 111.8 31.1 0 0.0 9 -1.6 0 0.0 0 0.0 7 32
6 A 6 GLU E H H > < TS+ 0 0 -71.1 -48.7 179.7 55.0 112.5 23.4 3 -0.8 10 -3.3 0 0.0 0 0.0 9 27
7 A 7 LEU L H H X TS+ 0 0 -50.6 -48.2 -179.5 42.2 113.8 21.6 3 -3.1 11 -2.7 0 0.0 0 0.0 14 37
8 A 8 LEU L H H X TS+ 0 0 -68.1 -35.5 179.9 57.8 109.9 31.5 4 -3.5 12 -1.3 0 0.0 0 0.0 12 43
9 A 9 LYS K H H X > TS+ 0 0 -59.9 -48.3 179.1 39.3 113.3 19.8 5 -1.6 13 -1.7 0 0.0 12 -0.5 8 32
10 A 10 ARG R H H X 3 TS+ 0 0 -67.6 -41.2 -180.0 67.8 105.3 26.0 6 -3.3 14 -2.2 0 0.0 0 0.0 10 32
11 A 11 ALA A H H X 3 TS+ 0 0 -48.3 -33.7 -179.5 43.3 105.6 35.2 7 -2.7 15 -1.7 0 0.0 0 0.0 13 44
12 A 12 GLU E H H < < TS+ 0 0 -80.9 -50.1 -179.1 54.0 108.2 18.7 8 -1.3 0 0.0 9 -0.5 0 0.0 9 39
13 A 13 LYS K H H < TS+ 0 0 -55.0 -25.1 -178.3 39.3 118.4 37.3 9 -1.7 0 0.0 0 0.0 0 0.0 7 29
14 A 14 LYS K H H < TS+ 0 0 -92.7 -48.0 -179.6 75.9 93.6 23.6 10 -2.2 16 -3.8 0 0.0 0 0.0 10 37
15 A 15 GLY G S h < TS+ 0 0 -65.4 64.7 -179.7 112.2 76.3 106.2 11 -1.7 0 0.0 0 0.0 0 0.0 13 42
16 A 16 VAL V S S S- 0 0 -142.8 129.7 179.8 -105.9 77.1 171.6 14 -3.8 0 0.0 0 0.0 0 0.0 9 37
17 A 17 PRO P - 0 0 -56.2 124.5 -178.7 -136.0 42.1 108.8 0 0.0 0 0.0 0 0.0 0 0.0 5 33
18 A 18 SER S + 0 0 -86.9 151.4 -179.6 175.3 27.2 122.5 0 0.0 0 0.0 0 0.0 0 0.0 7 26
19 A 19 SER S t > T + 0 0 -150.5 164.9 179.9 16.9 39.6 165.2 0 0.0 22 -1.1 0 0.0 0 0.0 7 18
20 A 20 GLY G T h > 3 TS- 0 0 73.0 -145.4 -179.7 -12.1 125.7 117.1 0 0.0 24 -2.0 0 0.0 0 0.0 6 13
21 A 21 PHE F H H > 3 TS+ 0 0 -59.6 -28.8 -179.7 57.2 139.7 37.8 0 0.0 25 -3.6 0 0.0 0 0.0 6 12
22 A 22 MET M H H > < TS+ 0 0 -66.2 -58.0 179.8 48.0 104.6 9.5 19 -1.1 26 -3.2 0 0.0 0 0.0 8 18
23 A 23 LYS K H H 4 TS+ 0 0 -48.6 -41.2 -179.4 44.7 118.4 28.0 0 0.0 0 0.0 0 0.0 0 0.0 11 19
24 A 24 LEU L H H < TS+ 0 0 -69.9 -52.5 -178.0 37.8 119.4 17.1 20 -2.0 0 0.0 0 0.0 0 0.0 8 14
25 A 25 PHE F H H < TS+ 0 0 -67.2 -49.4 -177.9 67.6 108.0 19.4 21 -3.6 0 0.0 0 0.0 0 0.0 6 14
26 A 26 SER S S h < TS- 0 0 -83.0 126.6 178.2 -110.5 88.7 127.7 22 -3.2 0 0.0 0 0.0 0 0.0 6 20
27 A 27 GLY G - 0 0 -43.6 163.0 -176.9 -38.2 65.6 83.7 0 0.0 0 0.0 0 0.0 0 0.0 7 22
28 A 28 SER S - 0 0 -26.1 156.9 180.0 -123.6 49.8 63.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25
29 A 29 ASP D S h > > TS+ 0 0 -72.4 -53.3 -179.8 59.0 105.4 23.1 0 0.0 32 -2.2 0 0.0 33 -2.0 11 33
30 A 30 SER S H H > 3 TS+ 0 0 -49.2 -35.1 178.4 61.7 99.9 31.4 0 0.0 34 -2.8 0 0.0 0 0.0 9 34
31 A 31 TYR Y H H > 3 TS+ 0 0 -59.1 -33.2 -179.1 46.2 106.9 30.9 0 0.0 35 -1.6 0 0.0 0 0.0 9 32
32 A 32 LYS K H H > < TS+ 0 0 -74.6 -51.9 179.4 49.0 110.5 18.8 29 -2.2 36 -2.2 0 0.0 0 0.0 12 40
33 A 33 PHE F H H X TS+ 0 0 -56.2 -40.0 178.4 51.0 111.6 28.0 29 -2.0 37 -3.6 0 0.0 0 0.0 15 45
34 A 34 GLU E H H X TS+ 0 0 -60.7 -46.6 179.5 52.5 108.3 17.0 30 -2.8 38 -3.6 0 0.0 0 0.0 12 44
35 A 35 GLU E H H X TS+ 0 0 -55.2 -36.6 179.0 46.6 111.6 32.9 31 -1.6 39 -0.8 0 0.0 0 0.0 11 44
36 A 36 ALA A H H X > TS+ 0 0 -71.1 -50.3 178.7 50.0 112.1 17.8 32 -2.2 40 -2.2 0 0.0 39 -0.7 15 49
37 A 37 ALA A H H X 3 TS+ 0 0 -49.0 -61.3 -179.9 52.5 108.0 14.3 33 -3.6 41 -2.6 0 0.0 0 0.0 16 56
38 A 38 ASP D H H X 3 TS+ 0 0 -47.8 -29.5 179.9 53.5 108.9 37.7 34 -3.6 42 -1.4 0 0.0 0 0.0 9 50
39 A 39 LEU L H H X < TS+ 0 0 -74.3 -48.2 -179.4 45.3 108.4 18.0 35 -0.8 43 -1.8 36 -0.7 0 0.0 13 49
40 A 40 CYS C H H X TS+ 0 0 -60.1 -44.1 179.3 53.9 111.9 21.6 36 -2.2 44 -4.3 0 0.0 0 0.0 16 57
41 A 41 VAL V H H X TS+ 0 0 -56.1 -40.2 179.6 52.0 106.3 28.5 37 -2.6 45 -2.7 0 0.0 0 0.0 11 59
42 A 42 GLN Q H H X TS+ 0 0 -65.4 -35.4 179.3 43.1 115.0 28.8 38 -1.4 46 -1.5 0 0.0 0 0.0 10 46
