Secondary structure calculation program - copyright by David Keith Smith, 1989 1jsdA.pdb 1JSD VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; Sequence length - 317 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 ASP D 0 0 999.9 150.2 -179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 3 2 A 2 LYS K - 0 0 -156.0 158.8 177.9 -149.1 999.9 173.7 0 0.0 0 0.0 0 0.0 0 0.0 3 5 3 A 3 ILE I - 0 0 -133.2 136.2 -177.3 -163.7 19.7 175.5 0 0.0 0 0.0 0 0.0 0 0.0 4 6 4 A 4 CYS C - 0 0 -122.8 153.4 177.8 -137.2 14.5 152.3 0 0.0 0 0.0 0 0.0 0 0.0 4 7 5 A 5 ILE I + 0 0 -107.5 137.2 -179.4 153.9 37.3 152.3 0 0.0 0 0.0 0 0.0 0 0.0 4 7 6 A 6 GLY G - 0 0 -150.0 -176.6 -179.6 -128.6 30.4 151.4 0 0.0 0 0.0 0 0.0 0 0.0 4 14 7 A 7 TYR Y - 0 0 -141.6 159.8 -177.2 -84.8 34.3 162.7 0 0.0 0 0.0 0 0.0 0 0.0 4 18 8 A 8 GLN Q - 0 0 -71.9 142.6 176.4 -174.9 31.2 108.0 0 0.0 0 0.0 0 0.0 0 0.0 6 21 9 A 9 SER S + 0 0 -129.3 144.9 179.7 176.1 12.3 163.6 0 0.0 0 0.0 0 0.0 0 0.0 9 25 10 A 10 THR T - 0 0 -141.6 177.7 179.1 -103.8 45.3 148.7 0 0.0 0 0.0 0 0.0 0 0.0 7 24 11 A 11 ASN N + 0 0 -91.4 18.0 178.2 140.3 69.2 81.0 0 0.0 0 0.0 0 0.0 0 0.0 5 22 12 A 12 SER S - 0 0 -58.6 141.4 177.9 -162.7 40.7 109.2 0 0.0 0 0.0 0 0.0 0 0.0 9 26 13 A 13 THR T + 0 0 -108.8 7.9 179.7 127.5 48.2 74.1 0 0.0 0 0.0 0 0.0 0 0.0 7 28 14 A 14 GLU E e - 0 0 -65.5 143.4 178.0 -177.9 35.4 110.0 0 0.0 26 -2.2 0 0.0 0 0.0 9 32 15 A 15 THR T E E AA - 25 0 -140.9 154.0 178.4 -167.6 7.8 165.8 0 0.0 0 0.0 0 0.0 0 0.0 10 35 16 A 16 VAL V E E AA - 24 0 -136.4 166.1 179.0 -125.1 16.6 154.5 24 -2.1 24 -3.2 0 0.0 0 0.0 13 33 17 A 17 ASP D + 0 0 -114.0 154.8 176.3 179.3 21.2 144.3 0 0.0 0 0.0 0 0.0 0 0.0 9 31 18 A 18 THR T - 0 0 -135.0 -176.3 -179.8 -98.0 46.4 137.6 21 -2.9 0 0.0 0 0.0 0 0.0 7 21 19 A 19 LEU L S S S+ 0 0 -79.3 -27.7 -178.7 41.4 122.9 36.0 0 0.0 0 0.0 0 0.0 0 0.0 5 13 20 A 20 THR T S S S+ 0 0 -101.2 7.7 -179.4 19.1 125.8 71.1 0 0.0 0 0.0 0 0.0 0 0.0 4 11 21 A 21 GLU E - 0 0 -173.3 142.2 179.6 -146.9 63.3 154.5 0 0.0 18 -2.9 0 0.0 0 0.0 7 14 22 A 22 THR T S S S+ 0 0 -119.3 152.8 -179.1 20.1 76.5 151.1 0 0.0 0 0.0 0 0.0 0 0.0 8 20 23 A 23 ASN N S S S+ 0 0 60.0 44.7 178.8 179.9 73.8 25.7 0 0.0 0 0.0 0 0.0 0 0.0 7 26 24 A 24 VAL V E E AA - 16 0 -76.4 123.9 179.9 -124.3 28.3 130.6 16 -3.2 16 -2.1 0 0.0 0 0.0 10 32 25 A 25 PRO P E E AA - 15 0 -71.3 135.1 178.7 -176.8 35.3 121.5 0 0.0 313 -2.3 0 0.0 0 0.0 12 32 26 A 26 VAL V B e A - 312 0 -133.2 155.7 -179.7 -132.3 35.0 160.3 14 -2.2 0 0.0 0 0.0 0 0.0 15 32 27 A 27 THR T S S S+ 0 0 -72.7 -35.1 -179.4 12.6 94.0 32.0 311 -2.3 0 0.0 0 0.0 0 0.0 16 30 28 A 28 HIS H e + 0 0 -146.0 141.9 179.5 166.6 67.7 177.2 0 0.0 310 -2.5 0 0.0 309 -2.4 10 30 29 A 29 ALA A E E BB - 308 0 -148.9 163.6 179.0 -137.2 23.1 162.9 0 0.0 0 0.0 0 0.0 0 0.0 13 31 30 A 30 LYS K E E BB - 307 0 -132.2 123.0 178.1 -138.1 13.7 168.2 307 -2.7 307 -2.9 0 0.0 0 0.0 8 32 31 A 31 GLU E E E BB - 306 0 -76.4 123.3 -179.3 -174.8 17.4 130.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33 32 A 32 LEU L e + 0 0 -96.8 -5.6 -178.1 86.9 57.3 60.2 305 -2.5 285 -1.8 0 0.0 34 -0.5 11 35 33 A 33 LEU L E E Cc - 285 0 -104.3 124.9 178.0 -152.0 63.5 149.1 0 0.0 0 0.0 0 0.0 0 0.0 13 34 34 A 34 HIS H E E Cc + 286 0 -90.8 128.9 -177.4 169.6 20.4 142.8 285 -2.6 287 -1.6 32 -0.5 0 0.0 12 40 35 A 35 THR T + 0 0 -122.5 2.3 -178.7 90.9 41.7 66.1 0 0.0 0 0.0 0 0.0 0 0.0 8 39 36 A 36 SER S + 0 0 -105.4 153.4 177.9 173.0 41.0 135.8 0 0.0 0 0.0 0 0.0 0 0.0 6 38 37 A 37 HIS H - 0 0 -147.5 162.4 -177.9 -117.9 38.7 161.8 0 0.0 0 0.0 0 0.0 0 0.0 9 44 38 A 38 ASN N - 0 0 -87.5 4.4 179.6 -126.2 40.2 68.2 278 -2.3 0 