Secondary structure calculation program - copyright by David Keith Smith, 1989 1qghA.pdb 1QGH METAL TRANSPORT MOL_ID: 1; MOL_ID: 1; Sequence length - 150 A A K K hydrogen bonding Ooi's strk chain/ l amino u & S structure bridge dihedral angles donor acceptor donor acceptor N N num seq.no t acids t S + patterns partners phi psi omega alpha kappa tco to/energy fr/energy to/energy fr/energy 8 14 1 A 7 VAL V 0 0 999.9 173.3 176.9 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 4 24 2 A 8 ASP D h > T - 0 0 -105.4 173.3 -175.1 -91.7 999.9 125.2 0 0.0 6 -2.8 0 0.0 0 0.0 6 32 3 A 9 THR T H H > TS+ 0 0 -53.7 -48.6 179.5 50.9 124.0 24.1 0 0.0 7 -3.5 0 0.0 0 0.0 10 43 4 A 10 LYS K H H > TS+ 0 0 -57.3 -51.4 176.5 43.1 114.0 17.7 0 0.0 8 -2.8 0 0.0 0 0.0 9 44 5 A 11 GLU E H H > TS+ 0 0 -64.0 -34.6 -179.1 51.7 113.9 30.8 0 0.0 9 -2.0 0 0.0 0 0.0 8 42 6 A 12 PHE F H H X TS+ 0 0 -67.7 -47.2 -179.1 47.1 111.5 17.1 2 -2.8 10 -1.7 0 0.0 0 0.0 10 53 7 A 13 LEU L H H X > TS+ 0 0 -58.6 -47.2 -178.8 48.6 112.0 16.3 3 -3.5 11 -2.0 0 0.0 10 -0.5 12 62 8 A 14 ASN N H H X 3 TS+ 0 0 -62.8 -34.5 179.4 57.7 106.3 22.9 4 -2.8 12 -2.3 0 0.0 0 0.0 14 53 9 A 15 HIS H H H X 3 TS+ 0 0 -62.8 -34.0 179.4 50.1 106.5 24.9 5 -2.0 13 -2.5 0 0.0 0 0.0 11 56 10 A 16 GLN Q H H X < TS+ 0 0 -74.0 -28.4 175.7 58.7 102.5 32.1 6 -1.7 14 -3.0 7 -0.5 0 0.0 11 69 11 A 17 VAL V H H X TS+ 0 0 -61.2 -44.8 174.8 45.8 109.9 13.4 7 -2.0 15 -2.3 0 0.0 0 0.0 15 55 12 A 18 ALA A H H X TS+ 0 0 -59.5 -54.9 179.6 45.2 115.1 16.1 8 -2.3 16 -1.6 0 0.0 0 0.0 14 49 13 A 19 ASN N H H X TS+ 0 0 -55.1 -47.1 -176.0 53.9 110.6 25.0 9 -2.5 17 -3.0 0 0.0 0 0.0 13 57 14 A 20 LEU L H H X TS+ 0 0 -59.7 -41.3 175.1 51.5 107.2 22.6 10 -3.0 18 -2.3 0 0.0 0 0.0 12 62 15 A 21 ASN N H H X TS+ 0 0 -65.4 -27.9 177.2 45.2 112.9 33.0 11 -2.3 19 -1.3 0 0.0 0 0.0 11 49 16 A 22 VAL V H H X TS+ 0 0 -77.5 -42.6 -175.0 50.6 112.5 25.2 12 -1.6 20 -2.1 0 0.0 0 0.0 14 50 17 A 23 PHE F H H X TS+ 0 0 -61.0 -40.6 -175.1 55.6 106.8 25.1 13 -3.0 21 -2.4 0 0.0 0 0.0 11 55 18 A 24 THR T H H X TS+ 0 0 -61.7 -43.4 177.2 46.2 108.2 23.2 14 -2.3 22 -2.0 0 0.0 0 0.0 11 49 19 A 25 VAL V H H