43 A 43 ALA A H H X TS+ 0 0 -74.7 -46.6 -179.7 54.1 110.5 21.2 39 -1.8 47 -3.0 0 0.0 0 0.0 15 46
44 A 44 ALA A H H X TS+ 0 0 -52.8 -43.7 -179.9 50.3 109.8 24.6 40 -4.3 48 -2.9 0 0.0 0 0.0 15 51
45 A 45 THR T H H X TS+ 0 0 -63.9 -42.2 178.5 48.6 108.8 28.9 41 -2.7 49 -3.0 0 0.0 0 0.0 9 44
46 A 46 ILE I H H X TS+ 0 0 -63.5 -43.2 -179.8 48.0 114.8 21.0 42 -1.5 50 -2.5 0 0.0 0 0.0 10 34
47 A 47 TYR Y H H < >TS+ 0 0 -62.6 -43.3 -179.5 50.1 110.7 23.6 43 -3.0 52 -2.5 0 0.0 0 0.0 13 39
48 A 48 ARG R H H < >5TS+ 0 0 -60.4 -49.2 178.9 50.6 110.0 17.5 44 -2.9 51 -2.0 0 0.0 0 0.0 12 37
49 A 49 LEU L H H < 35TS+ 0 0 -52.3 -47.3 -179.5 50.5 110.1 21.6 45 -3.0 0 0.0 0 0.0 0 0.0 7 28
50 A 50 ARG R T h < 35TS- 0 0 -70.8 -3.6 179.9 -119.9 114.3 60.5 46 -2.5 0 0.0 0 0.0 0 0.0 7 25
51 A 51 LYS K T T <5TS+ 0 0 67.7 34.2 179.4 131.1 74.8 32.7 48 -2.0 0 0.0 0 0.0 0 0.0 6 26
52 A 52 GLU E t > > T + 0 0 18.4 -66.7 179.5 58.2 65.6 80.2 0 0.0 57 -4.0 0 0.0 56 -0.6 13 41
54 A 54 ASN N H H > 3 TS+ 0 0 -53.1 -30.0 178.6 47.1 110.6 32.3 0 0.0 58 -2.2 0 0.0 0 0.0 10 42
55 A 55 LEU L H H > < TS+ 0 0 -79.3 -28.6 178.3 48.6 112.8 38.1 52 -2.6 59 -1.2 0 0.0 0 0.0 10 47
56 A 56 ALA A H H > < TS+ 0 0 -74.8 -43.1 179.5 45.2 114.4 25.5 53 -0.6 60 -3.0 0 0.0 0 0.0 16 49
57 A 57 GLY G H H X TS+ 0 0 -65.1 -45.3 179.7 47.8 114.7 19.2 53 -4.0 61 -2.4 0 0.0 0 0.0 15 56
58 A 58 ASP D H H X TS+ 0 0 -64.3 -28.4 179.5 51.7 112.2 35.2 54 -2.2 62 -1.4 0 0.0 0 0.0 10 57
59 A 59 SER S H H X TS+ 0 0 -71.7 -50.3 -180.0 48.9 108.6 17.3 55 -1.2 63 -2.3 0 0.0 0 0.0 14 57
60 A 60 PHE F H H X TS+ 0 0 -57.0 -40.2 179.7 60.6 104.1 29.1 56 -3.0 64 -4.0 0 0.0 0 0.0 15 63
61 A 61 LEU L H H X TS+ 0 0 -52.0 -54.3 179.4 45.3 107.8 14.3 57 -2.4 65 -2.9 0 0.0 0 0.0 12 61
62 A 62 LYS K H H X TS+ 0 0 -50.4 -61.6 -180.0 47.8 114.4 15.6 58 -1.4 66 -2.4 0 0.0 0 0.0 10 63
63 A 63 ALA A H H X TS+ 0 0 -44.6 -54.3 179.8 52.1 111.1 26.1 59 -2.3 67 -3.3 0 0.0 0 0.0 16 64
64 A 64 ALA A H H X TS+ 0 0 -49.9 -57.1 -179.9 46.2 110.6 19.8 60 -4.0 68 -1.7 0 0.0 0 0.0 14 61
65 A 65 ASP D H H X TS+ 0 0 -59.3 -32.4 178.4 51.8 111.8 33.3 61 -2.9 69 -1.7 0 0.0 0 0.0 10 54
66 A 66 TYR Y H H X TS+ 0 0 -66.0 -47.5 -179.7 55.4 106.9 13.9 62 -2.4 70 -1.5 0 0.0 0 0.0 13 51
67 A 67 GLN Q H H < >TS+ 0 0 -54.6 -32.8 179.0 46.6 108.5 38.9 63 -3.3 72 -1.3 0 0.0 0 0.0 15 47
68 A 68 LYS K H H < 5TS+ 0 0 -84.1 -25.1 177.7 56.1 106.4 34.6 64 -1.7 0 0.0 0 0.0 0 0.0 10 44
69 A 69 LYS K H H < 5TS+ 0 0 -70.5 -20.4 179.3 49.2 110.0 39.1 65 -1.7 0 0.0 0 0.0 0 0.0 9 39
70 A 70 ALA A T h < 5TS- 0 0 -88.7 -14.8 179.5 -115.6 121.4 53.6 66 -1.5 0 0.0 0 0.0 0 0.0 12 37
71 A 71 GLY G T T 5TS+ 0 0 78.1 60.0 177.3 130.4 73.2 11.7 0 0.0 0 0.0 0 0.0 0 0.0 7 33
72 A 72 ASN N h > TS+ 0 0 -52.5 -45.6 -179.2 45.2 76.0 27.0 0 0.0 77 -1.8 0 0.0 0 0.0 9 36
74 A 74 ASP D H H > TS+ 0 0 -65.0 -58.2 179.4 50.8 110.4 5.2 0 0.0 78 -2.7 0 0.0 0 0.0 9 36
75 A 75 GLU E H H > TS+ 0 0 -45.0 -34.3 179.8 55.5 112.9 31.0 0 0.0 79 -1.4 0 0.0 0 0.0 9 40
76 A 76 ALA A H H X > TS+ 0 0 -63.1 -82.9 179.3 39.3 107.5 11.1 72 -2.3 79 -2.9 0 0.0 80 -1.8 14 50
77 A 77 GLY G H H X 3 TS+ 0 0 -35.5 -42.0 178.4 60.0 112.6 35.4 73 -1.8 81 -2.5 0 0.0 0 0.0 14 52
78 A 78 ASN N H H X 3 TS+ 0 0 -53.7 -42.3 178.7 45.3 108.1 23.5 74 -2.7 82 -1.2 0 0.0 0 0.0 9 48
79 A 79 THR T H H X < TS+ 0 0 -68.8 -38.0 178.1 59.1 105.9 31.5 76 -2.9 83 -2.2 75 -1.4 0 0.0 12 56
80 A 80 TYR Y H H X TS+ 0 0 -59.0 -38.5 179.4 53.2 103.1 25.8 76 -1.8 84 -2.8 0 0.0 0 0.0 15 60
81 A 81 VAL V H H X TS+ 0 0 -62.0 -38.7 179.6 51.7 107.5 25.5 77 -2.5 85 -3.1 0 0.0 0 0.0 11 59
