Secondary structure calculation program - copyright by David Keith Smith, 1989 1d4m1.pdb 1D4M VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; Sequence length - 284 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 1 1 GLY G 0 0 999.9 -63.2 179.4 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 3 5 2 1 2 ASP D + 0 0 -103.2 -68.7 178.0 23.5 999.9 35.0 0 0.0 0 0.0 0 0.0 0 0.0 3 5 3 1 3 VAL V S S S- 0 0 -100.1 153.1 -179.5 -156.8 71.6 130.9 0 0.0 0 0.0 0 0.0 0 0.0 4 6 4 1 4 GLU E - 0 0 -134.6 140.3 -176.2 -135.5 14.4 177.2 0 0.0 6 -0.7 0 0.0 0 0.0 5 8 5 1 5 GLU E + 0 0 -96.8 53.3 178.2 142.6 46.3 108.7 0 0.0 0 0.0 0 0.0 0 0.0 4 9 6 1 6 ALA A + 0 0 -75.2 24.1 -179.0 152.8 33.0 80.7 4 -0.7 0 0.0 0 0.0 0 0.0 4 10 7 1 7 ILE I - 0 0 -62.6 127.3 179.0 -153.3 41.3 109.1 0 0.0 9 -0.9 0 0.0 0 0.0 4 9 8 1 8 GLU E + 0 0 -99.3 62.9 -179.8 155.5 33.7 121.9 0 0.0 0 0.0 0 0.0 0 0.0 5 10 9 1 9 ARG R + 0 0 -66.2 -9.9 178.6 62.0 63.4 57.0 7 -0.9 0 0.0 0 0.0 0 0.0 4 9 10 1 10 ALA A S S S+ 0 0 -122.2 87.2 -179.2 176.0 72.2 142.5 0 0.0 0 0.0 0 0.0 0 0.0 4 12 11 1 11 VAL V - 0 0 -99.0 143.6 -177.7 -106.5 29.7 136.4 0 0.0 0 0.0 0 0.0 0 0.0 5 17 12 1 12 VAL V - 0 0 -72.4 139.3 179.9 -169.4 33.1 109.5 0 0.0 0 0.0 0 0.0 0 0.0 5 19 13 1 13 HIS H - 0 0 -115.2 179.9 -179.8 -89.8 30.6 125.4 0 0.0 0 0.0 0 0.0 0 0.0 9 20 14 1 14 VAL V - 0 0 -89.7 153.5 -178.4 -76.9 63.7 123.6 57 -2.3 0 0.0 0 0.0 0 0.0 9 21 15 1 15 ALA A - 0 0 -58.7 138.1 177.9 -122.9 44.5 104.7 0 0.0 0 0.0 0 0.0 0 0.0 5 24 16 1 16 ASP D - 0 0 -72.0 161.1 175.9 -117.0 22.4 108.3 0 0.0 18 -0.5 0 0.0 0 0.0 8 23 17 1 17 THR T B B A - 53 0 -102.6 123.3 179.6 -143.6 28.9 154.7 53 -2.0 53 -2.4 0 0.0 0 0.0 12 25 18 1 18 MET M - 0 0 -86.5 141.4 177.5 -105.9 22.8 133.8 16 -0.5 0 0.0 0 0.0 0 0.0 9 23 19 1 19 ARG R - 0 0 -62.6 142.5 -177.8 -172.0 43.8 114.9 0 0.0 0 0.0 0 0.0 0 0.0 10 21 20 1 20 SER S B B B - 50 0 -144.9 129.4 179.8 -170.6 6.8 171.8 50 -2.1 50 -0.6 0 0.0 0 0.0 11 21 21 1 21 GLY G - 0 0 -105.1 -166.0 -179.9 -46.2 41.8 106.9 0 0.0 0 0.0 0 0.0 0 0.0 7 18 22 1 22 PRO P - 0 0 -60.1 158.5 179.1 -170.0 54.2 95.9 0 0.0 0 0.0 0 0.0 0 0.0 5 18 23 1 23 SER S - 0 0 -150.7 155.1 177.3 -179.1 23.0 