X TS+ 0 0 -66.8 -37.7 179.0 55.6 110.2 25.4 15 -1.3 23 -2.6 0 0.0 0 0.0 8 44 20 A 26 LYS K H H X TS+ 0 0 -62.3 -38.1 -179.5 53.7 104.2 25.0 16 -2.1 24 -2.1 0 0.0 0 0.0 10 54 21 A 27 ILE I H H X TS+ 0 0 -63.5 -45.3 176.9 49.6 108.3 15.8 17 -2.4 25 -2.3 0 0.0 0 0.0 12 51 22 A 28 HIS H H H X TS+ 0 0 -57.6 -40.4 -179.1 56.8 106.9 22.6 18 -2.0 26 -2.4 0 0.0 0 0.0 11 39 23 A 29 GLN Q H H X TS+ 0 0 -55.8 -48.7 -176.0 41.6 110.5 19.4 19 -2.6 27 -2.7 0 0.0 0 0.0 9 42 24 A 30 ILE I H H X TS+ 0 0 -66.0 -36.5 -174.8 55.9 113.3 28.3 20 -2.1 28 -1.9 0 0.0 0 0.0 10 50 25 A 31 HIS H H H < TS+ 0 0 -67.5 -29.1 -177.7 37.6 113.9 30.2 21 -2.3 0 0.0 0 0.0 0 0.0 11 41 26 A 32 TRP W H H < TS+ 0 0 -90.1 -42.6 -174.3 40.7 121.9 29.3 22 -2.4 0 0.0 0 0.0 0 0.0 7 35 27 A 33 TYR Y H H < TS+ 0 0 -85.1 -13.8 -175.5 119.6 82.9 50.4 23 -2.7 0 0.0 0 0.0 0 0.0 6 37 28 A 34 MET M h < T + 0 0 -58.6 147.6 177.4 173.0 33.2 100.4 24 -1.9 0 0.0 0 0.0 0 0.0 12 36 29 A 35 ARG R + 0 0 -149.1 151.7 -177.1 78.9 27.0 166.7 0 0.0 0 0.0 0 0.0 0 0.0 8 28 30 A 36 GLY G S t > TS- 0 0 130.0 164.7 179.2 -59.4 90.8 123.7 0 0.0 33 -2.6 0 0.0 0 0.0 7 24 31 A 37 HIS H T T 3 TS+ 0 0 -51.9 -22.8 179.6 57.6 128.7 42.6 0 0.0 0 0.0 0 0.0 0 0.0 5 20 32 A 38 ASN N T h > 3 TS+ 0 0 -90.2 5.8 -177.2 111.4 73.7 66.8 0 0.0 36 -2.9 0 0.0 0 0.0 8 26 33 A 39 PHE F H H > < TS+ 0 0 -45.6 -54.6 -173.9 48.7 73.4 28.6 30 -2.6 37 -3.0 0 0.0 0 0.0 9 28 34 A 40 PHE F H H > TS+ 0 0 -57.2 -51.8 179.2 39.8 116.6 12.8 0 0.0 38 -2.2 0 0.0 0 0.0 7 19 35 A 41 THR T H H > TS+ 0 0 -62.2 -52.5 -179.4 41.7 121.2 14.3 0 0.0 39 -2.8 0 0.0 0 0.0 7 26 36 A 42 LEU L H H X TS+ 0 0 -66.5 -29.9 -179.1 61.2 108.5 31.5 32 -2.9 40 -2.8 0 0.0 0 0.0 9 41 37 A 43 HIS H H H X TS+ 0 0 -59.7 -47.0 178.7 40.3 111.3 16.5 33 -3.0 41 -1.3 0 0.0 0 0.0 11 32 38 A 44 GLU E H H X TS+ 0 0 -69.2 -43.5 176.0 57.2 110.4 18.0 34 -2.2 42 -1.8 0 0.0 0 0.0 8 28 39 A 45 LYS K H H X TS+ 0 0 -54.6 -41.9 177.3 54.1 103.8 23.9 35 -2.8 43 -2.4 0 0.0 0 0.0 8 38 40 A 46 MET M H H X TS+ 0 0 -61.4 -35.7 178.4 56.6 102.9 26.3 36 -2.8 44 -2.9 0 0.0 0 0.0 12 45 41 A 47 ASP D H H X TS+ 0 0 -59.4 -39.3 179.5 47.8 108.8 22.6 