Secondary structure calculation program - copyright by David Keith Smith, 1989 1exqA.pdb 1EXQ VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; Sequence length - 147 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 56 SER S g > T 0 0 999.9 -142.3 179.7 999.9 999.9 999.9 0 0.0 4 -2.2 0 0.0 0 0.0 5 29 2 A 57 SER S G G > T + 0 0 -42.5 -39.0 179.9 67.0 999.9 37.0 0 0.0 5 -1.5 0 0.0 0 0.0 6 33 3 A 58 PRO P G G 3 TS+ 0 0 -55.9 -34.7 -178.0 37.8 107.0 32.7 0 0.0 0 0.0 0 0.0 0 0.0 9 41 4 A 59 GLY G G e < TS+ 0 0 -107.9 24.2 -179.3 116.2 87.3 83.0 1 -2.2 57 -2.6 0 0.0 56 -2.5 11 46 5 A 60 ILE I E E Aa < T + 57 0 -99.3 123.1 -179.5 170.4 35.8 145.4 2 -1.5 24 -0.9 0 0.0 0 0.0 14 47 6 A 61 TRP W E E AaB - 58 23 -130.1 148.9 176.3 -144.3 24.7 161.5 57 -2.5 59 -2.0 0 0.0 0 0.0 12 57 7 A 62 GLN Q E E AaB - 59 22 -110.9 137.6 -179.8 -161.0 15.0 157.4 22 -2.6 22 -3.0 0 0.0 0 0.0 12 56 8 A 63 LEU L E E A B + 0 21 -123.1 123.0 178.7 160.4 18.6 169.3 59 -2.7 0 0.0 0 0.0 0 0.0 12 66 9 A 64 ASP D E E A B - 0 20 -135.6 163.4 178.8 -123.1 30.6 156.3 20 -2.4 20 -3.0 0 0.0 0 0.0 10 61 10 A 65 CYS C E E A B - 0 19 -110.0 152.9 179.5 -171.7 19.8 143.8 0 0.0 0 0.0 0 0.0 0 0.0 8 54 11 A 66 THR T E E A B - 0 18 -137.5 149.3 179.8 -143.3 12.2 164.0 18 -2.3 18 -3.1 0 0.0 0 0.0 9 49 12 A 67 HIS H E E A B + 0 17 -126.0 133.2 -179.7 160.5 23.9 167.1 0 0.0 0 0.0 0 0.0 0 0.0 8 34 13 A 68 LEU L E E A B> T - 0 16 -149.3 132.0 177.7 -8.3 68.1 168.4 16 -1.6 16 -2.2 0 0.0 0 0.0 7 39 14 A 69 GLU E T T 3 TS- 0 0 51.7 40.0 -179.9 -54.4 127.0 34.1 0 0.0 0 0.0 0 0.0 0 0.0 4 26 15 A 70 GLY G T T 3 TS+ 0 0 72.4 10.1 -179.5 119.9 115.6 53.1 0 0.0 0 0.0 0 0.0 0 0.0 5 17 16 A 71 LYS K E E AB < T - 13 0 -107.6 157.6 178.9 -132.4 60.3 137.1 13 -2.2 13 -1.6 0 0.0 0 0.0 10 30 17 A 72 VAL V E E ABC - 12 34 -111.5 126.5 179.2 -170.1 20.0 159.6 34 -0.8 34 -2.9 0 0.0 0 0.0 13 39 18 A 73 ILE I E E ABC - 11 33 -117.4 128.2 176.4 -152.4 10.0 164.0 11 -3.1 11 -2.3 0 0.0 0 0.0 12 52 19 A 74 LEU L E E ABC - 10 32 -99.1 134.2 -179.8 -164.0 12.8 151.4 32 -2.6 32 -1.9 0 0.0 0 0.0 14 60 20 A 75 VAL V E E ABC - 9 31 -121.3 123.2 178.9 -166.8 5.0 169.1 9 -3.0 9 -2.4 0 0.0 22 -0.5 13 62 21 A 76 ALA A E E ABC - 8 30 -111.5 122.1 179.5 -165.9 7.7 161.2 30 -3.2 30 -2.0 0 0.0 0 0.0 11 70 22 A 77 VAL V E E ABC - 7 29 -111.7 129.0 177.2 -139.1 20.5 157.9 7 -3.0 7 -2.6 20 -0.5 24 -1.2 11 60 23 A 78 HIS H E E >AB > T - 6 0 -83.9 101.6 -176.8 -150.0 24.2 140.3 28 -3.1 27 -3.2 0 0.0 26 -1.4 13 52 24 A 79 VAL V T e 4 3 TS+ 0 0 -40.3 -56.4 -178.4 49.4 86.7 33.7 22 -1.2 0 0.0 5 -0.9 0 0.0 10 48 25 A 80 ALA A T T 4 3 TS+ 0 0 -62.4 -24.8 -178.1 26.4 125.4 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 40 26 A 81 SER S T T 4 < TS- 0 0 -111.0 -27.7 -177.3 -126.2 92.9 44.7 23 -1.4 0 0.0 0 0.0 0 0.0 10 43 27 A 82 GLY G t < T + 0 0 89.5 2.6 179.6 152.7 57.3 62.4 23 -3.2 0 0.0 0 0.0 0 0.0 9 50 28 A 83 TYR Y e - 0 0 -67.2 143.7 -177.8 -151.7 28.9 112.6 0 0.0 23 -3.1 0 0.0 0 0.0 13 53 29 A 84 ILE I E E AC - 22 0 -127.4 147.3 175.1 -174.4 25.5 157.2 0 0.0 0 0.0 0 0.0 0 0.0 11 63 30 A 85 GLU E E E AC + 21 0 -131.5 121.8 -179.2 169.6 25.9 173.1 21 -2.0 21 -3.2 0 0.0 0 0.0 9 62 31 A 86 ALA A E E AC + 20 0 -140.4 145.6 -178.0 170.6 7.6 175.8 0 0.0 0 0.0 0 0.0 0 0.0 11 60 32 A 87 GLU E E E AC - 19 0 -154.2 146.4 176.3 -114.5 35.2 175.6 19 -1.9 19 -2.6 0 0.0 0 0.0 11 48 33 A 88 VAL V E E AC - 18 0 -78.5 137.4 177.9 -162.4 36.2 130.9 0 0.0 0 0.0 0 0.0 0 0.0 10 47 34 A 89 ILE I E E AC - 17 0 -121.2 149.7 -179.2 -120.3 26.8 157.9 17 -2.9 17 -0.8 0 0.0 0 0.0 10 40 35 A 90 PRO P S S S- 0 0 -57.2 -34.6 179.2 -9.0 90.9 32.9 0 0.0 0 0.0 0 0.0 0 0.0 7 28 36 A 91 ALA A S S S- 0 0 -160.7 155.6 -179.7 -106.0 70.2 169.4 0 0.0 38 -1.8 0 0.0 0 0.0 7 31 37 A 92 GLU E S S S+ 0 0 -86.8 68.2 -178.8 133.2 71.3 118.2 0 0.0 0 0.0 0 0.0 0 0.0 9 38 38 A 93 THR T S h > TS- 0 0 -114.0 165.1 178.9 -109.8 71.7 134.6 36 -1.8 42 -2.4 0 0.0 0 0.0 8 37 39 A 94 GLY G H H > TS+ 0 0 -60.3 -40.4 -179.3 55.6 118.0 25.2 0 0.0 43 -2.8 0 0.0 0 0.0 14 36 40 A 95 GLN Q H H > TS+ 0 0 -59.7 -46.8 -179.9 39.1 112.8 22.5 0 0.0 44 -1.8 0 0.0 0 0.0 9 30 41 A 96 GLU E H H > TS+ 0 0 -74.5 -31.4 179.2 51.9 115.9 33.9 0 0.0 45 -2.2 0 0.0 0 