170.4 0 0.0 0 0.0 0 0.0 0 0.0 4 18 24 1 24 ASN N + 0 0 -156.4 93.3 -177.3 129.8 39.9 136.9 0 0.0 0 0.0 0 0.0 0 0.0 4 15 25 1 25 SER S - 0 0 -146.4 171.2 177.9 -117.8 67.7 156.2 0 0.0 0 0.0 0 0.0 0 0.0 5 13 26 1 26 ALA A S S S+ 0 0 -82.4 -18.1 179.2 99.5 88.9 49.1 0 0.0 28 -0.6 0 0.0 0 0.0 4 11 27 1 27 SER S - 0 0 -72.4 114.8 -177.6 -173.1 57.0 127.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14 28 1 28 VAL V t > T + 0 0 -121.5 87.8 -179.6 171.0 16.4 134.6 26 -0.6 31 -1.2 0 0.0 0 0.0 6 20 29 1 29 PRO P T T 3 TS+ 0 0 -58.8 -37.8 -178.5 62.4 74.0 44.0 0 0.0 0 0.0 0 0.0 0 0.0 8 23 30 1 30 ALA A T T 3 TS+ 0 0 -71.0 -14.3 178.8 76.9 89.4 54.8 0 0.0 32 -0.5 0 0.0 0 0.0 7 22 31 1 31 LEU L t < T + 0 0 -102.3 128.8 -178.0 146.8 61.8 152.7 28 -1.2 0 0.0 0 0.0 0 0.0 5 20 32 1 32 THR T - 0 0 -144.6 -173.6 179.1 -105.7 50.4 137.8 30 -0.5 0 0.0 0 0.0 0 0.0 6 18 33 1 33 ALA A g > T - 0 0 -128.1 91.9 179.8 -174.3 21.3 149.5 0 0.0 36 -2.0 0 0.0 0 0.0 6 14 34 1 34 VAL V G G > TS+ 0 0 -55.2 -24.6 -179.9 80.0 77.5 41.7 0 0.0 37 -1.9 0 0.0 0 0.0 7 13 35 1 35 GLU E G G 3 TS+ 0 0 -57.3 -27.1 -180.0 71.1 75.1 45.5 0 0.0 0 0.0 0 0.0 0 0.0 5 9 36 1 36 THR T G G < TS- 0 0 -68.3 -13.5 -178.3 -115.3 111.8 48.4 33 -2.0 0 0.0 0 0.0 0 0.0 5 10 37 1 37 GLY G S g < TS+ 0 0 83.6 18.8 -178.0 135.0 74.5 51.4 34 -1.9 0 0.0 0 0.0 0 0.0 5 9 38 1 38 HIS H - 0 0 -104.3 133.9 175.8 -140.7 52.4 145.0 0 0.0 0 0.0 0 0.0 0 0.0 7 13 39 1 39 THR T - 0 0 -94.1 126.7 -178.6 -107.8 35.5 148.2 0 0.0 0 0.0 0 0.0 0 0.0 5 14 40 1 40 SER S - 0 0 -56.8 137.8 179.1 -149.8 15.7 105.6 0 0.0 0 0.0 0 0.0 0 0.0 5 19 41 1 41 GLN Q + 0 0 -96.0 22.3 -179.9 143.6 47.6 87.8 0 0.0 0 0.0 0 0.0 0 0.0 4 20 42 1 42 VAL V - 0 0 -62.7 149.8 177.2 -170.0 28.9 102.1 0 0.0 0 0.0 0 0.0 0 0.0 7 25 43 1 43 THR T h > > T - 0 0 -136.3 159.6 -179.4 -94.6 41.3 158.8 0 0.0 46 -2.7 0 0.0 47 -0.6 6 28 44 1 44 PRO P H H > > TS+ 0 0 -45.2 -38.5 -179.8 65.0 120.1 35.1 0 0.0 48 -1.5 0 0.0 47 -1.4 9 26 45 1 45 SER S H H 4 3 TS+ 0 0 -61.5 -17.3 179.0 61.6 95.4 45.4 0 0.0 0 0.0 0 0.0 0 0.0 11 27 46 1 46 ASP D H H 4 < TS+ 0 0 -78.3 -28.2 -176.8 24.6 117.3 39.2 43 -2.7 0 0.0 0 0.0 0 0.0 9 29 47 1 47 THR T H H < < TS+ 0 0 -120.7 1.4 