37 -1.3 45 -2.0 0 0.0 0 0.0 10 30 42 A 48 ASP D H H X TS+ 0 0 -67.4 -42.4 177.4 48.2 111.9 19.6 38 -1.8 46 -2.7 0 0.0 0 0.0 8 33 43 A 49 LEU L H H X TS+ 0 0 -62.9 -40.9 -178.2 55.8 108.4 27.1 39 -2.4 47 -3.2 0 0.0 0 0.0 9 47 44 A 50 TYR Y H H X TS+ 0 0 -59.4 -45.4 -179.0 43.5 110.6 23.0 40 -2.9 48 -1.9 0 0.0 0 0.0 11 37 45 A 51 SER S H H X TS+ 0 0 -69.5 -42.7 178.9 48.8 115.1 20.2 41 -2.0 49 -2.0 0 0.0 0 0.0 8 30 46 A 52 GLU E H H X TS+ 0 0 -62.5 -46.4 -179.2 44.6 113.9 17.6 42 -2.7 50 -2.2 0 0.0 0 0.0 8 39 47 A 53 PHE F H H X TS+ 0 0 -66.7 -29.9 177.3 55.9 110.3 29.3 43 -3.2 51 -2.2 0 0.0 0 0.0 11 50 48 A 54 GLY G H H X TS+ 0 0 -69.4 -34.8 179.1 48.9 107.7 29.3 44 -1.9 52 -2.4 0 0.0 0 0.0 11 34 49 A 55 GLU E H H X TS+ 0 0 -73.4 -39.0 177.9 52.5 108.3 21.1 45 -2.0 53 -2.2 0 0.0 0 0.0 8 34 50 A 56 GLN Q H H X TS+ 0 0 -54.5 -42.7 -176.5 52.6 110.3 20.2 46 -2.2 54 -3.4 0 0.0 0 0.0 10 45 51 A 57 MET M H H X TS+ 0 0 -62.2 -51.8 177.6 45.6 108.6 17.1 47 -2.2 55 -2.5 0 0.0 0 0.0 12 50 52 A 58 ASP D H H X TS+ 0 0 -58.7 -34.9 -176.3 49.0 115.8 27.4 48 -2.4 56 -2.6 0 0.0 0 0.0 9 39 53 A 59 GLU E H H X TS+ 0 0 -74.0 -40.8 176.5 49.3 110.0 28.9 49 -2.2 57 -2.4 0 0.0 0 0.0 8 42 54 A 60 VAL V H H X TS+ 0 0 -62.5 -50.4 -178.0 46.6 113.9 12.4 50 -3.4 58 -2.8 0 0.0 0 0.0 12 53 55 A 61 ALA A H H X TS+ 0 0 -58.7 -45.1 179.4 48.0 114.0 24.2 51 -2.5 59 -2.4 0 0.0 0 0.0 13 41 56 A 62 GLU E H H X TS+ 0 0 -66.9 -30.0 176.1 51.8 109.8 29.0 52 -2.6 60 -2.6 0 0.0 0 0.0 8 34 57 A 63 ARG R H H X TS+ 0 0 -69.1 -43.0 178.3 49.8 110.6 18.7 53 -2.4 61 -1.5 0 0.0 0 0.0 9 40 58 A 64 LEU L H H < >>TS+ 0 0 -55.9 -49.5 -176.6 49.1 110.1 17.7 54 -2.8 63 -3.5 0 0.0 61 -0.8 14 39 59 A 65 LEU L H H < >5TS+ 0 0 -58.3 -42.5 -179.4 55.1 109.5 19.2 55 -2.4 62 -1.9 0 0.0 0 0.0 10 28 60 A 66 ALA A H H < 35TS+ 0 0 -64.5 -28.9 179.7 51.1 103.9 41.5 56 -2.6 0 0.0 0 0.0 0 0.0 7 24 61 A 67 ILE I T h < <5TS- 0 0 -91.3 15.6 180.0 -92.1 131.6 79.8 57 -1.5 0 0.0 58 -0.8 0 0.0 7 28 62 A 68 GLY G T T <5TS+ 0 0 87.1 13.0 178.2 132.9 84.9 54.2 59 -1.9 0 0.0 0 0.0 0 0.0 6 22 63 A 69 GLY G tTS- 0 0 -159.9 147.2 179.2 -115.6 78.7 160.1 0 0.0 72 -2.6 