0.0 11 40 42 A 97 THR T H H X TS+ 0 0 -70.0 -39.9 178.6 50.8 109.0 25.6 38 -2.4 46 -2.4 0 0.0 0 0.0 12 52 43 A 98 ALA A H H X TS+ 0 0 -62.6 -42.5 179.1 51.6 109.4 25.3 39 -2.8 47 -2.4 0 0.0 0 0.0 12 51 44 A 99 TYR Y H H X TS+ 0 0 -59.4 -49.6 179.7 47.7 110.5 19.3 40 -1.8 48 -2.3 0 0.0 0 0.0 8 42 45 A 100 PHE F H H X TS+ 0 0 -58.3 -43.3 -179.0 48.7 112.9 25.7 41 -2.2 49 -2.4 0 0.0 0 0.0 10 49 46 A 101 LEU L H H X TS+ 0 0 -66.8 -38.4 178.8 51.0 109.7 28.1 42 -2.4 50 -2.8 0 0.0 0 0.0 10 59 47 A 102 LEU L H H X TS+ 0 0 -66.2 -37.6 178.6 50.9 110.4 26.9 43 -2.4 51 -1.4 0 0.0 0 0.0 11 42 48 A 103 LYS K H H X TS+ 0 0 -63.6 -46.9 -180.0 45.5 112.5 18.3 44 -2.3 52 -0.6 0 0.0 0 0.0 8 36 49 A 104 LEU L H H X > TS+ 0 0 -60.6 -48.0 -178.4 54.6 109.9 21.7 45 -2.4 53 -1.7 0 0.0 52 -1.4 10 46 50 A 105 ALA A H H < 3 TS+ 0 0 -60.1 -28.8 179.8 53.7 104.7 40.7 46 -2.8 0 0.0 0 0.0 0 0.0 10 43 51 A 106 GLY G H H < 3 TS+ 0 0 -82.7 -10.7 -177.5 44.3 112.8 50.6 47 -1.4 0 0.0 0 0.0 0 0.0 7 25 52 A 107 ARG R H H < < TS+ 0 0 -103.9 -26.7 179.3 20.2 122.5 44.9 49 -1.4 0 0.0 48 -0.6 0 0.0 6 30 53 A 108 TRP W S h < TS- 0 0 -140.8 157.6 179.8 -93.1 90.4 162.0 49 -1.7 55 -1.8 0 0.0 0 0.0 7 45 54 A 109 PRO P - 0 0 -75.6 82.5 -179.5 -174.3 48.8 122.1 0 0.0 56 -0.5 0 0.0 0 0.0 8 44 55 A 110 VAL V + 0 0 -83.5 119.9 -179.5 154.2 21.0 133.8 53 -1.8 0 0.0 0 0.0 0 0.0 11 49 56 A 111 LYS K e + 0 0 -113.0 -36.8 -178.4 18.7 65.2 44.0 4 -2.5 81 -2.5 54 -0.5 0 0.0 10 42 57 A 112 THR T E E Aad - 5 81 -141.8 142.6 177.5 -165.1 59.8 176.4 4 -2.6 6 -2.5 0 0.0 0 0.0 11 43 58 A 113 ILE I E E Aad - 6 82 -129.1 145.4 178.4 -155.6 9.0 163.8 81 -2.1 83 -2.0 0 0.0 60 -0.5 13 54 59 A 114 HIS H E E Aa + 7 0 -119.0 119.7 -178.8 164.5 28.6 171.8 6 -2.0 8 -2.7 0 0.0 0 0.0 13 45 60 A 115 THR T - 0 0 -122.1 -171.3 178.2 -100.5 53.0 122.0 58 -0.5 86 -1.5 0 0.0 0 0.0 13 48 61 A 116 ASP D - 0 0 -93.8 0.5 178.4 -131.6 49.0 64.8 0 0.0 0 0.0 0 0.0 0 0.0 8 37 62 A 117 ASN N + 0 0 57.1 27.9 179.5 153.6 52.8 42.8 0 0.0 0 0.0 0 0.0 0 0.0 8 36 63 A 118 GLY G g > T - 0 0 -74.0 -169.3 -177.1 -68.2 61.5 84.1 0 0.0 66 -1.6 0 0.0 0 0.0 