0.0 0 0.0 0 0.0 7 34 39 A 39 GLY G S S S+ 0 0 58.7 25.1 179.9 104.1 73.7 42.8 0 0.0 0 0.0 0 0.0 0 0.0 9 33 40 A 40 MET M S S S- 0 0 -135.2 162.2 176.1 -119.7 74.2 156.1 0 0.0 42 -0.7 0 0.0 0 0.0 11 41 41 A 41 LEU L E E Dd + 265 0 -99.5 116.2 -178.6 167.3 49.1 155.3 264 -2.1 266 -2.3 0 0.0 0 0.0 14 54 42 A 42 CYS C E E D* - 0 0 -121.5 -176.8 177.8 -84.4 38.5 126.7 40 -0.7 0 0.0 0 0.0 0 0.0 15 46 43 A 43 ALA A E E Dd - 269 0 -86.0 157.5 178.5 -155.9 40.0 122.3 268 -2.5 270 -2.7 0 0.0 0 0.0 13 49 44 A 44 THR T B B B > T - 47 0 -117.7 -169.3 178.9 -74.9 45.9 119.9 47 -2.2 47 -2.0 0 0.0 0 0.0 13 46 45 A 45 ASN N T T 3 TS+ 0 0 -64.8 -14.3 179.3 57.1 133.7 47.7 0 0.0 0 0.0 0 0.0 0 0.0 9 33 46 A 46 LEU L T T 3 TS- 0 0 -95.9 0.8 179.1 -108.8 116.6 66.1 0 0.0 0 0.0 0 0.0 0 0.0 9 38 47 A 47 GLY G B B B < T - 44 0 111.6 -167.2 -178.6 -18.7 54.9 130.1 44 -2.0 44 -2.2 0 0.0 0 0.0 8 39 48 A 48 HIS H - 0 0 -84.1 148.1 179.7 -113.1 63.3 120.6 0 0.0 77 -1.0 0 0.0 0 0.0 10 45 49 A 49 PRO P - 0 0 -78.1 157.6 176.7 -115.9 22.9 112.1 0 0.0 51 -0.8 0 0.0 0 0.0 11 59 50 A 50 LEU L E E Ee - 79 0 -91.8 112.2 -179.1 -158.4 34.2 149.0 78 -2.8 80 -2.9 0 0.0 52 -0.7 11 60 51 A 51 ILE I E E Ee - 80 0 -101.1 114.2 -179.2 -164.9 7.0 149.1 49 -0.8 53 -0.8 0 0.0 0 0.0 8 53 52 A 52 LEU L E E Ee + 81 0 -99.6 102.1 -179.3 162.3 19.3 146.5 80 -3.4 82 -2.7 50 -0.7 0 0.0 12 50 53 A 53 ASP D S S S+ 0 0 -92.7 -23.4 -179.9 13.3 80.2 42.6 51 -0.8 0 0.0 0 0.0 0 0.0 9 36 54 A 54 THR T S S S+ 0 0 -124.2 -20.2 -178.6 60.7 119.1 53.2 0 0.0 87 -2.5 0 0.0 86 -1.1 10 34 55 A 55 CYS C B B c - 87 0 -117.6 142.9 178.8 -138.3 67.2 152.6 0 0.0 0 0.0 0 0.0 0 0.0 14 44 56 A 56 THR T h > T - 0 0 -88.4 166.1 -179.5 -100.7 36.4 117.6 87 -2.0 60 -2.1 0 0.0 0 0.0 12 48 57 A 57 ILE I H H > TS+ 0 0 -54.2 -46.4 179.9 45.9 124.9 23.7 0 0.0 61 -2.6 0 0.0 0 0.0 11 68 58 A 58 GLU E H H > TS+ 0 0 -68.1 -29.8 178.4 58.2 107.5 32.8 0 0.0 62 -2.7 0 0.0 0 0.0 11 64 59 A 59 GLY G H H > >TS+ 0 0 -63.4 -39.2 179.1 44.2 110.5 24.7 0 0.0 64 -3.1 0 0.0 63 -0.7 13 65 60 A 60 LEU L H H < 5TS+ 0 0 -68.2 -48.9 -179.1 50.3 113.3 20.6 56 -2.1 0 0.0 0 0.0 0 0.0 13 64 61 A 61 ILE I H H < 5TS+ 0 0 -57.4 -49.4 -179.8 38.2 117.3 21.9 57 -2.6 0 0.0 0 0.0 0 0.0 9 75 62 A 62 TYR Y H H < 5TS- 0 0 -79.9 -9.4 178.8 -117.5 114.0 55.0 58 -2.7 140 -1.5 0 0.0 0 0.0 12 72 63 A 63 GLY G T h < 5T - 0 0 75.7 45.9 177.4 -155.1 27.3 22.3 59 -0.7 139 -1.8 0 0.0 0 0.0 13 61 64 A 64 ASN N t >T + 0 0 -57.1 -28.8 179.4 71.3 62.5 38.5 0 0.0 71 -1.8 0 0.0 0 0.0 8 36 69 A 69 LEU L G G 3 TS+ 0 0 -60.1 -18.2 -178.9 52.1 98.8 43.1 0 0.0 0 0.0 0 0.0 0 0.0 5 31 70 A 70 LEU L G G X TS+ 0 0 -96.8 -4.7 -179.4 90.1 81.8 59.2 67 -2.3 73 -1.4 0 0.0 0 0.0 8 44 71 A 71 LEU L T g < TS+ 0 0 -60.9 -31.6 -178.2 66.8 76.7 35.9 68 -1.8 0 0.0 0 0.0 0 0.0 9 39 72 A 72 GLY G T T 3 TS- 0 0 -68.5 -13.0 -179.8 -108.5 109.9 52.9 0 0.0 0 0.0 0 0.0 0 0.0 7 30 73 A 73 GLY G t < T - 0 0 98.5 148.9 -179.7 -148.5 32.9 86.2 70 -1.4 0 0.0 0 0.0 0 0.0 9 40 74 A 74 ARG R E E FF - 111 0 -146.6 167.7 175.1 -149.1 6.6 157.6 111 -0.8 111 -1.7 0 0.0 0 0.0 9 42 75 A 75 GLU E E E FF + 110 0 -138.7 147.4 -176.1 173.0 25.4 167.6 0 0.0 0 0.0 0 0.0 0 0.0 8 44 76 A 76 TRP W e - 0 0 -153.5 167.2 177.8 -141.1 43.3 165.7 109 -2.4 0 0.0 0 0.0 0 0.0 13 46 77 A 77 SER S S S S- 0 0 -96.7 -38.9 177.4 -12.0 94.4 41.5 48 -1.0 255 -3.2 0 0.0 0 0.0 15 50 78 A 78 TYR Y S e S- 0 0 -155.0 167.2 -179.0 -112.9 70.5 162.8 0 0.0 50 -2.8 0 0.0 0 0.0 15 58 79 A 79 ILE I E E Eeg - 50 258 -113.2 138.7 178.1 -164.4 17.7 153.6 257 -2.3 259 -3.2 0 0.0 0 0.0 14 64 80 A 80 VAL V E E Eeg - 51 259 -121.3 122.6 178.3 -164.4 2.9 170.5 50 -2.9 52 -3.4 0 0.0 82 -0.7 12 59 81 A 81 GLU E E E Ee - 52 0 -108.9 109.5 179.9 -146.4 15.7 158.1 259 -3.3 0 0.0 0 0.0 0 0.0 15 44 82 A 82 ARG R e > T - 0 0 -70.5 156.7 179.6 -118.5 22.1 108.5 52 -2.7 85 -1.6 80 -0.7 0 0.0 12 35 83 A 83 PRO P T T 3 TS+ 0 0 -68.5 -16.2 179.4 63.5 115.8 45.0 0 0.0 0 0.0 0 0.0 0 0.0 9 24 84 A 84 SER S T T 3 TS+ 0 0 -81.8 -11.4 179.5 107.1 73.9 54.3 0 0.0 86 -1.1 0 0.0 0 0.0 6 24 85 A 85 ALA A t < T + 0 0 -71.8 101.9 -179.2 142.4 32.2 125.3 82 -1.6 0 0.0 0 0.0 0 0.0 11 35 86 A 86 VAL V + 0 0 -121.1 -4.1 179.8 103.7 32.1 64.8 54 -1.1 88 -1.2 84 -1.1 0 0.0 8 36 87 A 87 ASN N B B c + 55 0 -86.1 98.3 179.7 119.9 45.1 134.3 54 -2.5 56 -2.0 0 0.0 0 0.0 12 42 88 A 88 GLY G S S S- 0 0 -120.2 -108.8 178.9 -0.7 76.2 70.9 86 -1.2 90 -1.2 0 0.0 0 0.0 11 49 89 A 89 MET M - 0 0 -92.9 94.8 -178.9 -175.7 63.7 139.7 0 0.0 0 0.0 0 0.0 0 0.0 11 58 90 A 90 CYS C + 0 0 -57.8 -44.6 178.8 65.2 68.5 28.1 88 -1.2 0 0.0 0 0.0 0 0.0 9 52 91 A 91 TYR Y S S S- 0 0 -84.7 128.1 -179.7 -95.6 107.6 136.9 0 0.0 0 0.0 0 0.0 0 0.0 10 54 92 A 92 PRO P S S S+ 0 0 -43.4 128.2 180.0 87.7 80.3 94.5 0 0.0 220 -1.9 0 0.0 0 0.0 11 46 93 A 93 GLY G - 0 0 154.0 162.3 -179.6 -101.5 64.3 141.6 0 0.0 0 0.0 0 0.0 0 0.0 9 51 94 A 94 ASN N - 0 0 -117.1 153.4 -180.0 -122.0 23.0 147.1 0 0.0 222 -2.4 0 0.0 96 -0.6 8 41 95 A 95 VAL V B B d > T - 222 0 -91.3 121.8 178.5 -124.4 30.3 142.1 0 0.0 98 -1.0 0 0.0 0 0.0 8 44 96 A 96 GLU E T T 3 TS+ 0 0 -65.5 134.3 -179.5 2.7 93.6 117.0 222 -2.5 0 0.0 94 -0.6 0 0.0 8 34 97 A 97 ASN N T h > 3 TS+ 0 0 52.8 51.3 -179.5 168.2 80.2 23.4 0 0.0 101 -1.9 0 0.0 0 0.0 6 27 98 A 98 LEU L H H > < T + 0 0 -60.7 -45.3 -179.5 55.6 69.3 26.7 95 -1.0 102 -2.7 0 0.0 0 0.0 8 34 99 A 99 GLU E H H > TS+ 0 0 -58.1 -40.0 179.4 47.3 109.6 26.7 0 0.0 103 -2.0 0 0.0 0 0.0 6 26 100 A 100 GLU E H H > TS+ 0 0 -68.7 -39.6 179.3 51.7 110.8 26.1 0 0.0 104 -2.9 0 0.0 0 0.0 7 28 101 A 101 LEU L H H X TS+ 0 0 -60.5 -50.5 -179.4 44.8 112.6 16.8 97 -1.9 105 -2.7 0 0.0 0 0.0 10 43 102 A 102 ARG R H H X TS+ 0 0 -62.8 -36.4 179.4 49.6 114.5 30.5 98 -2.7 106 -2.6 0 0.0 0 0.0 10 51 103 A 103 SER S H H X TS+ 0 0 -67.5 -48.8 179.5 48.2 111.3 17.8 99 -2.0 107 -2.0 0 0.0 0 0.0 9 40 104 A 104 LEU L H H X TS+ 0 0 -55.3 -49.7 -179.9 46.3 115.0 21.3 100 -2.9 108 -0.8 0 0.0 0 0.0 8 43 105 A 105 PHE F H H < > TS+ 0 0 -59.6 -52.9 -178.2 48.0 112.7 16.8 101 -2.7 108 -1.3 0 0.0 0 0.0 9 60 106 A 106 SER S H H < 3 TS+ 0 0 -62.1 -26.5 -179.5 62.0 104.1 39.5 102 -2.6 256 -0.6 0 0.0 0 0.0 13 49 107 A 107 SER S H H < 3 TS+ 0 0 -72.8 -22.5 178.7 75.5 94.1 42.3 103 -2.0 254 -1.7 0 0.0 0 0.0 11 39 108 A 108 ALA A S h < < TS- 0 0 -78.8 174.2 178.3 -141.6 75.5 105.0 105 -1.3 0 0.0 104 -0.8 0 0.0 13 43 109 A 109 SER S S e S+ 0 0 -117.6 -0.4 178.6 9.5 76.2 67.4 251 -2.9 76 -2.4 0 0.0 0 0.0 14 41 110 A 110 SER S E E FFH - 75 251 -170.4 159.7 177.1 -155.6 54.3 167.8 251 -1.0 251 -2.1 0 0.0 0 0.0 11 46 111 A 111 TYR Y E E FFH - 74 250 -141.7 151.0 178.3 -170.9 3.9 168.5 74 -1.7 74 -0.8 0 0.0 0 0.0 12 52 112 A 112 GLN Q E E F H - 0 249 -142.1 129.6 -179.8 -122.5 26.8 169.6 249 -1.0 249 -3.0 0 0.0 0 0.0 10 40 113 A 113 ARG R E E F H - 0 248 -75.6 149.9 179.0 -171.6 26.2 115.7 0 0.0 0 0.0 0 0.0 0 0.0 11 47 114 A 114 ILE I E E F H - 0 247 -142.2 133.5 -179.3 -118.1 25.3 174.5 247 -2.2 247 -3.2 0 0.0 0 0.0 8 45 115 A 115 GLN Q E E F H + 0 246 -75.8 130.8 -179.6 174.8 30.3 125.1 0 0.0 0 0.0 0 0.0 0 0.0 8 45 116 A 116 ILE I S e S+ 0 0 -98.7 -54.7 179.6 21.6 70.4 29.8 245 -2.9 0 0.0 0 0.0 0 0.0 9 53 117 A 117 PHE F S S S- 0 0 -121.8 113.7 179.7 -139.8 76.8 162.1 245 -1.1 0 0.0 0 0.0 0 0.0 11 48 118 A 118 PRO P g > T - 0 0 -69.8 147.2 -179.6 -118.3 23.5 114.6 0 0.0 121 -1.8 0 0.0 0 0.0 7 35 119 A 119 ASP D G G > TS+ 0 0 -53.8 -29.9 -178.5 67.1 110.0 38.4 0 0.0 122 -0.9 0 0.0 0 0.0 7 33 120 A 120 THR T G G 3 TS+ 0 0 -66.7 -23.1 -178.4 70.0 84.7 43.6 0 0.0 0 0.0 0 0.0 0 0.0 5 26 121 A 121 ILE I G G < TS+ 0 0 -66.7 -29.1 -178.0 90.6 82.7 35.9 118 -1.8 0 0.0 0 0.0 0 0.0 7 34 122 A 122 TRP W g < T - 0 0 -73.6 149.6 178.9 -163.8 55.3 108.7 119 -0.9 0 0.0 0 0.0 0 0.0 8 41 123 A 123 ASN N S S S+ 0 0 -114.9 18.7 178.9 59.8 77.7 87.0 0 0.0 0 0.0 0 0.0 0 0.0 9 34 124 A 124 VAL V S S S- 0 0 -135.0 175.8 180.0 -70.9 102.1 142.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39 125 A 125 SER S B B E + 145 0 -72.1 149.3 -178.8 175.2 41.3 114.5 145 -2.2 145 -2.0 0 0.0 0 0.0 10 39 126 A 126 TYR Y + 0 0 -134.8 -0.6 -178.1 84.4 56.9 66.7 0 0.0 143 -0.5 0 0.0 0 0.0 10 47 127 A 127 SER S B B f + 143 0 -95.7 23.9 179.3 149.4 54.0 83.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38 128 A 128 GLY G + 0 0 -57.6 140.5 180.0 179.8 21.3 105.1 143 -1.1 0 0.0 0 0.0 0 0.0 11 44 129 A 129 THR T - 0 0 -135.8 173.3 -179.9 -142.3 15.5 146.8 0 0.0 0 0.0 0 0.0 0 0.0 9 40 130 A 130 SER S g >>T - 0 0 -143.2 148.5 179.0 -134.1 21.9 173.9 136 -2.4 135 -1.1 0 0.0 133 -0.9 10 40 131 A 131 SER S G G >5TS+ 0 0 -69.4 -20.9 -179.9 63.3 109.7 43.9 0 0.0 134 -0.7 0 0.0 0 0.0 7 27 132 A 132 ALA A G G 35TS+ 0 0 -75.0 -21.8 -179.5 51.7 101.8 43.2 0 0.0 0 0.0 0 0.0 0 0.0 10 33 133 A 133 CYS C G G X5TS- 0 0 -112.4 51.5 179.2 -81.5 133.1 110.2 130 -0.9 136 -1.4 0 0.0 0 0.0 13 41 134 A 134 SER S T g <5TS- 0 0 56.8 34.5 -179.8 -64.2 84.9 33.5 131 -0.7 0 0.0 0 0.0 0 0.0 9 30 135 A 135 ASP D T T 3 TS- 0 0 -140.4 164.0 179.7 -117.8 75.9 157.9 0 0.0 181 -1.6 0 0.0 0 0.0 9 30 178 A 178 ASP D H H > TS+ 0 0 -71.0 -28.5 179.7 59.4 113.5 37.8 0 0.0 182 -2.3 0 0.0 0 0.0 10 28 179 A 179 THR T H H > TS+ 0 0 -66.3 -44.2 179.5 46.3 105.8 23.5 0 0.0 183 -2.8 0 0.0 0 0.0 6 28 180 A 180 VAL V H H > TS+ 0 0 -65.3 -39.4 179.5 54.5 111.2 26.6 0 0.0 184 -2.4 0 0.0 0 0.0 9 36 181 A 181 GLN Q H H X TS+ 0 0 -57.9 -58.6 179.9 33.9 116.7 14.0 177 -1.6 185 -3.1 0 0.0 0 0.0 14 43 182 A 182 THR T H H X TS+ 0 0 -63.6 -42.0 -179.8 58.7 116.1 24.5 178 -2.3 186 -3.0 0 0.0 0 0.0 10 35 183 A 183 ASN N H H < TS+ 0 0 -54.9 -39.5 -179.3 31.1 117.9 30.9 179 -2.8 0 0.0 0 0.0 0 0.0 8 34 184 A 184 LEU L H H < TS+ 0 0 -90.6 -37.2 -177.5 19.9 137.6 33.8 180 -2.4 146 -2.9 0 0.0 0 0.0 9 49 185 A 185 TYR Y H H < TS- 0 0 -117.9 4.1 178.7 -127.0 89.7 67.7 181 -3.1 0 0.0 0 0.0 0 0.0 14 51 186 A 186 THR T S h < TS+ 0 0 72.0 -19.0 -179.5 59.7 87.6 78.1 182 -3.0 0 0.0 0 0.0 0 0.0 12 37 187 A 187 ARG R - 0 0 -140.6 155.4 -179.2 -147.3 66.3 165.6 0 0.0 0 0.0 0 0.0 0 0.0 8 39 188 A 188 THR T S S S+ 0 0 -97.1 -12.4 -180.0 63.9 88.3 55.3 0 0.0 190 -0.6 0 0.0 0 0.0 8 38 189 A 189 ASP D + 0 0 -117.3 102.6 -179.2 161.7 69.3 154.0 0 0.0 0 0.0 0 0.0 0 0.0 6 35 190 A 190 THR T - 0 0 -121.0 163.7 179.3 -153.6 27.1 142.0 188 -0.6 0 0.0 0 0.0 0 0.0 11 43 191 A 191 THR T e - 0 0 -138.1 123.8 179.7 -176.1 12.1 170.4 0 0.0 238 -0.6 0 0.0 0 0.0 12 40 192 A 192 THR T E E GNO - 203 237 -122.8 136.6 179.5 -171.4 2.9 165.5 203 -2.4 203 -3.3 0 0.0 0 0.0 14 49 193 A 193 SER S E E GNO - 202 236 -132.4 137.9 178.8 -168.5 12.5 171.6 236 -2.9 236 -2.3 0 0.0 195 -0.5 12 44 194 A 194 VAL V E E GNO + 201 235 -122.5 111.7 -177.1 167.0 28.4 167.4 201 -2.9 201 -2.3 0 0.0 0 0.0 12 52 195 A 195 THR T E E GNO + 200 234 -134.1 156.3 178.3 163.7 18.8 157.5 234 -3.0 234 -3.2 193 -0.5 0 0.0 11 41 196 A 196 THR T e - 0 0 -145.0 -169.7 178.6 -76.6 62.8 136.5 199 -2.4 0 0.0 0 0.0 0 0.0 11 37 197 A 197 GLU E S