0 0.0 0 0.0 6 25 69 A 75 LEU L H H > TS+ 0 0 -54.6 -38.2 -177.1 59.6 115.8 31.8 0 0.0 73 -3.8 0 0.0 0 0.0 6 29 70 A 76 LYS K H H > TS+ 0 0 -61.2 -49.4 177.4 43.9 106.9 13.4 0 0.0 74 -3.0 0 0.0 0 0.0 6 22 71 A 77 GLU E H H > TS+ 0 0 -62.0 -40.4 -179.0 50.5 114.2 22.3 0 0.0 75 -1.8 0 0.0 0 0.0 10 26 72 A 78 PHE F H H X > TS+ 0 0 -61.1 -47.0 -178.5 48.7 111.6 11.2 68 -2.6 76 -2.4 0 0.0 75 -0.8 15 36 73 A 79 LEU L H H < 3 TS+ 0 0 -57.0 -42.8 178.6 49.8 111.7 24.8 69 -3.8 0 0.0 0 0.0 0 0.0 9 30 74 A 80 GLU E H H < 3 TS+ 0 0 -68.3 -26.1 -175.8 32.3 120.9 41.1 70 -3.0 0 0.0 0 0.0 0 0.0 6 25 75 A 81 ASN N H H < < TS+ 0 0 -109.4 -15.1 -175.3 109.1 86.5 49.6 71 -1.8 0 0.0 72 -0.8 0 0.0 9 32 76 A 82 ALA A h < T - 0 0 -65.6 146.8 172.6 -166.8 42.6 110.5 72 -2.4 0 0.0 0 0.0 0 0.0 12 39 77 A 83 SER S + 0 0 -99.0 -16.2 178.3 97.6 68.2 53.7 0 0.0 0 0.0 0 0.0 0 0.0 6 40 78 A 84 VAL V S S S- 0 0 -71.1 135.1 -177.1 -133.9 74.5 120.2 0 0.0 0 0.0 0 0.0 0 0.0 9 42 79 A 85 GLU E - 0 0 -97.6 145.2 177.7 -171.5 21.6 139.4 0 0.0 0 0.0 0 0.0 0 0.0 6 39 80 A 86 GLU E - 0 0 -131.7 154.0 179.1 -176.2 4.2 159.1 0 0.0 0 0.0 0 0.0 0 0.0 6 36 81 A 87 ALA A - 0 0 -154.3 134.6 178.8 -106.7 31.2 164.2 0 0.0 0 0.0 0 0.0 0 0.0 4 30 82 A 88 PRO P - 0 0 -56.0 146.3 -178.3 -111.7 38.8 96.1 0 0.0 84 -0.9 0 0.0 0 0.0 4 24 83 A 89 TYR Y + 0 0 -89.9 108.7 -178.5 136.5 61.7 140.8 0 0.0 0 0.0 0 0.0 0 0.0 6 25 84 A 90 THR T + 0 0 -112.2 -73.8 -179.5 47.2 58.1 46.5 82 -0.9 0 0.0 0 0.0 0 0.0 4 16 85 A 91 LYS K S S S- 0 0 -71.3 152.5 174.9 -106.6 97.4 115.3 0 0.0 0 0.0 0 0.0 0 0.0 4 15 86 A 92 PRO P - 0 0 -72.5 161.3 -174.5 -155.4 40.8 111.7 0 0.0 0 0.0 0 0.0 0 0.0 5 21 87 A 93 LYS K - 0 0 -146.7 150.2 176.4 -106.6 12.9 167.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27 88 A 94 THR T h > T - 0 0 -75.6 160.3 178.7 -112.4 29.1 113.4 0 0.0 92 -2.3 0 0.0 0 0.0 9 28 89 A 95 MET M H H > TS+ 0 0 -57.2 -47.9 177.1 47.5 120.7 17.5 0 0.0 93 -3.0 0 0.0 0 0.0 10 40 90 A 96 ASP D H H > TS+ 0 0 -59.8 -39.0 -179.0 53.3 108.9 25.1 0 0.0 94 -3.2 0 0.0 0 0.0 7 34 91 A 97 GLN Q H H > TS+ 0 0 -64.2 -36.7 -179.9 47.1 110.8 26.8 0 0.0 95 -1.5 0 0.0 0 