82 A 82 GLU E H H X TS+ 0 0 -64.4 -37.3 179.8 47.2 110.6 30.4 78 -1.2 86 -1.5 0 0.0 0 0.0 10 55
83 A 83 ALA A H H X TS+ 0 0 -71.2 -39.6 179.9 50.8 112.2 26.1 79 -2.2 87 -2.7 0 0.0 0 0.0 16 59
84 A 84 TYR Y H H X TS+ 0 0 -62.1 -45.8 -179.9 56.3 105.0 21.9 80 -2.8 88 -2.8 0 0.0 0 0.0 15 58
85 A 85 LYS K H H X TS+ 0 0 -52.9 -41.9 -179.5 42.4 113.0 26.8 81 -3.1 89 -2.6 0 0.0 0 0.0 10 51
86 A 86 CYS C H H X TS+ 0 0 -69.2 -60.5 -179.6 48.2 113.2 9.8 82 -1.5 90 -1.9 0 0.0 0 0.0 14 47
87 A 87 PHE F H H < >TS+ 0 0 -51.0 -32.1 178.9 47.2 117.0 34.9 83 -2.7 92 -2.3 0 0.0 0 0.0 15 46
88 A 88 LYS K H H < >5TS+ 0 0 -71.5 -67.6 178.7 46.4 111.3 7.7 84 -2.8 91 -4.4 0 0.0 0 0.0 11 43
89 A 89 SER S H H < 35TS+ 0 0 -45.8 -17.8 -179.6 55.3 113.2 47.8 85 -2.6 0 0.0 0 0.0 0 0.0 8 36
90 A 90 GLY G T h < 35TS- 0 0 -101.8 8.0 178.5 -120.4 113.2 73.0 86 -1.9 0 0.0 0 0.0 0 0.0 8 35
91 A 91 GLY G T T <5T + 0 0 65.4 12.5 179.1 136.1 69.6 52.8 88 -4.4 93 -1.7 0 0.0 0 0.0 6 30
92 A 92 ASN N h > T + 0 0 -54.8 -40.5 -179.7 57.4 69.5 30.0 91 -1.7 97 -2.0 0 0.0 0 0.0 11 36
94 A 94 VAL V H H > TS+ 0 0 -58.1 -51.3 -179.5 36.8 114.1 17.6 0 0.0 98 -1.7 0 0.0 0 0.0 7 38
95 A 95 ASN N H H > TS+ 0 0 -70.7 -31.4 179.3 57.6 113.1 32.9 0 0.0 99 -2.6 0 0.0 0 0.0 10 39
96 A 96 ALA A H H X TS+ 0 0 -65.7 -30.0 179.4 52.5 106.2 33.4 92 -2.5 100 -1.8 0 0.0 0 0.0 14 50
97 A 97 VAL V H H X TS+ 0 0 -70.0 -44.2 179.3 47.1 110.0 23.9 93 -2.0 101 -2.3 0 0.0 0 0.0 12 49
98 A 98 ASP D H H X TS+ 0 0 -58.8 -65.1 -179.7 54.6 108.4 4.5 94 -1.7 102 -1.4 0 0.0 0 0.0 9 49
99 A 99 SER S H H X > TS+ 0 0 -35.0 -56.7 -179.2 43.9 111.6 32.2 95 -2.6 103 -1.9 0 0.0 102 -1.0 13 53
100 A 100 LEU L H H X 3 TS+ 0 0 -58.7 -48.7 -178.3 63.3 104.7 18.2 96 -1.8 104 -3.1 0 0.0 0 0.0 13 54
101 A 101 GLU E H H X 3 TS+ 0 0 -47.7 -29.0 178.8 44.3 107.6 40.8 97 -2.3 105 -1.9 0 0.0 0 0.0 9 53
102 A 102 ASN N H H X < TS+ 0 0 -80.8 -51.5 179.5 53.8 108.5 22.5 98 -1.4 106 -3.1 99 -1.0 0 0.0 10 54
103 A 103 ALA A H H X TS+ 0 0 -46.1 -50.2 179.2 44.7 114.9 18.9 99 -1.9 107 -3.7 0 0.0 0 0.0 14 54
104 A 104 ILE I H H X TS+ 0 0 -60.3 -52.7 178.4 56.5 106.7 18.3 100 -3.1 108 -3.1 0 0.0 0 0.0 12 48
105 A 105 GLN Q H H X TS+ 0 0 -44.5 -44.7 -180.0 38.0 118.2 24.1 101 -1.9 109 -2.1 0 0.0 0 0.0 8 41
106 A 106 ILE I H H X TS+ 0 0 -70.7 -64.6 179.8 51.2 112.8 8.1 102 -3.1 110 -2.9 0 0.0 0 0.0 11 40
107 A 107 PHE F H H < >TS+ 0 0 -42.6 -34.9 -179.3 47.4 116.5 37.1 103 -3.7 112 -1.7 0 0.0 0 0.0 14 38
108 A 108 THR T H H < >5TS+ 0 0 -74.3 -56.4 -179.1 42.5 112.9 15.9 104 -3.1 111 -2.2 0 0.0 0 0.0 10 37
109 A 109 HIS H H H < 35TS+ 0 0 -63.6 -22.2 -179.4 57.0 112.8 41.2 105 -2.1 0 0.0 0 0.0 0 0.0 7 27
110 A 110 ARG R T h < 35TS- 0 0 -89.6 4.1 179.6 -116.3 117.3 69.5 106 -2.9 0 0.0 0 0.0 0 0.0 7 25
111 A 111 GLY G T T <5TS+ 0 0 76.7 -1.2 179.2 134.1 73.2 62.3 108 -2.2 113 -2.1 0 0.0 0 0.0 6 26
112 A 112 GLN Q h > T + 0 0 -64.6 -39.3 -179.7 58.1 63.4 30.3 111 -2.1 117 -2.8 0 0.0 0 0.0 9 37
114 A 114 ARG R H H > TS+ 0 0 -57.1 -46.2 179.7 38.8 114.8 18.6 0 0.0 118 -1.9 0 0.0 0 0.0 9 38
115 A 115 ARG R H H > TS+ 0 0 -72.2 -30.4 178.3 57.7 113.5 38.0 0 0.0 119 -1.5 0 0.0 0 0.0 8 42
116 A 116 GLY G H H X > TS+ 0 0 -60.0 -69.4 179.0 47.4 106.2 5.3 112 -1.8 120 -2.6 0 0.0 119 -1.9 13 48
117 A 117 ALA A H H X 3 TS+ 0 0 -34.6 -54.2 -179.0 62.6 104.1 33.0 113 -2.8 121 -3.0 0 0.0 0 0.0 13 54
118 A 118 ASN N H H X 3 TS+ 0 0 -43.3 -46.0 179.8 31.9 115.4 31.4 114 -1.9 122 -1.4 0 0.0 0 0.0 9 52
119 A 119 PHE F H H X < TS+ 0 0 -85.7 -26.9 178.0 66.5 108.7 40.5 116 -1.9 123 -3.3 115 -1.5 0 0.0 10 55
120 A 120 LYS K H H X TS+ 0 0 -56.5 -42.1 180.0 48.8 105.5 18.6 116 -2.6 124 -2.7 0 0.0 0 0.0 13 56