S S+ 0 0 -70.0 -21.1 -179.1 31.0 134.0 41.3 0 0.0 0 0.0 0 0.0 0 0.0 7 24 198 A 198 ASP D S S S+ 0 0 -107.1 -32.9 -179.7 54.1 115.4 41.5 0 0.0 0 0.0 0 0.0 0 0.0 5 25 199 A 199 ILE I e - 0 0 -110.5 153.3 -179.7 -176.6 45.8 142.9 0 0.0 196 -2.4 0 0.0 0 0.0 7 27 200 A 200 ASN N E E GN + 195 0 -143.7 73.7 -178.5 167.8 21.8 126.8 0 0.0 0 0.0 0 0.0 0 0.0 8 25 201 A 201 ARG R E E GN - 194 0 -98.3 135.8 179.8 -177.9 9.3 140.1 194 -2.3 194 -2.9 0 0.0 0 0.0 7 34 202 A 202 THR T E E GN - 193 0 -130.6 147.6 -178.2 -165.0 4.8 163.6 0 0.0 0 0.0 0 0.0 0 0.0 8 37 203 A 203 PHE F E E GN - 192 0 -139.2 148.8 179.7 -164.8 9.0 169.8 192 -3.3 192 -2.4 0 0.0 0 0.0 8 37 204 A 204 LYS K - 0 0 -129.0 143.0 -179.9 -119.9 25.0 165.1 0 0.0 0 0.0 0 0.0 0 0.0 8 37 205 A 205 PRO P - 0 0 -84.1 157.6 178.9 -158.8 13.6 116.0 0 0.0 0 0.0 0 0.0 0 0.0 11 43 206 A 206 VAL V - 0 0 -138.6 97.7 -178.8 -150.1 14.3 147.3 0 0.0 0 0.0 0 0.0 0 0.0 6 37 207 A 207 ILE I + 0 0 -69.8 145.2 -179.8 100.0 44.2 110.7 0 0.0 0 0.0 0 0.0 0 0.0 10 38 208 A 208 GLY G S S S- 0 0 150.3 150.5 -179.9 -81.3 70.5 128.1 175 -2.1 0 0.0 0 0.0 0 0.0 10 30 209 A 209 PRO P - 0 0 -83.5 128.7 178.3 -164.1 37.7 129.6 0 0.0 0 0.0 0 0.0 0 0.0 9 26 210 A 210 ARG R - 0 0 -98.2 168.0 179.7 -68.7 44.0 123.5 217 -2.6 0 0.0 0 0.0 0 0.0 8 26 211 A 211 PRO P - 0 0 -57.3 148.3 -179.2 -83.4 69.7 104.2 0 0.0 0 0.0 0 0.0 0 0.0 6 21 212 A 212 LEU L + 0 0 -58.7 130.7 177.9 169.9 53.0 106.0 0 0.0 0 0.0 0 0.0 0 0.0 7 22 213 A 213 VAL V B B G > TS- 216 0 -143.8 120.8 -178.8 -10.5 74.7 163.7 216 -1.8 216 -1.5 0 0.0 0 0.0 7 27 214 A 214 ASN N T T 3 TS- 0 0 55.7 36.8 179.1 -58.8 130.0 28.0 0 0.0 0 0.0 0 0.0 0 0.0 8 28 215 A 215 GLY G T T 3 TS+ 0 0 67.7 21.3 -179.4 112.4 114.8 47.2 0 0.0 0 0.0 0 0.0 0 0.0 6 24 216 A 216 LEU L B B G < T - 213 0 -129.6 147.9 179.4 -166.7 50.1 161.6 213 -1.5 213 -1.8 0 0.0 0 0.0 10 31 217 A 217 HIS H S S S+ 0 0 -101.2 -17.1 179.6 82.7 72.1 54.8 0 0.0 210 -2.6 0 0.0 0 0.0 11 32 218 A 218 GLY G - 0 0 -82.1 174.1 -179.5 -154.5 64.0 105.1 0 0.0 0 0.0 0 0.0 0 0.0 12 45 219 A 219 ARG R E E FK - 174 0 -147.0 164.0 175.6 -150.4 16.2 162.7 174 -1.9 174 -3.4 0 0.0 0 0.0 13 49 220 A 220 ILE I E E FK - 173 0 -136.8 120.6 178.0 -146.0 17.2 168.9 92 -1.9 222 -0.6 0 0.0 0 0.0 12 63 221 A 221 ASP D E E FK - 172 0 -86.4 124.7 -179.3 -145.5 23.9 144.1 172 -2.5 172 -2.0 0 0.0 0 0.0 12 50 222 A 222 TYR Y E E FKd + 171 95 -98.5 143.3 -179.7 175.2 21.7 138.8 94 -2.4 96 -2.5 220 -0.6 0 0.0 12 59 223 A 223 TYR Y E E FK - 170 0 -138.2 165.6 179.1 -174.3 7.1 154.1 170 -3.0 170 -2.1 0 0.0 0 0.0 9 57 224 A 224 TRP W E E FK + 169 0 -155.6 164.3 178.2 167.7 6.2 166.8 0 0.0 0 0.0 0 0.0 0 0.0 10 63 225 A 225 SER S E E FK - 168 0 -167.0 174.4 -179.2 -104.9 33.0 162.5 168 -1.8 168 -2.8 0 0.0 0 0.0 7 58 226 A 226 VAL V E E FK - 167 0 -122.7 122.4 179.6 -149.1 17.6 163.7 0 0.0 228 -0.8 0 0.0 0 0.0 8 55 227 A 227 LEU L E E FK - 166 0 -88.8 111.1 -179.4 -145.3 21.9 140.3 166 -3.3 166 -2.5 0 0.0 0 0.0 13 49 228 A 228 LYS K t > T - 0 0 -73.2 158.6 179.9 -73.8 36.5 108.4 226 -0.8 231 -2.0 0 0.0 0 0.0 9 33 229 A 229 PRO P T T 3 TS+ 0 0 -53.4 135.9 179.4 14.2 120.0 103.1 0 0.0 0 0.0 0 0.0 0 0.0 11 29 230 A 230 GLY G T T 3 TS+ 0 0 84.7 -20.0 -179.9 123.8 98.8 80.1 160 -2.7 0 0.0 0 0.0 0 0.0 8 24 231 A 231 GLN Q e < T - 0 0 -74.2 159.4 179.6 -134.7 54.5 109.1 228 -2.0 160 -2.9 0 0.0 0 0.0 10 30 232 A 232 THR T E E GJ - 159 0 -118.2 132.9 178.3 -151.6 8.0 162.0 0 0.0 0 0.0 0 0.0 0 0.0 11 37 233 A 233 LEU L E E GJ - 158 0 -102.9 131.7 179.4 -174.7 15.5 152.0 158 -3.6 158 -2.3 0 0.0 0 0.0 13 49 234 A 234 ARG R E E GJO - 157 195 -131.1 130.9 179.3 -170.7 4.5 173.5 