7 35 64 A 119 SER S G G > > TS+ 0 0 -53.7 -38.6 -179.4 65.9 124.9 36.7 0 0.0 67 -1.8 0 0.0 68 -0.8 8 24 65 A 120 ASN N G G 4 3 TS+ 0 0 -71.5 15.1 179.5 49.4 105.0 70.8 0 0.0 0 0.0 0 0.0 0 0.0 12 38 66 A 121 PHE F G G 4 < TS+ 0 0 -128.2 -5.5 180.0 69.9 94.0 68.3 63 -1.6 0 0.0 0 0.0 0 0.0 11 42 67 A 122 THR T T g 4 < TS+ 0 0 -85.7 -25.2 179.9 88.9 82.1 43.5 64 -1.8 0 0.0 0 0.0 0 0.0 10 26 68 A 123 GLY G S h X TS- 0 0 -71.9 153.6 180.0 -120.4 89.0 112.7 64 -0.8 72 -1.1 0 0.0 0 0.0 9 24 69 A 124 ALA A H H > TS+ 0 0 -71.0 -3.9 -178.8 81.6 102.0 58.8 0 0.0 73 -2.1 0 0.0 0 0.0 8 24 70 A 125 THR T H H > TS+ 0 0 -66.8 -59.8 179.3 33.4 96.9 11.3 0 0.0 74 -2.0 0 0.0 0 0.0 10 29 71 A 126 VAL V H H > TS+ 0 0 -65.0 -36.5 -179.6 55.2 118.6 28.6 0 0.0 75 -2.7 0 0.0 0 0.0 14 43 72 A 127 ARG R H H X TS+ 0 0 -62.8 -41.1 179.7 47.7 109.0 23.8 68 -1.1 76 -2.2 0 0.0 0 0.0 10 38 73 A 128 ALA A H H X TS+ 0 0 -66.7 -38.3 -180.0 50.2 111.7 29.8 69 -2.1 77 -2.6 0 0.0 0 0.0 8 28 74 A 129 ALA A H H X TS+ 0 0 -67.2 -44.5 179.7 46.5 111.9 21.7 70 -2.0 78 -2.5 0 0.0 0 0.0 11 35 75 A 130 CYS C H H X >TS+ 0 0 -64.1 -38.3 179.7 51.2 112.9 26.4 71 -2.7 80 -3.1 0 0.0 79 -1.0 14 44 76 A 131 ASP D H H < >5TS+ 0 0 -61.0 -53.3 -179.7 46.4 111.6 14.6 72 -2.2 79 -0.9 0 0.0 0 0.0 9 29 77 A 132 TRP W H H < 35TS+ 0 0 -56.3 -42.5 -178.0 43.9 116.8 30.8 73 -2.6 0 0.0 0 0.0 0 0.0 7 26 78 A 133 ALA A H H < 35TS- 0 0 -84.9 -7.8 -179.9 -114.3 112.9 56.7 74 -2.5 0 0.0 0 0.0 0 0.0 8 31 79 A 134 GLY G T h < <5T + 0 0 77.9 33.3 179.8 150.3 63.7 31.5 75 -1.0 0 0.0 76 -0.9 0 0.0 7 30 80 A 135 ILE I tTS+ 0 0 -109.8 -61.8 179.3 43.5 92.3 38.6 0 0.0 96 -4.3 0 0.0 0 0.0 7 44 93 A 155 ASN N H H > TS+ 0 0 -54.1 -38.0 179.0 46.4 121.0 28.0 0 0.0 97 -2.3 0 0.0 0 0.0 10 46 94 A 156 LYS K H H > TS+ 0 0 -68.0 -49.9 180.0 46.2 114.3 17.1 0 0.0 98 -2.6 0 0.0 0 0.0 9 30 95 A 157 GLU E H H > TS+ 0 0 -57.8 -45.9 179.5 46.6 115.2 23.1 0 0.0 99 -2.2 0 0.0 0 0.0 8 42 96 A 158 LEU L H H X TS+ 0 0 -63.5 -40.4 178.8 51.5 112.0 25.6 92 -4.3 100 -2.6 0 0.0 0 0.0 11 50 97 A 159 LYS K H H X TS+ 0 0 -63.5 -35.8 179.7 55.6 106.7 29.6 93 -2.3 101 -2.5 0 0.0 0 0.0 8 45 98 A 160 LYS K H H X TS+ 0 0 -62.0 -49.6 -179.6 42.3 110.7 18.5 94 -2.6 102 -1.7 0 0.0 0 0.0 8 30 99 A 161 ILE I H H X TS+ 0 0 -64.2 -42.8 179.7 53.9 112.9 23.7 95 -2.2 103 -1.5 0 0.0 0 0.0 11 36 100 A 162 ILE I H H X TS+ 0 0 -57.4 -44.1 -180.0 49.7 108.4 23.9 96 -2.6 104 -2.0 0 0.0 0 0.0 12 44 101 A 163 GLY G H H < TS+ 0 0 -63.2 -35.3 -179.6 54.0 108.4 30.0 97 -2.5 0 0.0 0 0.0 0 0.0 8 32 102 A 164 GLN Q H H < TS+ 0 0 -70.3 -27.2 -179.3 26.2 123.1 40.0 98 -1.7 0 0.0 0 0.0 0 0.0 7 27 103 A 165 VAL V H H < > TS+ 0 0 -115.5 -3.1 -178.8 101.5 90.7 63.6 99 -1.5 106 -2.5 0 0.0 0 0.0 11 27 104 A 166 ARG R G h < > TS+ 0 0 -50.0 -41.7 -179.0 54.9 81.0 32.1 100 -2.0 107 -1.2 0 0.0 0 0.0 9 29 105 A 167 ASP D G G 3 TS+ 0 0 -73.7 -3.2 180.0 65.2 98.6 58.1 0 0.0 0 0.0 0 0.0 0 0.0 7 22 106 A 168 GLN Q G G < TS+ 0 0 -93.9 -10.7 -179.4 57.3 99.1 54.8 103 -2.5 0 0.0 0 0.0 0 0.0 6 19 107 A 169 ALA A g < T - 0 0 -123.4 147.2 179.5 -143.3 69.4 157.6 104 -1.2 0 0.0 0 0.0 0 0.0 9 21 108 A 170 GLU E S S S+ 0 0 -68.1 -57.0 -178.8 38.8 89.6 11.4 0 0.0 0 0.0 0 0.0 0 0.0 6 17 109 A 171 HIS H S h > > TS- 0 0 -99.3 146.9 -180.0 -125.3 81.5 135.3 0 0.0 113 -1.2 0 0.0 112 -1.0 6 26 110 A 172 LEU L H H > 3 TS+ 0 0 -53.8 -41.2 -179.0 66.8 106.1 30.2 0 0.0 114 -2.6 0 0.0 0 0.0 8 36 111 A 173 LYS K H H > 3 TS+ 0 0 -51.1 -39.8 179.9 48.9 100.5 32.9 0 0.0 115 -1.7 0 0.0 0 0.0 8 38 112 A 174 THR T H H > < TS+ 0 0 -69.2 -42.2 179.3 50.0 110.4 24.1 109 -1.0 116 -2.2 0 0.0 0 0.0 9 33 113 A 175 ALA A H H X TS+ 0 0 -62.4 -40.9 179.3 56.2 106.8 26.4 109 -1.2 117 -2.5 0 0.0 0 0.0 13 36 114 A 176 VAL V H H X TS+ 0 0 -57.1 -46.5 -179.7 44.9 109.9 21.1 110 -2.6 118 -2.1 0 0.0 0 0.0 12 47 115 A 177 GLN Q H H X TS+ 0 0 -68.7 -34.3 178.5 53.9 110.0 29.8 111 -1.7 119 -2.3 0 0.0 0 0.0 10 42 116 A 178 MET M H H X TS+ 0 0 -63.9 -39.4 -179.7 48.5 110.7 21.9 112 -2.2 120 -2.4 0 0.0 0 0.0 10 36 117 A 179 ALA A H H X TS+ 0 0 -66.5 -40.9 178.3 51.5 108.7 28.7 113 -2.5 121 -2.7 0 0.0 0 0.0 12 47 118 A 180 VAL V H H X TS+ 0 0 -61.2 -44.2 178.8 50.6 110.7 21.3 114 -2.1 122 -2.8 0 0.0 0 0.0 