179.6 18.8 126.0 65.0 44 -1.4 0 0.0 43 -0.6 0 0.0 8 27 48 1 48 MET M S h < TS- 0 0 -159.1 170.7 178.2 -80.5 86.8 164.4 44 -1.5 0 0.0 0 0.0 0 0.0 8 22 49 1 49 GLN Q - 0 0 -82.6 125.8 -179.6 -173.5 51.3 134.4 0 0.0 0 0.0 0 0.0 0 0.0 10 19 50 1 50 THR T B B B - 20 0 -117.8 161.1 176.8 -134.1 20.2 139.8 20 -0.6 20 -2.1 0 0.0 0 0.0 11 22 51 1 51 ARG R - 0 0 -99.7 170.9 177.1 -90.6 42.4 125.9 0 0.0 0 0.0 0 0.0 0 0.0 8 20 52 1 52 HIS H - 0 0 -84.6 137.4 178.4 -172.8 44.4 135.7 0 0.0 0 0.0 0 0.0 0 0.0 9 20 53 1 53 VAL V B B A - 17 0 -133.2 118.9 177.5 -147.0 19.5 169.7 17 -2.4 17 -2.0 0 0.0 55 -1.1 8 19 54 1 54 LYS K - 0 0 -84.8 103.0 -177.1 -155.1 26.4 142.6 0 0.0 56 -0.6 0 0.0 0 0.0 6 16 55 1 55 ASN N + 0 0 -90.5 119.0 -179.8 175.1 25.5 137.8 53 -1.1 0 0.0 0 0.0 0 0.0 9 19 56 1 56 TYR Y + 0 0 -99.5 3.0 -179.8 124.8 38.7 70.4 54 -0.6 0 0.0 0 0.0 0 0.0 6 17 57 1 57 HIS H - 0 0 -65.1 147.1 -177.4 -161.2 43.3 111.6 0 0.0 14 -2.3 0 0.0 0 0.0 6 16 58 1 58 SER S - 0 0 -135.6 145.0 -179.8 -137.1 26.2 168.0 0 0.0 0 0.0 0 0.0 0 0.0 7 17 59 1 59 ARG R g > T + 0 0 -87.7 28.3 -178.6 125.8 62.5 86.3 0 0.0 62 -1.7 0 0.0 0 0.0 8 18 60 1 60 SER S G G > T + 0 0 -55.8 -40.2 -178.1 52.1 68.2 33.9 0 0.0 63 -0.9 0 0.0 0 0.0 6 20 61 1 61 GLU E G G 3 TS+ 0 0 -79.8 -2.8 -179.6 60.1 103.4 59.0 0 0.0 0 0.0 0 0.0 0 0.0 6 17 62 1 62 SER S G G < T + 0 0 -113.1 23.3 177.6 120.5 69.3 82.9 59 -1.7 0 0.0 0 0.0 0 0.0 7 21 63 1 63 THR T S h > < TS- 0 0 -77.4 154.2 -179.2 -116.9 74.6 121.1 60 -0.9 67 -2.5 0 0.0 0 0.0 8 29 64 1 64 VAL V H H > TS+ 0 0 -62.9 -34.2 179.0 58.2 116.5 24.1 0 0.0 68 -2.7 0 0.0 0 0.0 10 35 65 1 65 GLU E H H > TS+ 0 0 -57.6 -43.0 -179.4 40.5 112.8 21.5 0 0.0 69 -1.9 0 0.0 0 0.0 11 31 66 1 66 ASN N H H 4 TS+ 0 0 -74.8 -38.1 179.1 52.1 112.8 31.6 0 0.0 0 0.0 0 0.0 0 0.0 10 29 67 1 67 PHE F H H < TS+ 0 0 -65.1 -44.2 -179.3 32.2 121.5 25.7 63 -2.5 0 0.0 0 0.0 0 0.0 9 33 68 1 68 LEU L H H < TS+ 0 0 -85.7 -22.5 -177.4 91.9 97.8 40.8 64 -2.7 70 -1.9 0 0.0 0 0.0 11 43 69 1 69 GLY G h < T + 0 0 -75.4 53.6 176.8 92.7 60.4 105.9 65 -1.9 0 0.0 0 0.0 0 0.0 10 37 70 1 70 ARG R S S S- 0 0 -138.2 142.5 -178.7 -103.4 82.8 167.9 68 -1.9 0 0.0 0 0.0 0 0.0 9 35 71 1 71 SER S - 0 0 -71.1 134.8 179.6 -171.7 41.4 119.0 0 0.0 0 0.0 0 0.0 0 0.0 9 40 72 1 72 ALA A E E AA - 240 0 -128.9 141.4 179.5 -109.8 29.8 169.8 240 -1.8 240 -2.1 0 0.0 0 0.0 9 37 73 1 73 CYS C E E AA + 239 0 -70.5 121.2 179.9 169.8 38.5 124.9 0 0.0 0 0.0 0 0.0 0 0.0 11 40 74 1 74 VAL V E E A* + 0 0 -109.2 -10.0 179.3 3.5 61.9 58.0 238 -3.1 0 0.0 0 0.0 0 0.0 13 43 75 1 75 TYR Y E E AA - 238 0 -169.5 155.8 176.4 -176.7 52.1 167.0 238 -1.0 238 -2.3 0 0.0 0 0.0 9 41 76 1 76 MET M E E AA + 237 0 -158.8 142.8 -179.8 158.7 12.8 162.5 0 0.0 0 0.0 0 0.0 0 0.0 9 43 77 1 77 GLU E E E AA - 236 0 -159.6 161.8 -179.5 -119.8 29.5 166.5 236 -1.5 236 -2.5 0 0.0 0 0.0 8 41 78 1 78 GLU E E E AA - 235 0 -113.2 150.8 177.4 -175.8 18.9 145.2 0 0.0 0 0.0 0 0.0 0 0.0 11 42 79 1 79 TYR Y E E AA - 234 0 -143.6 132.2 -179.2 -132.5 20.3 172.8 234 -2.3 234 -2.5 0 0.0 0 0.0 12 49 80 1 80 LYS K E E AA - 233 0 -89.7 153.2 -179.5 -139.8 9.0 128.8 88 -3.1 0 0.0 0 0.0 0 0.0 12 47 81 1 81 THR T S e S+ 0 0 -74.8 -32.4 -179.5 10.4 94.1 36.0 232 -2.5 0 0.0 0 0.0 0 0.0 13 49 82 1 82 THR T S S S+ 0 0 -152.7 130.6 -179.3 139.3 76.1 166.9 0 0.0 0 0.0 0 0.0 0 0.0 11 40 83 1 83 ASP D - 0 0 -166.5 157.5 179.7 -120.1 53.1 164.2 0 0.0 0 0.0 0 0.0 0 0.0 9 32 84 1 84 ASN N S S S+ 0 0 -76.0 -26.7 -179.4 79.5 96.0 41.7 0 0.0 86 -0.7 0 0.0 0 0.0 4 20 85 1 85 ASP D S g > TS- 0 0 -89.3 114.6 -179.8 -150.7 73.1 141.2 0 0.0 88 -1.7 0 0.0 0 0.0 6 21 86 1 86 VAL V G G > TS+ 0 0 -49.8 -41.5 -178.2 54.2 94.4 32.2 84 -0.7 89 -1.2 0 0.0 0 0.0 9 26 87 1 87 ASN N G G > TS+ 0 0 -74.2 -13.7 -179.9 66.2 94.9 53.5 0 0.0 90 -0.6 0 0.0 0 0.0 7 29 88 1 88 LYS K G G < TS+ 0 0 -82.1 -9.9 -178.1 65.6 93.4 53.3 85 -1.7 80 -3.1 0 0.0 0 0.0 10 35 89 1 89 LYS K G G < TS+ 0 0 -96.3 6.1 178.7 24.2 105.7 71.7 86 -1.2 0 0.0 0 0.0 0 0.0 14 46 90 1 90 PHE F S g < TS- 0 0 -161.4 157.2 178.3 -120.4 71.4 168.9 87 -0.6 0 0.0 0 0.0 0 0.0 15 52 91 1 91 VAL V E E BB - 221 0 -110.5 144.0 178.9 -172.2 15.8 151.6 221 -2.3 221 -1.8 0 0.0 0 0.0 13 50 92 1 92 ALA A E E BB + 220 0 -130.1 107.0 -178.1 179.8 14.3 162.0 0 0.0 0 0.0 0 0.0 0 0.0 8 47 93 1 93 TRP W E E BB - 219 0 -120.0 125.0 178.9 -141.9 26.9 162.3 219 -3.0 219 -2.4 0 0.0 95 -0.9 