195 -3.2 195 -3.0 0 0.0 0 0.0 12 49 235 A 235 VAL V E E GJO - 156 194 -123.8 135.5 179.4 -179.0 3.7 166.9 156 -2.5 156 -2.2 0 0.0 0 0.0 12 57 236 A 236 ARG R E E GJO + 155 193 -131.4 140.1 179.7 151.0 13.5 171.6 193 -2.3 193 -2.9 0 0.0 0 0.0 12 45 237 A 237 SER S E E GJO - 154 192 -167.8 149.4 177.7 -166.8 37.0 164.3 154 -1.9 154 -3.6 0 0.0 0 0.0 13 52 238 A 238 ASN N S e S- 0 0 -125.8 26.8 179.0 -19.8 84.5 94.9 191 -0.6 0 0.0 0 0.0 0 0.0 13 49 239 A 239 GLY G S S S+ 0 0 143.1 151.5 178.0 44.2 110.7 122.6 0 0.0 0 0.0 0 0.0 0 0.0 15 58 240 A 240 ASN N S e S+ 0 0 74.1 -3.1 179.6 136.0 70.3 69.9 0 0.0 173 -3.0 0 0.0 0 0.0 14 66 241 A 241 LEU L E E F M - 0 172 -80.9 133.4 176.4 -158.7 44.0 126.5 0 0.0 144 -1.0 0 0.0 243 -0.9 13 70 242 A 242 ILE I E E FIM - 143 171 -107.9 92.6 -175.1 -141.5 36.2 154.0 171 -3.0 171 -2.0 0 0.0 0 0.0 12 77 243 A 243 ALA A E E FI - 142 0 -66.9 147.6 179.1 -103.7 9.8 100.6 142 -1.4 142 -2.3 241 -0.9 0 0.0 11 69 244 A 244 PRO P E E FI + 141 0 -64.9 139.1 179.6 163.8 43.8 115.7 0 0.0 0 0.0 0 0.0 0 0.0 13 69 245 A 245 TRP W e + 0 0 -121.9 -57.4 177.2 11.5 64.9 50.8 140 -2.9 116 -2.9 0 0.0 117 -1.1 13 58 246 A 246 TYR Y E E FH - 115 0 -126.5 143.1 177.8 -169.0 65.1 165.6 140 -1.3 0 0.0 0 0.0 0 0.0 14 59 247 A 247 GLY G E E FH - 114 0 -116.5 -175.6 179.9 -112.6 22.0 123.4 114 -3.2 114 -2.2 0 0.0 0 0.0 14 61 248 A 248 HIS H E E FHL - 113 167 -126.4 137.5 175.7 -146.4 7.6 167.4 167 -2.8 167 -3.1 0 0.0 250 -0.7 12 58 249 A 249 ILE I E E FHL - 112 166 -99.0 111.9 179.4 -158.3 23.9 154.9 112 -3.0 112 -1.0 0 0.0 0 0.0 12 50 250 A 250 LEU L E E FH - 111 0 -92.2 140.4 -180.0 -179.5 14.7 138.2 248 -0.7 0 0.0 165 -0.5 0 0.0 13 50 251 A 251 SER S E E FH + 110 0 -140.2 157.2 177.9 2.0 31.4 164.8 110 -2.1 109 -2.9 0 0.0 110 -1.0 8 38 252 A 252 GLY G S S S- 0 0 66.3 -177.5 179.4 -83.3 72.7 84.3 0 0.0 0 0.0 0 0.0 0 0.0 7 32 253 A 253 GLU E - 0 0 -132.9 121.4 179.1 -176.9 39.0 170.8 0 0.0 0 0.0 0 0.0 0 0.0 8 34 254 A 254 SER S - 0 0 -97.5 -162.1 178.1 -77.5 55.5 97.8 107 -1.7 0 0.0 0 0.0 0 0.0 13 38 255 A 255 HIS H - 0 0 -73.5 -13.9 179.2 -132.9 61.2 49.9 77 -3.2 0 0.0 0 0.0 0 0.0 10 45 256 A 256 GLY G + 0 0 67.6 33.5 179.6 138.3 55.8 34.9 106 -0.6 0 0.0 0 0.0 0 0.0 12 47 257 A 257 ARG R e - 0 0 -113.0 150.4 176.0 -163.5 40.9 146.4 0 0.0 79 -2.3 0 0.0 0 0.0 9 52 258 A 258 ILE I E E Eg - 79 0 -128.7 103.5 179.9 -165.3 16.6 160.7 0 0.0 0 0.0 0 0.0 0 0.0 9 52 259 A 259 LEU L E E Eg - 80 0 -94.6 132.0 179.9 -159.0 7.4 143.6 79 -3.2 81 -3.3 0 0.0 261 -0.7 9 52 260 A 260 LYS K + 0 0 -112.2 88.9 -178.2 112.2 46.2 143.5 0 0.0 0 0.0 0 0.0 0 0.0 9 39 261 A 261 THR T - 0 0 -152.7 163.3 178.8 -135.6 64.9 166.7 259 -0.7 0 0.0 0 0.0 0 0.0 9 38 262 A 262 ASP D + 0 0 -107.1 18.2 180.0 145.5 55.3 84.3 0 0.0 0 0.0 0 0.0 0 0.0 6 32 263 A 263 LEU L - 0 0 -59.1 136.8 -179.8 -98.3 59.3 108.2 0 0.0 0 0.0 0 0.0 0 0.0 10 35 264 A 264 ASN N e - 0 0 -58.6 139.5 177.7 -141.1 34.1 104.6 0 0.0 41 -2.1 0 0.0 0 0.0 7 35 265 A 265 SER S E E Dd - 41 0 -98.3 154.8 -179.8 -169.9 23.4 135.0 0 0.0 0 0.0 0 0.0 0 0.0 7 39 266 A 266 GLY G E E D* - 0 0 -142.6 170.3 178.7 -102.4 38.2 155.3 41 -2.3 268 -1.6 0 0.0 0 0.0 7 30 267 A 267 ASN N E E D* S+ 0 0 -91.8 74.9 -177.2 113.8 82.5 129.3 0 0.0 0 0.0 0 0.0 0 0.0 6 25 268 A 268 CYS C E E D* - 0 0 -142.0 165.2 178.5 -140.9 56.6 155.1 266 -1.6 43 -2.5 0 0.0 0 0.0 6 29 269 A 269 VAL V E E Dd + 43 0 -133.4 131.5 179.9 178.8 22.8 178.7 0 0.0 0 0.0 0 0.0 0 0.0 8 35 270 A 270 VAL V e - 0 0 -131.1 162.8 178.3 -139.0 34.3 152.1 43 -2.7 0 0.0 0 0.0 0 0.0 12 41 271 A 271 GLN Q S e S+ 0 0 -80.9 -48.2 -177.2 32.7 96.8 24.2 279 -0.8 295 -2.8 0 0.0 0 0.0 12 