12 47 119 A 181 PHE F H H X TS+ 0 0 -57.4 -51.2 -179.6 46.4 111.6 19.4 115 -2.3 123 -1.6 0 0.0 0 0.0 8 38 120 A 182 ILE I H H X TS+ 0 0 -60.5 -45.2 180.0 48.9 113.9 21.3 116 -2.4 124 -1.0 0 0.0 0 0.0 9 37 121 A 183 HIS H H H < > TS+ 0 0 -62.0 -46.8 -178.0 45.4 112.8 20.9 117 -2.7 124 -0.6 0 0.0 0 0.0 12 45 122 A 184 ASN N H H < 3 TS+ 0 0 -72.4 -20.2 -179.8 47.7 114.7 44.2 118 -2.8 135 -2.2 0 0.0 0 0.0 11 40 123 A 185 LYS K H H < 3 TS+ 0 0 -95.6 -8.6 -179.6 117.9 85.2 56.4 119 -1.6 0 0.0 0 0.0 0 0.0 9 31 124 A 186 LYS K h < < T - 0 0 -62.3 133.6 178.8 -170.7 44.0 110.0 120 -1.0 134 -0.6 121 -0.6 0 0.0 9 31 125 A 187 ARG R - 0 0 -105.9 -158.7 179.4 -128.5 24.6 99.6 0 0.0 0 0.0 0 0.0 0 0.0 9 23 126 A 188 LYS K S S S- 0 0 -153.9 51.7 -179.7 -36.5 72.9 103.1 0 0.0 0 0.0 0 0.0 0 0.0 8 19 127 A 189 GLY G S S S- 0 0 112.2 163.8 179.9 -71.5 76.0 109.0 0 0.0 0 0.0 0 0.0 0 0.0 6 12 128 A 190 GLY G S S S+ 0 0 -69.7 -149.6 -179.9 44.8 103.0 68.4 0 0.0 130 -0.7 0 0.0 0 0.0 6 10 129 A 191 ILE I S S S- 0 0 49.7 -95.7 179.6 -17.0 135.0 105.2 0 0.0 0 0.0 0 0.0 0 0.0 4 10 130 A 192 GLY G S S S+ 0 0 -100.0 -79.8 -179.9 141.6 76.3 34.0 128 -0.7 132 -3.2 0 0.0 0 0.0 6 15 131 A 193 GLY G - 0 0 70.3 -64.8 -179.7 -151.2 47.3 108.8 0 0.0 0 0.0 0 0.0 0 0.0 8 20 132 A 194 TYR Y - 0 0 64.0 125.6 179.4 -121.2 5.4 43.6 130 -3.2 0 0.0 0 0.0 0 0.0 10 25 133 A 195 SER S h > T - 0 0 -89.7 166.3 179.8 -107.5 26.1 117.4 0 0.0 137 -2.7 0 0.0 0 0.0 11 31 134 A 196 ALA A H H > TS+ 0 0 -61.4 -35.6 179.4 57.0 122.4 28.8 124 -0.6 138 -2.5 0 0.0 0 0.0 14 38 135 A 197 GLY G H H > TS+ 0 0 -64.0 -37.0 178.4 42.1 110.2 31.3 122 -2.2 139 -1.2 0 0.0 0 0.0 11 37 136 A 198 GLU E H H > TS+ 0 0 -76.9 -36.9 -179.3 55.9 112.3 29.2 0 0.0 140 -2.0 0 0.0 0 0.0 8 33 137 A 199 ARG R H H X TS+ 0 0 -62.9 -43.2 -179.7 49.1 105.8 25.2 133 -2.7 141 -2.2 0 0.0 0 0.0 11 34 138 A 200 ILE I H H X TS+ 0 0 -63.9 -45.0 -179.9 48.4 112.0 18.0 134 -2.5 142 -2.3 0 0.0 0 0.0 13 41 139 A 201 VAL V H H X TS+ 0 0 -61.4 -38.1 179.7 50.5 111.5 29.2 135 -1.2 143 -2.1 0 0.0 0 0.0 8 34 140 A 202 ASP D H H X TS+ 0 0 -65.5 -45.7 179.8 49.5 