121 A 121 PHE F H H X TS+ 0 0 -60.9 -57.5 179.5 47.6 109.5 15.2 117 -3.0 125 -3.1 0 0.0 0 0.0 12 54
122 A 122 GLU E H H X TS+ 0 0 -50.4 -47.6 179.4 53.5 111.6 20.6 118 -1.4 126 -2.7 0 0.0 0 0.0 8 58
123 A 123 LEU L H H X TS+ 0 0 -52.0 -53.4 -179.6 46.5 109.7 17.8 119 -3.3 127 -3.3 0 0.0 0 0.0 13 58
124 A 124 GLY G H H X TS+ 0 0 -54.4 -45.3 -178.6 55.2 110.4 20.6 120 -2.7 128 -3.2 0 0.0 0 0.0 14 53
125 A 125 GLU E H H X TS+ 0 0 -54.8 -48.7 179.2 39.7 112.7 25.5 121 -3.1 129 -3.5 0 0.0 0 0.0 10 47
126 A 126 ILE I H H X TS+ 0 0 -67.3 -47.7 178.8 54.8 113.9 19.3 122 -2.7 130 -2.8 0 0.0 132 -0.6 13 46
127 A 127 LEU L H H < >TS+ 0 0 -50.1 -41.6 -177.7 37.0 118.4 24.7 123 -3.3 133 -2.1 0 0.0 132 -0.9 14 43
128 A 128 GLU E H H < 5TS+ 0 0 -77.3 -52.9 -177.6 36.1 123.6 19.0 124 -3.2 0 0.0 0 0.0 0 0.0 11 37
129 A 129 ASN N H H < 5TS+ 0 0 -75.9 -27.7 -178.8 18.9 130.9 43.3 125 -3.5 0 0.0 0 0.0 0 0.0 7 31
130 A 130 ASP D T h < 5TS+ 0 0 -108.9 -86.5 -178.7 30.1 128.7 44.2 126 -2.8 0 0.0 0 0.0 0 0.0 8 29
131 A 131 LEU L T T 5TS- 0 0 -47.7 -29.1 -179.0 -140.7 91.4 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 27
132 A 132 HIS H t > T + 0 0 -105.0 70.8 -178.2 170.4 13.4 128.8 127 -2.1 137 -2.4 0 0.0 136 -1.9 8 28
134 A 134 TYR Y H H > 3 TS+ 0 0 -52.7 -32.5 -179.7 62.5 72.1 37.1 132 -0.8 138 -2.3 0 0.0 0 0.0 10 36
135 A 135 ALA A H H > 3 TS+ 0 0 -65.3 -27.6 -178.5 33.4 114.3 35.4 0 0.0 139 -0.6 0 0.0 0 0.0 6 31
136 A 136 LYS K H H > < TS+ 0 0 -98.8 -25.9 178.2 60.5 112.2 46.2 133 -1.9 140 -1.5 0 0.0 0 0.0 9 36
137 A 137 ALA A H H X TS+ 0 0 -66.4 -41.6 179.4 52.2 104.5 23.2 133 -2.4 141 -2.7 0 0.0 0 0.0 15 46
138 A 138 ILE I H H X TS+ 0 0 -60.1 -42.4 -179.7 57.8 103.4 23.9 134 -2.3 142 -1.1 0 0.0 0 0.0 13 47
139 A 139 ASP D H H X TS+ 0 0 -56.9 -40.1 179.4 40.1 112.2 29.1 135 -0.6 143 -2.3 0 0.0 0 0.0 9 43
140 A 140 CYS C H H X TS+ 0 0 -72.6 -55.8 -179.7 57.5 109.0 14.7 136 -1.5 144 -3.3 0 0.0 0 0.0 12 55
141 A 141 TYR Y H H X TS+ 0 0 -48.1 -17.8 -179.2 43.0 115.2 45.6 137 -2.7 145 -0.7 0 0.0 0 0.0 15 51
142 A 142 GLU E H H X TS+ 0 0 -93.0 -59.3 179.5 43.6 114.1 25.3 138 -1.1 146 -2.6 0 0.0 0 0.0 11 51
143 A 143 LEU L H H X TS+ 0 0 -58.1 -24.4 -179.9 51.8 117.2 40.7 139 -2.3 147 -1.4 0 0.0 0 0.0 10 47
144 A 144 ALA A H H X TS+ 0 0 -79.9 -46.5 179.1 45.1 109.8 22.4 140 -3.3 148 -2.0 0 0.0 0 0.0 15 52
145 A 145 GLY G H H X TS+ 0 0 -64.6 -29.6 179.6 60.0 109.8 34.9 141 -0.7 149 -1.0 0 0.0 0 0.0 15 48
146 A 146 GLU E H H X > TS+ 0 0 -64.6 -46.8 179.3 47.1 104.0 20.7 142 -2.6 150 -1.3 0 0.0 149 -0.6 9 43
147 A 147 TRP W H H X 3 TS+ 0 0 -60.7 -50.8 179.1 59.1 105.5 14.2 143 -1.4 151 -2.3 0 0.0 0 0.0 12 38
148 A 148 TYR Y H H < 3>TS+ 0 0 -47.1 -30.0 179.6 59.9 100.9 36.7 144 -2.0 153 -1.8 0 0.0 0 0.0 14 39
149 A 149 ALA A H H < X5TS+ 0 0 -64.0 -57.5 179.5 43.1 105.7 10.6 145 -1.0 152 -2.4 146 -0.6 0 0.0 10 34
150 A 150 GLN Q H H < 35TS+ 0 0 -52.3 -49.2 179.2 57.3 109.3 20.0 146 -1.3 0 0.0 0 0.0 0 0.0 7 27
151 A 151 ASP D T h < 35TS- 0 0 -59.8 -1.7 179.1 -132.6 112.1 58.8 147 -2.3 0 0.0 0 0.0 0 0.0 7 25
152 A 152 GLN Q T T <5T + 0 0 56.9 16.7 178.7 138.3 63.3 51.4 149 -2.4 154 -1.5 0 0.0 0 0.0 6 25
153 A 153 SER S h > > 3 T + 0 0 -37.0 -66.9 179.5 66.2 66.2 29.4 152 -1.5 158 -2.1 0 0.0 0 0.0 8 34
155 A 155 ALA A H H > 3 TS+ 0 0 -22.5 -63.6 -179.0 35.6 110.2 39.4 0 0.0 159 -1.6 0 0.0 0 0.0 6 39
156 A 156 LEU L H H > < TS+ 0 0 -65.1 -46.2 -179.9 63.5 108.5 26.7 153 -0.8 160 -1.5 0 0.0 0 0.0 9 40
157 A 157 SER S H H X TS+ 0 0 -48.3 -39.3 179.8 48.8 105.8 29.9 153 -1.6 161 -2.0 0 0.0 0 0.0 14 48