0.0 8 35 92 A 98 LEU L H H X TS+ 0 0 -66.2 -46.2 178.9 49.7 112.0 19.7 88 -2.3 96 -2.8 0 0.0 0 0.0 11 48 93 A 99 MET M H H X TS+ 0 0 -59.1 -43.1 177.6 54.4 108.1 20.8 89 -3.0 97 -3.9 0 0.0 0 0.0 10 49 94 A 100 GLU E H H X TS+ 0 0 -59.4 -35.3 178.9 48.9 108.0 29.7 90 -3.2 98 -2.3 0 0.0 0 0.0 9 41 95 A 101 ASP D H H X TS+ 0 0 -68.7 -44.8 -177.6 48.3 112.8 18.2 91 -1.5 99 -2.5 0 0.0 0 0.0 8 44 96 A 102 LEU L H H X TS+ 0 0 -58.3 -51.3 -178.7 48.2 112.6 15.0 92 -2.8 100 -2.5 0 0.0 0 0.0 10 59 97 A 103 VAL V H H X TS+ 0 0 -58.8 -39.2 -177.6 53.5 108.5 27.4 93 -3.9 101 -2.9 0 0.0 0 0.0 11 50 98 A 104 GLY G H H X TS+ 0 0 -65.3 -40.2 179.1 49.0 108.6 19.3 94 -2.3 102 -2.5 0 0.0 0 0.0 8 46 99 A 105 THR T H H X TS+ 0 0 -63.9 -36.6 178.3 53.9 109.1 25.1 95 -2.5 103 -2.4 0 0.0 0 0.0 10 51 100 A 106 LEU L H H X TS+ 0 0 -60.6 -46.5 179.3 50.1 107.7 17.1 96 -2.5 104 -3.1 0 0.0 0 0.0 11 54 101 A 107 GLU E H H X TS+ 0 0 -61.3 -36.2 178.4 52.5 108.9 22.3 97 -2.9 105 -2.6 0 0.0 0 0.0 10 40 102 A 108 LEU L H H X TS+ 0 0 -64.3 -43.4 -178.3 46.6 110.8 19.5 98 -2.5 106 -2.9 0 0.0 0 0.0 9 43 103 A 109 LEU L H H X TS+ 0 0 -61.9 -43.2 177.9 52.5 111.3 20.4 99 -2.4 107 -3.2 0 0.0 0 0.0 9 55 104 A 110 ARG R H H X TS+ 0 0 -54.0 -52.9 -177.0 45.9 111.6 19.1 100 -3.1 108 -2.6 0 0.0 0 0.0 11 44 105 A 111 ASP D H H X TS+ 0 0 -63.6 -40.8 177.9 47.4 114.0 24.3 101 -2.6 109 -1.6 0 0.0 0 0.0 8 37 106 A 112 GLU E H H X TS+ 0 0 -68.5 -37.4 178.7 53.3 109.6 26.3 102 -2.9 110 -2.1 0 0.0 0 0.0 8 47 107 A 113 TYR Y H H X TS+ 0 0 -60.9 -41.9 178.3 58.4 102.8 22.0 103 -3.2 111 -2.5 0 0.0 0 0.0 11 51 108 A 114 LYS K H H X TS+ 0 0 -53.8 -43.1 177.2 48.3 106.9 21.6 104 -2.6 112 -2.0 0 0.0 0 0.0 9 36 109 A 115 GLN Q H H X TS+ 0 0 -60.8 -47.9 -176.0 49.7 110.7 25.9 105 -1.6 113 -3.0 0 0.0 0 0.0 8 37 110 A 116 GLY G H H X TS+ 0 0 -62.8 -29.0 -177.3 57.3 107.5 32.7 106 -2.1 114 -2.6 0 0.0 0 0.0 13 45 111 A 117 ILE I H H X TS+ 0 0 -69.2 -43.6 179.4 40.0 110.9 17.5 107 -2.5 115 -1.6 0 0.0 0 0.0 11 40 112 A 118 GLU E H H X TS+ 0 0 -65.0 -51.7 177.5 53.8 115.2 19.5 108 -2.0 116 -3.2 0 0.0 0 0.0 8 30 113 A 119 LEU L H H X TS+ 0 0 -45.8 -55.9 -175.8 42.0 112.7 27.9 109 -3.0 117 -2.7 0 0.0 0 0.0 10 32 114 A 120 THR T H H < >TS+ 0 0 -71.7 -28.8 172.6 52.8 112.6 40.9 110 -2.6 119 -2.1 0 0.0 0 0.0 13 36 115 A 121 ASP D H H < >5TS+ 0 0 -64.2 -60.2 177.0 44.5 113.6 10.4 111 -1.6 118 -1.8 0 0.0 0 0.0 10 26 116 A 122 LYS K H H < 35TS+ 0 0 -51.9 -44.3 179.1 46.6 116.5 30.6 112 -3.2 0 0.0 0 0.0 0 0.0 6 22 117 A 123 GLU E T h < 35TS- 0 0 -77.3 -9.6 -180.0 -124.0 110.9 58.4 113 -2.7 0 0.0 0 0.0 0 0.0 7 24 118 A 124 GLY G T T <5T + 0 0 78.9 19.0 179.3 143.0 60.6 45.6 115 -1.8 120 -1.4 0 0.0 0 0.0 6 21 119 A 125 ASP D h > TS+ 0 0 -60.1 -42.2 178.9 54.5 72.9 30.1 118 -1.4 124 -2.3 0 0.0 0 0.0 8 26 121 A 127 VAL V H H > TS+ 0 0 -61.4 -52.1 -179.4 42.4 111.0 14.2 0 0.0 125 -2.0 0 0.0 0 0.0 6 32 122 A 128 THR T H H > TS+ 0 0 -61.8 -34.8 179.0 57.9 112.0 26.0 0 0.0 126 -2.5 0 0.0 0 0.0 9 48 123 A 129 ASN N H H X TS+ 0 0 -57.3 -47.5 179.5 46.6 107.0 25.6 119 -2.2 127 -1.9 0 0.0 0 0.0 12 39 124 A 130 ASP D H H X TS+ 0 0 -64.4 -38.2 -178.0 54.6 109.5 28.0 120 -2.3 128 -2.3 0 0.0 0 0.0 8 32 125 A 131 MET M H H X TS+ 0 0 -59.6 -53.6 -178.5 46.3 109.4 17.5 121 -2.0 129 -2.4 0 0.0 0 0.0 8 47 126 A 132 LEU L H H X TS+ 0 0 -57.4 -37.6 -177.6 55.2 109.7 26.8 122 -2.5 130 -2.8 0 0.0 0 0.0 11 55 127 A 133 ILE I H H X TS+ 0 0 -65.0 -39.7 178.3 48.6 108.0 22.4 123 -1.9 131 -2.3 0 0.0 0 0.0 10 35 128 A 134 ALA A H H X TS+ 0 0 -65.2 -40.4 176.8 49.2 111.6 22.1 124 -2.3 132 -1.6 0 0.0 0 0.0 8 33 129 A 135 PHE F H H X TS+ 0 0 -64.2 -41.2 -179.6 51.4 111.0 25.7 125 -2.4 133 -2.3 0 0.0 0 0.0 9 46 130 A 136 LYS K H H X TS+ 0 0 -62.3 -39.8 -176.3 59.5 102.1 22.0 126 -2.8 134 -2.9 0 0.0 0 0.0 11 43 131 A 137 ALA A H H X TS+ 0 0 -53.7 -45.7 -179.1 43.4 110.0 19.3 127 -2.3 135 -1.3 0 0.0 0 0.0 8 30 132 A 138 SER S H H X TS+ 0 0 -67.4 -41.9 -179.6 53.3 110.3 26.6 128 -1.6 136 -2.9 0 0.0 0 0.0 8 37 133 A 139 ILE I H H X TS+ 0 0 -61.7 -39.8 -179.4 53.9 107.0 23.1 129 -2.3 137 -3.4 0 0.0 0 0.0 12 48 134 A 140 ASP D H H X TS+ 0 0 -60.8 -41.6 -179.1 48.7 108.6 28.5 130 -2.9 138 -2.4 0 0.0 0 0.0 9 36 135 A 141 LYS K H H X TS+ 0 0 -67.2 -43.8 177.8 48.4 112.2 19.1 131 -1.3 139 -2.5 