7 46 94 1 94 PRO P E E BB - 218 0 -80.0 104.7 -177.6 -117.3 40.8 138.5 0 0.0 0 0.0 0 0.0 0 0.0 8 39 95 1 95 ILE I e + 0 0 -49.7 129.9 177.5 132.6 57.7 99.7 217 -1.7 0 0.0 93 -0.9 0 0.0 8 51 96 1 96 ASN N - 0 0 -166.6 170.5 -178.6 -133.1 53.3 163.1 0 0.0 0 0.0 0 0.0 0 0.0 7 54 97 1 97 THR T S S S+ 0 0 -123.0 24.8 -176.4 86.3 83.2 85.2 0 0.0 0 0.0 0 0.0 0 0.0 8 57 98 1 98 LYS K S S S+ 0 0 -107.5 -1.0 -177.6 69.8 70.1 61.2 0 0.0 0 0.0 0 0.0 0 0.0 10 47 99 1 99 GLN Q S S S+ 0 0 -91.4 -23.0 178.1 63.8 87.6 48.7 0 0.0 101 -0.6 0 0.0 0 0.0 9 38 100 1 100 MET M S h > TS- 0 0 -109.9 112.8 -177.0 -147.8 75.4 162.4 0 0.0 104 -1.8 0 0.0 0 0.0 10 36 101 1 101 VAL V H H > TS+ 0 0 -46.3 -45.4 -179.1 54.1 85.8 38.2 99 -0.6 105 -2.3 0 0.0 0 0.0 8 36 102 1 102 GLN Q H H > TS+ 0 0 -63.4 -55.8 178.3 40.2 112.6 17.9 0 0.0 106 -1.6 0 0.0 0 0.0 7 34 103 1 103 MET M H H > TS+ 0 0 -57.8 -43.8 -179.2 56.7 114.3 26.8 0 0.0 107 -2.5 0 0.0 0 0.0 12 42 104 1 104 ARG R H H X TS+ 0 0 -55.8 -49.0 -179.6 49.7 104.9 19.8 100 -1.8 108 -2.7 0 0.0 0 0.0 11 52 105 1 105 ARG R H H < TS+ 0 0 -60.4 -37.2 -179.8 49.4 112.0 29.1 101 -2.3 0 0.0 0 0.0 0 0.0 10 44 106 1 106 LYS K H H < > TS+ 0 0 -67.8 -52.3 179.6 43.3 113.3 16.9 102 -1.6 109 -1.7 0 0.0 0 0.0 9 48 107 1 107 LEU L H H < > TS+ 0 0 -59.6 -41.3 -178.1 62.6 107.7 22.5 103 -2.5 110 -1.9 0 0.0 0 0.0 10 55 108 1 108 GLU E T h < 3 TS+ 0 0 -68.2 2.3 176.0 81.3 80.2 64.8 104 -2.7 0 0.0 0 0.0 0 0.0 11 50 109 1 109 MET M T e < TS+ 0 0 -81.2 -5.3 179.8 49.4 96.7 58.7 106 -1.7 251 -2.4 0 0.0 0 0.0 11 38 110 1 110 PHE F E E AC < TS- 250 0 -130.4 149.8 -179.6 -145.9 73.3 160.8 107 -1.9 0 0.0 0 0.0 0 0.0 12 36 111 1 111 THR T E E A* S+ 0 0 -82.3 -43.9 179.8 26.3 86.7 26.3 249 -1.7 194 -3.0 248 -1.6 195 -0.6 13 36 112 1 112 TYR Y E E ACD - 248 193 -123.4 145.6 -178.3 -178.0 67.4 160.3 248 -1.8 248 -2.6 0 0.0 0 0.0 11 40 113 1 113 LEU L E E ACD - 247 192 -141.7 146.7 177.1 -169.7 9.6 167.7 192 -1.9 192 -3.4 0 0.0 0 0.0 14 48 114 1 114 ARG R E E AC + 246 0 -140.8 121.2 -179.3 128.0 30.9 165.4 246 -2.4 246 -1.9 0 0.0 0 0.0 11 39 115 1 115 PHE F E E A* - 0 0 -164.3 166.9 176.2 -107.9 53.2 171.8 0 0.0 0 0.0 0 0.0 0 0.0 11 41 116 1 116 ASP D E