158 A 158 ASN N H H X TS+ 0 0 -68.4 -49.7 178.9 61.4 100.3 16.2 154 -2.1 162 -2.5 0 0.0 0 0.0 10 52
159 A 159 LYS K H H X TS+ 0 0 -44.7 -31.8 -179.9 46.5 109.9 36.5 155 -1.6 163 -1.3 0 0.0 0 0.0 9 47
160 A 160 CYS C H H X TS+ 0 0 -76.7 -55.9 -178.5 50.5 108.6 15.9 156 -1.5 164 -2.3 0 0.0 0 0.0 13 56
161 A 161 PHE F H H X TS+ 0 0 -56.2 -29.0 178.1 51.9 110.0 39.4 157 -2.0 165 -4.5 0 0.0 0 0.0 13 56
162 A 162 ILE I H H X TS+ 0 0 -71.7 -50.9 178.9 46.3 110.3 14.3 158 -2.5 166 -2.2 0 0.0 0 0.0 11 61
163 A 163 LYS K H H X TS+ 0 0 -55.6 -28.7 -179.4 47.1 119.1 31.8 159 -1.3 167 -0.9 0 0.0 0 0.0 10 60
164 A 164 CYS C H H X TS+ 0 0 -77.2 -54.4 179.6 41.0 115.0 16.2 160 -2.3 168 -1.0 0 0.0 0 0.0 11 60
165 A 165 ALA A H H X > TS+ 0 0 -56.3 -65.6 179.4 52.1 113.2 11.4 161 -4.5 168 -2.1 0 0.0 169 -1.9 13 57
166 A 166 ASP D H H X 3 TS+ 0 0 -35.5 -49.0 -176.1 49.2 111.9 33.5 162 -2.2 170 -0.7 0 0.0 0 0.0 10 59
167 A 167 LEU L H H X 3 TS+ 0 0 -72.6 -22.3 179.5 52.3 106.2 50.0 163 -0.9 171 -1.5 0 0.0 0 0.0 10 54
168 A 168 LYS K H H < <>TS+ 0 0 -84.3 -26.7 -179.3 64.1 101.0 40.0 165 -2.1 173 -2.6 164 -1.0 0 0.0 13 46
169 A 169 ALA A H H < 5TS+ 0 0 -63.0 -32.5 179.8 45.5 105.4 31.7 165 -1.9 0 0.0 0 0.0 0 0.0 12 50
170 A 170 LEU L H H < 5TS+ 0 0 -74.7 -54.2 178.4 54.7 106.5 16.4 166 -0.7 0 0.0 0 0.0 0 0.0 11 44
171 A 171 ASP D T h < 5TS- 0 0 -57.4 -2.1 177.6 -112.4 123.5 57.7 167 -1.5 0 0.0 0 0.0 0 0.0 7 33
172 A 172 GLY G T T 5TS+ 0 0 83.1 11.5 178.1 137.6 75.9 53.6 0 0.0 174 -1.8 0 0.0 0 0.0 6 39
173 A 173 GLN Q h > T + 0 0 -41.7 -46.9 -179.1 37.5 65.3 42.9 172 -1.8 178 -2.0 0 0.0 0 0.0 13 45
175 A 175 ILE I H H > TS+ 0 0 -79.6 -48.7 178.9 59.0 108.7 17.6 0 0.0 179 -2.0 0 0.0 0 0.0 9 40
176 A 176 GLU E H H > TS+ 0 0 -42.6 -45.1 -179.7 46.4 112.5 24.2 0 0.0 180 -2.5 0 0.0 0 0.0 9 38
177 A 177 ALA A H H X TS+ 0 0 -63.0 -59.7 -179.8 52.1 106.4 11.0 173 -2.0 181 -3.0 0 0.0 0 0.0 14 50
178 A 178 SER S H H X TS+ 0 0 -49.9 -19.6 179.2 52.6 113.1 42.6 174 -2.0 182 -1.3 0 0.0 0 0.0 14 54
179 A 179 ASP D H H X TS+ 0 0 -78.5 -56.9 179.4 48.1 105.3 19.7 175 -2.0 183 -2.6 0 0.0 0 0.0 9 46
180 A 180 ILE I H H X TS+ 0 0 -53.4 -30.9 179.3 52.8 113.1 34.4 176 -2.5 184 -2.2 0 0.0 0 0.0 11 50
181 A 181 TYR Y H H X TS+ 0 0 -72.0 -41.6 179.8 54.0 104.2 23.7 177 -3.0 185 -1.0 0 0.0 0 0.0 14 51
182 A 182 SER S H H X > TS+ 0 0 -53.4 -54.5 -179.6 44.2 112.4 14.6 178 -1.3 186 -2.2 0 0.0 185 -1.5 11 45
183 A 183 LYS K H H X 3 TS+ 0 0 -57.7 -41.8 178.6 57.1 108.3 28.2 179 -2.6 187 -2.7 0 0.0 0 0.0 8 44
184 A 184 LEU L H H < 3 TS+ 0 0 -63.4 -17.2 -179.5 47.2 110.6 46.7 180 -2.2 0 0.0 0 0.0 0 0.0 12 53
185 A 185 ILE I H H < X TS+ 0 0 -89.1 -47.5 179.9 46.1 111.6 28.2 182 -1.5 188 -0.9 181 -1.0 0 0.0 11 45
186 A 186 LYS K H H < > TS+ 0 0 -60.9 -49.9 179.2 47.4 115.0 20.7 182 -2.2 189 -1.1 0 0.0 188 -1.0 8 36
187 A 187 SER S T h < 3 TS+ 0 0 -87.9 48.8 -179.9 56.3 110.2 104.9 183 -2.7 0 0.0 0 0.0 0 0.0 8 38
188 A 188 SER S T T < TS+ 0 0 -152.0 -9.2 178.6 63.8 91.8 71.5 186 -1.0 0 0.0 185 -0.9 0 0.0 11 37
189 A 189 MET M S t < TS+ 0 0 -95.0 -15.6 178.9 69.7 88.8 52.5 186 -1.1 0 0.0 0 0.0 0 0.0 9 28
190 A 190 GLY G S S S+ 0 0 -75.9 -6.5 179.3 63.1 96.1 56.8 0 0.0 192 -0.6 0 0.0 0 0.0 6 22
191 A 191 ASN N t > > T - 0 0 -120.9 97.3 -179.5 -165.9 69.3 154.7 0 0.0 194 -2.0 0 0.0 195 -0.6 8 22
192 A 192 ARG R T T 4 3 TS+ 0 0 -64.6 6.4 179.4 74.8 85.4 65.2 190 -0.6 0 0.0 0 0.0 0 0.0 7 18
193 A 193 LEU L T T 4 3 TS+ 0 0 -100.2 8.8 179.8 48.9 93.9 74.4 0 0.0 0 0.0 0 0.0 0 0.0 5 20
194 A 194 SER S T g > X TS+ 0 0 -116.3 -25.0 179.8 111.5 74.4 54.6 191 -2.0 197 -1.9 0 0.0 198 -0.9 9 28