0 0.0 0 0.0 8 34 136 A 142 HIS H H H X TS+ 0 0 -61.8 -44.8 178.1 54.9 108.2 20.1 132 -2.9 140 -3.2 0 0.0 0 0.0 9 45 137 A 143 ILE I H H X TS+ 0 0 -54.4 -43.4 178.0 49.2 108.1 15.5 133 -3.4 141 -2.4 0 0.0 0 0.0 12 41 138 A 144 TRP W H H X TS+ 0 0 -58.4 -49.5 -178.3 45.8 114.3 12.3 134 -2.4 142 -2.6 0 0.0 0 0.0 11 29 139 A 145 MET M H H X TS+ 0 0 -63.3 -43.6 -179.7 46.2 112.9 26.8 135 -2.5 143 -2.3 0 0.0 0 0.0 9 33 140 A 146 PHE F H H X TS+ 0 0 -70.4 -37.0 175.0 50.2 113.4 20.4 136 -3.2 144 -2.2 0 0.0 0 0.0 10 42 141 A 147 LYS K H H < >TS+ 0 0 -62.5 -40.7 178.9 51.6 109.3 22.8 137 -2.4 146 -3.2 0 0.0 0 0.0 12 31 142 A 148 ALA A H H < >5TS+ 0 0 -61.9 -43.1 175.7 52.3 107.7 20.6 138 -2.6 145 -1.9 0 0.0 0 0.0 10 24 143 A 149 PHE F H H < 35TS+ 0 0 -54.8 -44.9 179.3 50.0 110.0 23.4 139 -2.3 0 0.0 0 0.0 0 0.0 7 34 144 A 150 LEU L T h < 35TS- 0 0 -76.6 2.7 179.9 -109.7 122.5 64.5 140 -2.2 0 0.0 0 0.0 0 0.0 9 29 145 A 151 GLY G T T <5TS+ 0 0 80.7 11.4 -176.6 120.7 79.7 52.6 142 -1.9 0 0.0 0 0.0 0 0.0 6 20 146 A 152 LYS K t 5555< 5-turns 3-turns >33< >33< >>3<< >33< 3-turns bridge-2 bridge-2 bridge-1 bridge-1 sheets sheets 4-turns >>>>XXXXXXXXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXXXXXX<<<< >>>>X<<<< >>>>XXXXXXXXX 4-turns summary hHHHHHHHHHHHHHHHHHHHHHHHHHh tThHHHHHHHHHHHHHHHHHHHHHHHHHHHHhTt hHHHHHHHh S S hHHHHHHHHHHHH summary sequence VDTKEFLNHQVANLNVFTVKIHQIHWYMRGHNFFTLHEKMDDLYSEFGEQMDEVAERLLAIGGSPFSTLKEFLENASVEEAPYTKPKTMDQLMEDLVGTL sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand HHHHHHHHHHHHHHHHTT HHHHHHHHHHHHHHHHHHHHHHHHTT S Kabs/Sand chirality ++++++++++++++++-++++++++++++++++++++++++++-+--+ chirality bends SSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSSSSSSSSSSSSS S bends turns TTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTTT turns 5-turns >5555< >5555< 5-turns 3-turns >33< >33< 3-turns bridge-2 bridge-2 bridge-1 bridge-1 sheets sheets 4-turns XXXXXXXXXXXXX<<<< >>>>XXXXXXXXXXXXXXXXXX<<<< 4-turns summary HHHHHHHHHHHHHHHHhThHHHHHHHHHHHHHHHHHHHHHHHHhTt S summary sequence ELLRDEYKQGIELTDKEGDDVTNDMLIAFKASIDKHIWMFKAFLGKAPLE sequence 110 120 130 140 150