E AC - 243 0 -94.1 163.1 -175.8 -131.6 41.5 127.6 243 -3.0 243 -2.4 0 0.0 0 0.0 12 38 117 1 117 MET M E E ACE - 242 183 -131.0 129.7 177.1 -159.1 14.0 165.9 183 -3.2 183 -2.6 0 0.0 119 -0.5 12 42 118 1 118 GLU E E E ACE - 241 182 -101.4 125.7 -179.6 -163.0 17.9 157.5 241 -2.3 241 -1.7 0 0.0 0 0.0 12 37 119 1 119 VAL V E E ACE - 240 181 -114.5 125.6 178.3 -177.5 8.6 162.0 181 -3.0 181 -1.9 117 -0.5 0 0.0 12 48 120 1 120 THR T E E ACE - 239 180 -121.6 137.8 -179.4 -152.8 10.9 167.3 239 -1.9 239 -2.9 0 0.0 0 0.0 12 43 121 1 121 PHE F E E AC - 238 0 -114.7 134.8 177.2 -164.7 6.0 158.5 179 -2.5 123 -0.6 0 0.0 0 0.0 11 53 122 1 122 VAL V E E AC - 237 0 -117.5 113.0 -179.1 -179.4 14.8 166.9 237 -2.6 237 -2.2 0 0.0 0 0.0 10 45 123 1 123 ILE I E E AC + 236 0 -117.7 126.6 178.8 174.9 2.6 167.6 121 -0.6 0 0.0 0 0.0 0 0.0 10 49 124 1 124 THR T E E AC - 235 0 -130.3 149.5 -179.3 -154.1 12.3 162.6 235 -2.1 235 -2.7 0 0.0 0 0.0 8 38 125 1 125 SER S E E AC - 234 0 -126.9 146.8 179.3 -176.7 9.1 163.7 0 0.0 0 0.0 0 0.0 0 0.0 8 44 126 1 126 ARG R E E AC - 233 0 -140.3 144.4 179.0 -113.9 30.6 170.7 233 -2.2 233 -3.1 0 0.0 0 0.0 7 37 127 1 127 GLN Q E E AC - 232 0 -80.2 129.2 179.8 -117.5 37.7 132.5 0 0.0 0 0.0 0 0.0 0 0.0 8 33 128 1 128 ASP D e - 0 0 -65.6 141.8 179.5 -107.6 32.4 113.5 231 -2.0 0 0.0 0 0.0 0 0.0 8 30 129 1 129 PRO P + 0 0 -68.1 153.6 -179.0 135.0 57.2 108.6 0 0.0 0 0.0 0 0.0 0 0.0 5 21 130 1 130 GLY G - 0 0 -180.0 179.5 -179.1 -84.5 64.7 167.0 0 0.0 0 0.0 0 0.0 0 0.0 5 17 131 1 131 THR T S S S+ 0 0 -73.0 -44.7 178.5 35.0 115.6 24.3 0 0.0 133 -0.6 0 0.0 0 0.0 4 11 132 1 132 THR T + 0 0 -117.5 114.0 -177.6 157.9 61.8 161.8 0 0.0 0 0.0 0 0.0 0 0.0 4 14 133 1 133 LEU L + 0 0 -111.0 -9.2 -179.8 122.3 29.0 60.9 131 -0.6 0 0.0 0 0.0 0 0.0 7 17 134 1 134 ALA A + 0 0 -64.7 117.9 176.3 123.1 34.5 114.7 0 0.0 0 0.0 0 0.0 0 0.0 4 17 135 1 135 GLN Q - 0 0 -161.1 170.9 -178.1 -135.8 52.6 160.8 0 0.0 0 0.0 0 0.0 0 0.0 6 23 136 1 136 ASP D - 0 0 -140.8 83.3 -177.8 -178.1 28.3 138.1 0 0.0 0 0.0 0 0.0 0 0.0 4 18 137 1 137 MET M - 0 0 -90.4 130.3 179.1 -128.6 22.5 136.6 0 0.0 0 0.0 0 0.0 0 0.0 5 29 138 1 138 PRO P - 0 0 -65.9 172.3 -179.2 -63.1 51.1 100.6 0 0.0 