195 A 195 GLN Q G G < > TS+ 0 0 -16.2 -58.4 -177.9 55.3 73.9 48.9 191 -0.6 198 -0.6 0 0.0 0 0.0 9 23
196 A 196 TRP W G G 4 > TS+ 0 0 -54.0 -47.6 -179.0 47.6 106.3 29.0 0 0.0 199 -0.9 0 0.0 0 0.0 6 24
197 A 197 SER S G h > X TS+ 0 0 -68.5 -23.7 -178.9 87.6 88.6 43.9 194 -1.9 201 -0.8 0 0.0 200 -0.8 7 32
198 A 198 LEU L H H X < TS+ 0 0 -54.2 -12.8 179.3 69.5 75.1 58.2 194 -0.9 202 -1.3 195 -0.6 0 0.0 10 40
199 A 199 LYS K H H > < TS+ 0 0 -70.6 -55.4 -178.6 51.8 95.3 14.7 196 -0.9 203 -2.2 0 0.0 0 0.0 9 40
200 A 200 ASP D H H > < TS+ 0 0 -52.2 -36.7 179.9 58.4 103.4 35.0 197 -0.8 204 -3.1 0 0.0 0 0.0 9 54
201 A 201 TYR Y H H X TS+ 0 0 -60.4 -51.0 178.5 44.5 109.9 10.7 197 -0.8 205 -2.9 0 0.0 0 0.0 12 57
202 A 202 PHE F H H X TS+ 0 0 -53.3 -66.2 -179.8 42.8 117.2 11.5 198 -1.3 206 -2.6 0 0.0 0 0.0 15 55
203 A 203 LEU L H H X TS+ 0 0 -45.8 -55.3 179.6 48.0 116.9 22.7 199 -2.2 207 -3.3 0 0.0 0 0.0 12 60
204 A 204 LYS K H H X TS+ 0 0 -55.8 -36.5 -179.7 51.6 111.6 30.8 200 -3.1 208 -2.0 0 0.0 0 0.0 11 70
205 A 205 LYS K H H X TS+ 0 0 -68.4 -37.5 -179.3 45.2 112.5 26.5 201 -2.9 209 -1.9 0 0.0 0 0.0 16 66
206 A 206 GLY G H H X TS+ 0 0 -70.7 -45.6 179.1 54.2 109.4 22.9 202 -2.6 210 -3.1 0 0.0 0 0.0 15 63
207 A 207 LEU L H H X TS+ 0 0 -55.1 -44.2 179.0 48.4 109.6 23.9 203 -3.3 211 -2.3 0 0.0 0 0.0 12 76
208 A 208 CYS C H H X TS+ 0 0 -59.1 -48.5 -179.7 52.4 110.6 19.7 204 -2.0 212 -1.1 0 0.0 0 0.0 14 61
209 A 209 GLN Q H H < >>TS+ 0 0 -53.1 -55.8 178.9 45.2 110.8 18.2 205 -1.9 214 -1.9 0 0.0 212 -1.2 15 58
210 A 210 LEU L H H < >5TS+ 0 0 -57.5 -38.6 -178.4 60.2 106.7 27.9 206 -3.1 213 -2.4 0 0.0 0 0.0 13 61
211 A 211 ALA A H H < 35TS+ 0 0 -62.1 -23.9 179.6 52.8 102.3 40.2 207 -2.3 0 0.0 0 0.0 0 0.0 13 57
212 A 212 ALA A T h < <5TS- 0 0 -92.0 8.7 179.9 -115.8 120.7 74.6 209 -1.2 0 0.0 208 -1.1 0 0.0 8 44
213 A 213 THR T T T <5TS+ 0 0 61.2 29.2 178.8 133.7 75.5 42.1 210 -2.4 215 -0.8 0 0.0 0 0.0 8 47
214 A 214 ASP D h > TS+ 0 0 -70.4 -13.4 179.1 59.8 70.9 49.5 213 -0.8 219 -1.9 0 0.0 0 0.0 11 43
216 A 216 VAL V H H > TS+ 0 0 -73.8 -62.0 -179.6 47.6 103.6 11.2 0 0.0 220 -3.3 0 0.0 0 0.0 6 31
217 A 217 ALA A H H > TS+ 0 0 -44.6 -38.0 179.5 51.0 113.6 34.1 0 0.0 221 -3.6 0 0.0 0 0.0 10 38
218 A 218 ALA A H H X TS+ 0 0 -66.0 -53.6 179.4 48.2 109.5 12.7 214 -1.5 222 -2.1 0 0.0 0 0.0 14 48
219 A 219 ALA A H H X TS+ 0 0 -50.9 -46.2 179.9 45.8 116.4 22.7 215 -1.9 223 -1.5 0 0.0 0 0.0 11 39
220 A 220 ARG R H H X > TS+ 0 0 -60.4 -61.1 -178.5 49.2 111.3 8.0 216 -3.3 224 -2.2 0 0.0 223 -1.3 8 35
221 A 221 THR T H H < 3 TS+ 0 0 -54.1 -21.6 177.8 56.6 108.1 44.5 217 -3.6 0 0.0 0 0.0 0 0.0 11 50
222 A 222 LEU L H H < 3 TS+ 0 0 -76.6 -36.5 179.9 48.5 107.0 30.2 218 -2.1 0 0.0 0 0.0 0 0.0 14 40
223 A 223 GLN Q H H < X TS+ 0 0 -64.2 -54.9 178.5 59.2 103.2 13.7 219 -1.5 226 -0.8 220 -1.3 0 0.0 7 31
224 A 224 GLU E G h < > TS+ 0 0 -46.0 -21.8 179.1 81.3 86.5 43.5 220 -2.2 227 -0.5 0 0.0 0 0.0 7 34
225 A 225 GLY G G G 3 TS+ 0 0 -75.0 25.8 179.3 77.6 75.6 82.9 0 0.0 0 0.0 0 0.0 0 0.0 8 39
226 A 226 GLN Q G G < T 0 0 -126.3 39.6 179.8 999.9 999.9 103.4 223 -0.8 0 0.0 0 0.0 0 0.0 5 25
227!A 227 SER S g < T 0 0 -175.9 999.9 999.9 999.9 999.9 136.2 224 -0.5 0 0.0 0 0.0 0 0.0 3 21
228!A 237 GLU E h > > T 0 0 999.9 -87.0 178.6 999.9 999.9 999.9 0 0.0 231 -3.0 0 0.0 232 -1.8 7 42
229 A 238 SER S H H > 3 T + 0 0 -47.6 -17.4 178.3 58.5 999.9 47.2 0 0.0 233 -1.0 0 0.0 0 0.0 10 40
230 A 239 ASN N H H > 3 TS+ 0 0 -83.0 -29.6 178.3 49.5 103.1 37.8 0 0.0 234 -1.5 0 0.0 0 0.0 6 36
231 A 240 PHE F H H > < TS+ 0 0 -75.1 -32.5 178.6 59.0 105.0 38.1 228 -3.0 235 -0.8 0 0.0 0 0.0 9 46