45 272 A 272 CYS C E E HPQ S- 279 294 -118.6 125.9 -179.2 -168.2 70.6 159.6 279 -2.4 279 -2.7 0 0.0 0 0.0 13 51 273 A 273 GLN Q E E HPQ + 278 293 -114.9 139.2 177.4 173.0 8.4 153.9 293 -2.9 293 -2.5 0 0.0 0 0.0 14 62 274 A 274 THR T E E HP > T - 277 0 -132.1 172.2 180.0 -102.4 48.9 146.5 277 -1.2 277 -0.6 0 0.0 0 0.0 12 59 275 A 275 GLU E T T 3 TS+ 0 0 -73.0 -6.5 -179.8 49.0 123.7 53.4 0 0.0 0 0.0 0 0.0 0 0.0 12 51 276 A 276 ARG R T T 3 TS- 0 0 -104.4 -16.5 -178.6 -61.7 128.4 55.6 0 0.0 0 0.0 0 0.0 0 0.0 11 39 277 A 277 GLY G E E HP < T - 274 0 151.0 172.3 -179.3 -86.3 54.9 145.9 274 -0.6 274 -1.2 0 0.0 0 0.0 13 47 278 A 278 GLY G E E HP - 273 0 -108.9 171.2 -179.0 -169.5 33.8 126.6 0 0.0 38 -2.3 0 0.0 0 0.0 15 53 279 A 279 LEU L E E HP - 272 0 -158.6 160.4 178.2 -149.5 19.3 174.6 272 -2.7 272 -2.4 0 0.0 271 -0.8 11 47 280 A 280 ASN N + 0 0 -129.3 136.2 179.2 139.3 37.1 171.0 0 0.0 0 0.0 0 0.0 0 0.0 7 42 281 A 281 THR T - 0 0 -173.5 156.7 177.5 -147.6 48.9 163.6 0 0.0 0 0.0 0 0.0 0 0.0 6 35 282 A 282 THR T + 0 0 -110.1 1.1 178.5 113.3 67.9 71.5 0 0.0 0 0.0 0 0.0 0 0.0 5 26 283 A 283 LEU L S S S- 0 0 -72.4 147.4 -179.3 -128.6 71.7 118.6 0 0.0 0 0.0 0 0.0 0 0.0 9 30 284 A 284 PRO P S e S+ 0 0 -70.1 -23.1 -178.3 38.5 83.3 43.3 0 0.0 298 -3.1 0 0.0 0 0.0 9 31 285 A 285 PHE F E E Ccr - 33 298 -128.2 163.7 176.2 -177.5 56.0 147.7 32 -1.8 34 -2.6 0 0.0 0 0.0 11 38 286 A 286 HIS H E E Ccr - 34 299 -153.1 156.3 -179.6 -155.8 18.8 165.3 298 -1.7 300 -2.4 0 0.0 0 0.0 13 44 287 A 287 ASN N e + 0 0 -123.3 22.9 -178.8 104.4 65.4 86.2 34 -1.6 0 0.0 0 0.0 0 0.0 13 41 288 A 288 VAL V S S S- 0 0 -71.5 -49.2 -179.7 -28.3 91.9 19.8 0 0.0 0 0.0 0 0.0 0 0.0 12 44 289 A 289 SER S t > T - 0 0 -171.9 138.1 179.3 -137.2 35.5 151.9 0 0.0 292 -1.5 0 0.0 0 0.0 10 39 290 A 290 LYS K T T 3 TS+ 0 0 -70.2 -15.2 -179.3 65.5 106.5 46.6 0 0.0 0 0.0 0 0.0 0 0.0 7 31 291 A 291 TYR Y T T 3 TS+ 0 0 -88.9 7.1 -179.9 134.7 74.1 69.6 0 0.0 0 0.0 0 0.0 0 0.0 6 37 292 A 292 ALA A t < T - 0 0 -56.9 145.5 179.0 -178.3 31.2 100.3 289 -1.5 0 0.0 0 0.0 0 0.0 12 51 293 A 293 PHE F E E HQ + 273 0 -145.8 162.8 -178.1 48.7 36.7 163.5 273 -2.5 273 -2.9 0 0.0 0 0.0 9 51 294 A 294 GLY G E E HQ S- 272 0 112.0 -135.7 177.9 -13.8 114.5 158.2 0 0.0 296 -0.9 0 0.0 0 0.0 10 48 295 A 295 ASN N S e S+ 0 0 -105.0 95.6 -174.4 164.0 93.9 150.5 271 -2.8 0 0.0 0 0.0 0 0.0 7 38 296 A 296 CYS C - 0 0 -122.1 162.1 178.5 -121.7 42.7 139.2 294 -0.9 0 0.0 0 0.0 0 0.0 8 41 297 A 297 PRO P - 0 0 -81.4 -176.9 178.4 -78.1 57.8 102.3 0 0.0 0 0.0 0 0.0 0 0.0 10 37 298 A 298 LYS K E E Cr - 285 0 -88.6 133.1 178.8 -122.4 46.2 136.9 284 -3.1 286 -1.7 0 0.0 0 0.0 7 34 299 A 299 TYR Y E E Cr + 286 0 -75.2 134.8 178.4 176.6 33.9 125.3 0 0.0 0 0.0 0 0.0 0 0.0 11 38 300 A 300 VAL V e - 0 0 -139.8 127.8 -178.8 -132.5 30.7 172.3 286 -2.4 302 -1.8 0 0.0 0 0.0 8 27 301 A 301 GLY G + 0 0 -83.4 69.9 178.9 100.5 68.2 117.8 0 0.0 0 0.0 0 0.0 0 0.0 5 22 302 A 302 VAL V S S S- 0 0 -140.4 174.1 -178.9 -125.7 71.3 149.3 300 -1.8 0 0.0 0 0.0 0 0.0 6 24 303 A 303 LYS K S S S+ 0 0 -96.1 -24.9 -179.0 0.8 88.2 45.3 0 0.0 0 0.0 0 0.0 0 0.0 7 23 304 A 304 SER S - 0 0 -163.4 150.4 178.0 -165.3 43.5 168.7 0 0.0 0 0.0 0 0.0 0 0.0 7 31 305 A 305 LEU L e - 0 0 -140.4 79.3 -177.9 -176.1 23.2 132.3 0 0.0 32 -2.5 0 0.0 307 -0.6 8 35 306 A 306 LYS K E E BB - 31 0 -87.4 118.2 179.8 -158.3 8.6 135.5 0 0.0 0 0.0 0 0.0 0 0.0 12 39 307 A 307 LEU L E E BB - 30 0 -97.4 129.8 178.5 -121.8 19.6 143.6 30 -2.9 30 -2.7 305 -0.6 0 0.0 9 33 308 A 308 ALA A E E BB + 29 0 -69.2 137.3 177.5 161.4 38.8 118.0 0 0.0 0 0.0 0 0.0 0 0.0 10 30 309 A 309 VAL V e + 0 0 -119.7 -50.4 179.1 41.1 