0 0.0 0 0.0 0 0.0 4 25 139 1 139 VAL V - 0 0 -60.7 144.1 -179.4 -120.6 57.8 103.4 0 0.0 0 0.0 0 0.0 0 0.0 6 29 140 1 140 LEU L e - 0 0 -91.9 145.8 178.8 -159.9 19.5 133.3 0 0.0 174 -2.5 0 0.0 0 0.0 9 44 141 1 141 THR T E E BF - 173 0 -124.4 133.3 -178.4 -159.7 9.0 163.9 0 0.0 224 -3.0 0 0.0 0 0.0 12 45 142 1 142 HIS H E E BFG - 172 223 -114.1 154.2 177.1 -148.3 7.2 145.2 172 -3.1 172 -2.3 0 0.0 0 0.0 12 58 143 1 143 GLN Q E E BFG - 171 222 -123.2 129.3 178.4 -169.1 8.1 171.9 222 -2.4 222 -1.9 0 0.0 145 -0.5 12 59 144 1 144 ILE I E E BFG - 170 221 -117.9 118.9 -178.8 -173.8 12.4 172.3 170 -2.3 170 -2.3 0 0.0 0 0.0 11 64 145 1 145 MET M E E BFG - 169 220 -120.1 137.3 179.2 -146.3 17.0 160.8 220 -3.4 220 -2.8 143 -0.5 147 -0.6 13 55 146 1 146 TYR Y E E B G - 0 219 -102.0 123.1 -179.9 -163.8 11.4 152.4 168 -2.9 0 0.0 0 0.0 0 0.0 11 48 147 1 147 VAL V E E B G - 0 218 -110.4 103.7 179.5 -144.8 12.4 154.3 218 -2.5 218 -2.1 145 -0.6 0 0.0 14 39 148 1 148 PRO P t > T - 0 0 -60.4 152.7 -179.4 -67.3 49.2 107.0 0 0.0 151 -2.3 0 0.0 0 0.0 9 35 149 1 149 PRO P T T 3 TS+ 0 0 -47.3 121.7 178.8 19.2 123.6 96.4 0 0.0 0 0.0 0 0.0 0 0.0 8 30 150 1 150 GLY G T T 3 TS+ 0 0 104.6 -16.7 179.3 127.4 90.0 76.1 0 0.0 0 0.0 0 0.0 0 0.0 6 21 151 1 151 GLY G S t < TS- 0 0 -71.2 161.3 179.9 -79.5 74.0 107.8 148 -2.3 0 0.0 0 0.0 0 0.0 6 29 152 1 152 PRO P - 0 0 -60.3 131.5 179.4 -142.6 47.5 110.5 0 0.0 0 0.0 0 0.0 0 0.0 6 30 153 1 153 ILE I - 0 0 -103.8 136.3 179.7 -114.8 16.1 145.8 0 0.0 0 0.0 0 0.0 0 0.0 6 37 154 1 154 PRO P - 0 0 -64.8 136.9 178.7 -170.2 21.9 115.3 0 0.0 0 0.0 0 0.0 0 0.0 10 41 155 1 155 ALA A S S S+ 0 0 -102.3 -13.2 -179.8 8.2 72.6 56.7 0 0.0 0 0.0 0 0.0 0 0.0 5 28 156 1 156 LYS K S t > TS- 0 0 -160.6 161.7 -178.0 -96.6 83.3 167.6 0 0.0 159 -1.8 0 0.0 0 0.0 9 36 157 1 157 VAL V T T 3 TS+ 0 0 -55.6 -32.2 -178.4 47.3 119.3 37.5 0 0.0 0 0.0 0 0.0 0 0.0 10 42 158 1 158 ASP D T T 3 TS+ 0 0 -100.1 27.8 179.5 125.6 84.6 88.2 0 0.0 0 0.0 0 0.0 0 0.0 5 35 159 1 159 ASP D g X T - 0 0 -95.2 157.9 -176.3 -111.5 69.7 123.0 156 -1.8 162 -1.8 0 0.0 0 0.0 8 28 160 1 160 TYR Y G G > TS+ 0 0 -46.7 -34.0 -177.4 76.1 105.2 43.8 0 0.0 163 -2.0 0 0.0 0 0.0 6 25 161 1 161 