232 A 241 LEU L H H X > TS+ 0 0 -62.5 -42.9 179.9 53.6 103.2 24.1 228 -1.8 236 -2.9 0 0.0 235 -0.7 12 57
233 A 242 LYS K H H X 3 TS+ 0 0 -56.0 -57.7 179.0 52.5 104.2 14.7 229 -1.0 237 -1.3 0 0.0 0 0.0 10 46
234 A 243 SER S H H X 3 TS+ 0 0 -52.4 -22.0 179.4 45.8 114.4 44.2 230 -1.5 238 -1.8 0 0.0 0 0.0 10 42
235 A 244 LEU L H H X < TS+ 0 0 -89.8 -42.0 179.8 61.6 100.9 30.7 231 -0.8 239 -1.9 232 -0.7 0 0.0 10 60
236 A 245 ILE I H H X TS+ 0 0 -56.1 -17.9 179.1 41.3 115.0 41.4 232 -2.9 240 -1.2 0 0.0 0 0.0 12 51
237 A 246 ASP D H H X TS+ 0 0 -91.5 -68.5 179.1 56.4 104.4 23.2 233 -1.3 241 -1.2 0 0.0 0 0.0 9 43
238 A 247 ALA A H H < >TS+ 0 0 -34.8 -28.8 178.8 43.8 117.6 42.5 234 -1.8 243 -2.6 0 0.0 0 0.0 13 45
239 A 248 VAL V H H < >5TS+ 0 0 -82.7 -60.3 179.8 58.3 103.9 17.9 235 -1.9 242 -1.5 0 0.0 0 0.0 12 47
240 A 249 ASN N H H < 35TS+ 0 0 -47.8 -4.0 179.6 43.9 115.0 57.3 236 -1.2 0 0.0 0 0.0 0 0.0 7 39
241 A 250 GLU E T h < 35TS- 0 0 -138.2 51.1 -179.8 -123.0 106.7 109.5 237 -1.2 0 0.0 0 0.0 0 0.0 6 34
242 A 251 GLY G T T <5T + 0 0 4.8 59.8 179.6 146.1 61.0 56.2 239 -1.5 244 -0.6 0 0.0 0 0.0 10 33
243 A 252 ASP D t > > TS+ 0 0 -74.3 -46.3 179.6 39.2 122.0 24.1 0 0.0 250 -3.0 0 0.0 249 -0.7 8 31
247 A 256 LEU L H H X 3 TS+ 0 0 -62.3 -63.3 -179.5 54.2 112.0 3.7 243 -1.6 251 -2.1 0 0.0 0 0.0 14 43
248 A 257 SER S H H > 3 TS+ 0 0 -46.6 -11.1 -178.8 45.3 115.4 51.7 0 0.0 252 -0.5 0 0.0 0 0.0 9 42
249 A 258 GLU E H H > < TS+ 0 0 -99.4 -52.1 179.6 55.8 103.6 32.1 246 -0.7 253 -2.7 0 0.0 0 0.0 8 34
250 A 259 HIS H H H X TS+ 0 0 -52.5 -31.9 178.6 50.4 110.5 34.4 246 -3.0 254 -3.1 0 0.0 0 0.0 11 38
251 A 260 CYS C H H X TS+ 0 0 -71.3 -48.0 178.9 53.0 107.0 18.1 247 -2.1 255 -1.4 0 0.0 0 0.0 8 45
252 A 261 LYS K H H < TS+ 0 0 -52.3 -40.5 178.9 40.5 116.6 29.0 248 -0.5 0 0.0 0 0.0 0 0.0 8 29
253 A 262 GLU E H H X > TS+ 0 0 -72.6 -60.2 -180.0 55.3 109.5 12.3 249 -2.7 256 -3.6 0 0.0 257 -0.6 8 26
254 A 263 PHE F H H < 3 TS+ 0 0 -48.5 -16.9 179.6 74.7 93.6 46.1 250 -3.1 0 0.0 0 0.0 0 0.0 11 31
255 A 264 ASP D T h < 3 TS+ 0 0 -75.0 -3.7 -179.9 56.0 92.4 56.2 251 -1.4 0 0.0 0 0.0 0 0.0 9 27
256 A 265 ASN N T T 4 < TS+ 0 0 -89.6 -55.8 179.6 40.1 107.5 22.7 253 -3.6 0 0.0 0 0.0 0 0.0 7 17
257 A 266 PHE F S t < TS+ 0 0 -82.1 27.4 178.5 10.1 140.2 87.6 253 -0.6 0 0.0 0 0.0 0 0.0 6 16
258 A 267 MET M S S S- 0 0 160.3 67.3 179.6 -129.8 82.7 76.0 0 0.0 0 0.0 0 0.0 0 0.0 6 23
259 A 268 ARG R - 0 0 -28.6 131.1 -178.4 -111.5 36.4 81.9 0 0.0 0 0.0 0 0.0 0 0.0 7 21
260 A 269 LEU L - 0 0 -79.4 132.8 179.2 -135.3 25.7 125.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28
261 A 270 ASP D h > > T - 0 0 -87.6 145.1 179.9 -97.0 32.9 129.6 0 0.0 265 -1.6 0 0.0 264 -0.7 6 26
262 A 271 LYS K H H > 3 TS+ 0 0 -23.4 -52.7 -179.7 57.7 121.0 45.5 0 0.0 266 -2.9 0 0.0 0 0.0 6 22
263 A 272 TRP W H H > 3 TS+ 0 0 -49.8 -67.3 -178.5 43.1 108.7 13.6 0 0.0 267 -2.2 0 0.0 0 0.0 9 38
264 A 273 LYS K H H > < TS+ 0 0 -48.4 -42.8 -179.5 53.9 112.9 29.5 261 -0.7 268 -3.2 0 0.0 0 0.0 9 54
265 A 274 ILE I H H X TS+ 0 0 -60.8 -45.7 178.0 44.8 111.6 19.4 261 -1.6 269 -1.9 0 0.0 0 0.0 9 38
266 A 275 THR T H H X > TS+ 0 0 -57.0 -69.0 179.8 43.3 117.4 4.5 262 -2.9 270 -2.3 0 0.0 269 -1.3 9 34
267 A 276 ILE I H H X 3 TS+ 0 0 -45.8 -39.0 -178.4 54.2 113.1 34.5 263 -2.2 271 -0.9 0 0.0 0 0.0 13 47
268 A 277 LEU L H H X 3 TS+ 0 0 -71.2 -30.5 178.9 49.6 106.6 32.5 264 -3.2 272 -2.5 0 0.0 0 0.0 10 58
269 A 278 ASN N H H X < TS+ 0 0 -73.0 -38.8 179.3 57.1 105.8 24.0 265 -1.9 273 -2.5 266 -1.3 0 0.0 8 44
270 A 279 LYS K H H X TS+ 0 0 -60.5 -22.9 -179.7 44.5 111.8 38.9 266 -2.3 274 -1.4 0 0.0 0 0.0 9 42