63.5 51.7 28 -2.4 0 0.0 0 0.0 0 0.0 8 27 310 A 310 GLY G S S S- 0 0 -85.5 -163.4 -178.2 -83.8 93.5 88.5 28 -2.5 0 0.0 0 0.0 0 0.0 8 27 311 A 311 LEU L - 0 0 -102.2 174.4 179.1 -65.8 56.9 116.5 0 0.0 27 -2.3 0 0.0 0 0.0 8 30 312 A 312 ARG R B B A - 26 0 -60.0 130.0 -178.2 -127.9 53.6 113.8 0 0.0 314 -0.8 0 0.0 0 0.0 8 33 313 A 313 ASN N - 0 0 -88.0 107.6 -177.6 -179.7 32.7 138.4 25 -2.3 0 0.0 0 0.0 0 0.0 11 29 314 A 314 VAL V - 0 0 -115.2 110.1 179.9 -139.4 20.2 157.3 312 -0.8 0 0.0 0 0.0 0 0.0 6 24 315 A 315 PRO P - 0 0 -67.3 138.9 179.1 -147.3 3.2 113.7 0 0.0 0 0.0 0 0.0 0 0.0 6 20 316 A 316 ALA A 0 0 -69.4 -49.2 -179.8 999.9 999.9 17.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14 317 A 317 ARG R 0 0 -70.5 999.9 999.9 999.9 999.9 13.0 0 0.0 0 0.0 0 0.0 0 0.0 2 8 1jsdA.pdb 1JSD VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand EE SS SSEEBS EEE EE SSEEEBTTB EEESSB HHHHHHT TT GGGTT EE SSEEE TT BS SS BTTHHH Kabs/Sand chirality ---+---+-+-+---+-++-++---++---+-+++--+-+---+------+++--+++++---+++++++---+-------+++++--+-+---+++++ chirality bends SS SS S SS SS SS SSSSSS SS SSSS SS SS S SS SS SS bends turns TTTT TTTTTTTTTTTTTTTTTT TTTT TTTTTT turns 5-turns >5555< 5-turns 3-turns >33< >33X>3X<3< >33< >33< 3-turns bridge-2 gg bridge-2 bridge-1 AA AAA BBB cc d*dB B eee c FF eee c d bridge-1 sheets AA AA BBB CC DDD EEE FF EEE sheets 4-turns >>>><<<< >>>> 4-turns summary eEE SS SSEEeSeEEEeEE SSEEEBTTB EEESSBhHHHHHHhtTTgGGGgTtEEeSeEEEeTTt BS SS BThHHH summary sequence DKICIGYQSTNSTETVDTLTETNVPVTHAKELLHTSHNGMLCATNLGHPLILDTCTIEGLIYGNPSCDLLLGGREWSYIVERPSAVNGMCYPGNVENLEE sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand HHHHHHHSSEEEEEESS GGG SSB B GGGTTS SSEEE B SSS EEEEEE SSS EEEEEEEEE SSHHHHHHHHS S EEEE SS E Kabs/Sand chirality +++++++-+-----++--+++-+-++++--++--+---++---+----+----++----++-+-----+------+-+++++++-+-++----++-++-+ chirality bends SSSSSSSSS SS SSS SS SSSSSS SS SSS SSS SSSSSSSSSSS S SS bends turns TTTTTTTT TTTTT TTTTTTT TTTTTTTTTT turns 5-turns >5555< 5-turns 3-turns >33< >>3<< >>3X<3< 3-turns bridge-2 HHHHHH f LL MM OOOO bridge-2 bridge-1 FF E f III E JJJJJJ KKKKKKKKK NNNN N bridge-1 sheets FFFFFF FFF GGGGGG FFFFFFFFF GGGG G sheets 4-turns XXXX<<<< >>>>XX<<<< 4-turns summary HHHHHHHheEEEEEEeSgGGGgSSB B gGGGgTt SeEEEeB SSS EEEEEEe SSSeEEEEEEEEE ShHHHHHHHHh S eEEEEeSSeE summary sequence LRSLFSSASSYQRIQIFPDTIWNVSYSGTSSACSDSFYRSMRWLTQKNNAYPIQDAQYTNNRGKSILFMWGINHPPTDTVQTNLYTRTDTTTSVTTEDIN sequence 110 120 130 140 150 160 170 180 190 200 author author Kabs/Sand EEE S BTTBS EEEEEEEEE TT EEEEEESSSEEEE EEEEEES EE EEEEE SEEETTEEE SSEE S TT EES EE Kabs/Sand chirality ------+----+--+-+----+-+----++-----+--++---++-----+----+---+-+----+-+-+-+-+----+-+-+--+--++-+-+---+- chirality bends S SSS S SS SSS S S SS SS SS S SS SS bends turns TTTT TTTT TTTT TTTT turns 5-turns 5-turns 3-turns >33< >33< >33< >33< 3-turns bridge-2 d OOOO MM LL QQ rr bridge-2 bridge-1 NNN G G KKKKKKKKK JJJJJJ III HHHHHH gg d***d PPP PPP cc QQ rr bridge-1 sheets GGG FFFFFFFFF GGGGGG FFFF FFFFFF EE DDDDD HHH HHH CC HH CC sheets 4-turns 4-turns summary EEE S BTTBS EEEEEEEEEtTTeEEEEEEeSeEEEEeEEEEEES eEE eEEEEEeeEEETTEEE SeEEeStTTtEEe EEe summary sequence RTFKPVIGPRPLVNGLHGRIDYYWSVLKPGQTLRVRSNGNLIAPWYGHILSGESHGRILKTDLNSGNCVVQCQTERGGLNTTLPFHNVSKYAFGNCPKYV sequence 210 220 230 240 250 260 270 280 290 300 author author Kabs/Sand SS EEE S B Kabs/Sand chirality +-+----++------ chirality bends SS S bends turns turns 5-turns 5-turns 3-turns 3-turns bridge-2 bridge-2 bridge-1 BBB A bridge-1 sheets BBB sheets 4-turns 4-turns summary SS eEEEeS B summary sequence GVKSLKLAVGLRNVPAR sequence 310