110.3 22.3 136 -2.0 144 -2.5 0 0.0 0 0.0 8 29 141 A 203 ILE I H H < TS+ 0 0 -59.8 -48.8 -179.6 41.4 115.6 22.4 137 -2.2 0 0.0 0 0.0 0 0.0 10 30 142 A 204 ILE I H H X > TS+ 0 0 -69.5 -35.8 -179.9 53.2 114.2 30.6 138 -2.3 146 -1.5 0 0.0 145 -1.2 9 31 143 A 205 ALA A H H X 3 TS+ 0 0 -64.4 -47.9 -179.4 48.3 108.6 19.5 139 -2.1 147 -0.6 0 0.0 0 0.0 8 20 144 A 206 THR T H H < 3 TS+ 0 0 -81.8 25.8 179.5 48.4 115.1 85.8 140 -2.5 0 0.0 0 0.0 0 0.0 7 18 145 A 207 ASP D H H 4 < TS+ 0 0 -132.9 -27.9 179.5 53.0 103.9 59.0 142 -1.2 0 0.0 0 0.0 0 0.0 7 21 146 A 208 ILE I H H < T 0 0 -89.0 -4.9 -179.7 999.9 999.9 60.6 142 -1.5 0 0.0 0 0.0 0 0.0 5 17 147 A 209 GLN Q h < T 0 0 -116.1 999.9 999.9 999.9 999.9 119.6 143 -0.6 0 0.0 0 0.0 0 0.0 4 10 1exqA.pdb 1EXQ VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand GGGEEEEEEEEETTEEEEEEEETTT EEEEEESSSSHHHHHHHHHHHHHHS EEE GGGTSHHHHHHHHHHT EE S SSHHHHHHHH Kabs/Sand chirality ++++--+---+--+--------++-+--++-----+-++++++++++++++--++--+--+-++++-+++++++++-+--+---- -++++++++++ chirality bends SS SS SSS SSSSSSSSSSSSSSSSSSS SSSSSSSSSSSSSSS S SSSSSSSSSS bends turns TTTTT TTTT TTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTTTTT TTTTTTTTT turns 5-turns >5555< 5-turns 3-turns >>3<< >33< >33< >33< >>3<< >33< 3-turns bridge-2 BBBBBBBB CCCCCC dd bridge-2 bridge-1 aaa BBBBBBBB CCCCCC aaa dd bridge-1 sheets AAAAAAAAA AAAAAAAA AAAAAA AAA AA sheets 4-turns >444< >>>>XXXXXXXX<<<< >444X>>>XXXX<<<< >>>>XXXXX 4-turns summary gGGeEEEEEEEEETTEEEEEEEEeTTteEEEEEESSShHHHHHHHHHHHHHHh eEEE gGGGghHHHHHHHHHHhtEEeS ShHHHHHHHH summary sequence SSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTGATVRAACDWAGIKQEDGIPYVESMNKELKKII sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand HHHGGG SSHHHHHHHHHHHHHH SSSSS HHHHHHHHHHHHH Kabs/Sand chirality ++++++-+-++++++++++++++----+-+---++++++++++++ chirality bends SSSSSS SSSSSSSSSSSSSSSS SSSSS SSSSSSSSSSSS bends turns TTTTTTT TTTTTTTTTTTTTTTT TTTTTTTTTTTTTTT turns 5-turns 5-turns 3-turns >>3<< >33< >33< >33< 3-turns bridge-2 bridge-2 bridge-1 bridge-1 sheets sheets 4-turns <<<< >>>>XXXXXXXX<<<< >>>>XXXX