271 A 280 ILE I H H X TS+ 0 0 -86.9 -44.0 179.7 54.5 107.2 27.7 267 -0.9 275 -0.9 0 0.0 0 0.0 11 53
272 A 281 LYS K H H X > TS+ 0 0 -54.2 -43.7 179.2 48.3 112.4 22.2 268 -2.5 276 -1.7 0 0.0 275 -0.8 11 45
273 A 282 GLU E H H X 3 TS+ 0 0 -60.7 -55.7 179.9 60.2 101.0 16.3 269 -2.5 277 -2.6 0 0.0 0 0.0 9 38
274 A 283 SER S H H < 3 TS+ 0 0 -47.6 -18.1 178.7 51.2 108.0 45.4 270 -1.4 0 0.0 0 0.0 0 0.0 10 39
275 A 284 ILE I H H X X TS+ 0 0 -83.4 -54.2 -179.0 45.9 108.8 22.1 271 -0.9 279 -1.2 272 -0.8 278 -0.7 12 37
276 A 285 GLN Q H H X > TS+ 0 0 -55.0 -46.9 -179.6 54.3 110.2 23.4 272 -1.7 280 -2.2 0 0.0 279 -1.0 11 27
277 A 286 GLN Q H H < 3 TS+ 0 0 -58.2 -30.4 -179.9 50.3 108.6 35.1 273 -2.6 0 0.0 0 0.0 0 0.0 8 22
278 A 287 GLN Q H H 4 < TS+ 0 0 -80.2 -20.9 179.5 52.3 108.7 44.8 275 -0.7 0 0.0 0 0.0 0 0.0 8 25
279 A 288 GLU E H H < < TS+ 0 0 -82.1 -33.4 179.6 43.5 112.4 35.9 275 -1.2 0 0.0 276 -1.0 0 0.0 7 21
280 A 289 ASP D h < T 0 0 -97.0 20.2 -179.2 999.9 999.9 84.9 276 -2.2 0 0.0 0 0.0 0 0.0 5 13
281 A 290 ASP D 0 0 -112.5 999.9 999.9 999.9 999.9 115.1 0 0.0 0 0.0 0 0.0 0 0.0 4 12
1qqeA.pdb
1QQE PROTEIN TRANSPORT MOL_ID: 1; MOL_ID: 1;
author author
Kabs/Sand HHHHHHHHHHHSS THHHHHS SHHHHHHHHHHHHHHHHHHHHTT THHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHTT HHHHHHHH Kabs/Sand
chirality +-++++++++++++--++-+++++---+++++++++++++++++++++-+++++++++++++++++++-+++++++++++++++++++-++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSSS SSSSSSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSS bends
turns TTTTTTTTTTTTT TTTTTTTT TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< >5555< 5-turns
3-turns >33< >33< >33< >33< >33< >33<>>3<< >33< >33< >3 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns >>>>XXXXX<<<< >>>4<<< >>>>XXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXX 4-turns
summary hHHHHHHHHHHHhS thHHHHHh hHHHHHHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHHHHHhThHHHHHHHH summary
sequence ISDPVELLKRAEKKGVPSSGFMKLFSGSDSYKFEEAADLCVQAATIYRLRKELNLAGDSFLKAADYQKKAGNEDEAGNTYVEAYKCFKSGGNSVNAVDSL sequence
10 20 30 40 50 60 70 80 90 100
author author
Kabs/Sand HHHHHHHHHTT HHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHTTSS TTTGGGHHH Kabs/Sand
chirality +++++++++-++++++++++++++++++++-+++++++++++++++++++-+++++++++++++++++++-+++++++++++++++++++-+++++++++ chirality
bends SSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSS SSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTT turns
5-turns >5555< >5555< >5555< >5555< 5-turns
3-turns 3< >33< >33< >33< >33X33<>33< >33< >33X>3<< >33X>>X<<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXXXXXXXX<<<< >>>>XXXXXXX<<<< >44><4>X>> 4-turns
summary HHHHHHHHHhThHHHHHHHHHHHHHHHHHhTthHHHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHhTtStTTgGGhHHH summary
sequence ENAIQIFTHRGQFRRGANFKFELGEILENDLHDYAKAIDCYELAGEWYAQDQSVALSNKCFIKCADLKALDGQYIEASDIYSKLIKSSMGNRLSQWSLKD sequence
110 120 130 140 150 160 170 180 190 200
author author
Kabs/Sand HHHHHHHHHHHTT HHHHHHHHHGGG HHHHHHHHHHHHTT TTTHHHHHHHHTTSS HHHHHHHHHHHHHHHHHH Kabs/Sand
chirality +++++++++++-+++++++++++++ ++++++++++++-+-++++++++++++++----++++++++++++++++++ chirality
bends SSSSSSSSSSSSS SSSSSSSSSSS SSSSSSSSSSSS SSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSS bends
turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTTTT turns
5-turns >5555< >5555< 5-turns
3-turns >>3<< >33X>3<<>33<>33< >33< >33< >33< >33< >33< >33X>3<< 3-turns
bridge-2 bridge-2
bridge-1 bridge-1
sheets sheets
4-turns XXXXXXXX<<<< >>>>XXX<<<< >>>>XXXXXX<<<< >44>X>>XX>>>XXXXXXXXX