ALA A G G > TS+ 0 0 -54.3 -27.0 -179.6 73.0 79.5 39.8 0 0.0 164 -1.5 0 0.0 0 0.0 8 34 162 1 162 TRP W G G < TS+ 0 0 -69.1 -1.6 177.5 88.9 71.0 63.6 159 -1.8 0 0.0 0 0.0 0 0.0 8 40 163 1 163 GLN Q G G < TS- 0 0 -65.7 -25.3 -179.2 -163.8 73.1 46.6 160 -2.0 0 0.0 0 0.0 0 0.0 5 32 164 1 164 THR T g < T + 0 0 42.1 43.0 -180.0 162.9 24.4 43.1 161 -1.5 0 0.0 0 0.0 0 0.0 9 31 165 1 165 SER S S S S+ 0 0 -58.0 -26.1 -179.4 4.3 85.7 36.1 0 0.0 0 0.0 0 0.0 0 0.0 4 22 166 1 166 THR T S S S+ 0 0 -128.4 -36.0 179.1 85.4 111.5 50.4 0 0.0 0 0.0 0 0.0 0 0.0 4 20 167 1 167 ASN N S S S- 0 0 -69.7 149.4 178.9 -107.3 85.3 116.4 0 0.0 0 0.0 0 0.0 0 0.0 9 30 168 1 168 PRO P e + 0 0 -81.0 136.3 179.6 176.3 44.6 125.4 0 0.0 146 -2.9 0 0.0 0 0.0 8 35 169 1 169 SER S E E BF - 145 0 -135.2 157.2 176.5 -146.2 21.5 161.2 0 0.0 0 0.0 0 0.0 0 0.0 9 43 170 1 170 ILE I E E BF - 144 0 -127.0 130.9 176.0 -158.8 5.3 174.3 144 -2.3 144 -2.3 0 0.0 172 -0.5 9 41 171 1 171 PHE F E E BF + 143 0 -108.4 124.0 -176.7 177.4 22.1 165.7 0 0.0 0 0.0 0 0.0 0 0.0 8 39 172 1 172 TRP W E E BF - 142 0 -134.5 139.5 -178.9 -148.1 19.2 174.0 142 -2.3 142 -3.1 170 -0.5 0 0.0 8 37 173 1 173 THR T E E BF > T - 141 0 -111.5 134.2 -179.2 -107.2 28.5 155.1 0 0.0 176 -1.1 0 0.0 0 0.0 9 33 174 1 174 GLU E T e 3 TS+ 0 0 -56.9 148.3 -179.7 43.5 98.9 95.7 140 -2.5 0 0.0 0 0.0 0 0.0 9 36 175 1 175 GLY G T T 3 TS+ 0 0 100.2 -11.6 -177.9 101.5 96.5 79.6 0 0.0 0 0.0 0 0.0 0 0.0 4 21 176 1 176 ASN N S t < TS- 0 0 -101.4 172.5 178.3 -70.7 86.0 114.8 173 -1.1 0 0.0 0 0.0 0 0.0 5 20 177 1 177 ALA A - 0 0 -59.1 140.9 180.0 -87.6 69.6 107.1 0 0.0 0 0.0 0 0.0 0 0.0 4 19 178 1 178 PRO P - 0 0 -54.5 141.0 179.4 -103.5 49.5 103.2 0 0.0 0 0.0 0 0.0 0 0.0 8 33 179 1 179 ALA A e + 0 0 -64.7 148.1 -178.8 171.8 48.6 107.9 0 0.0 121 -2.5 0 0.0 0 0.0 9 36 180 1 180 ARG R E E AE + 120 0 -159.8 151.0 177.4 161.4 12.3 173.8 0 0.0 0 0.0 0 0.0 0 0.0 8 41 181 1 181 MET M E E AE - 119 0 -164.2 163.5 180.0 -113.4 30.8 166.9 119 -1.9 119 -3.0 0 0.0 0 0.0 7 32 182 1 182 SER S E E AE - 118 0 -108.5 145.8 178.3 -165.9 18.2 147.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30 183 1 183 ILE I E E AE - 117 0 -124.7 136.5 179.9 -131.4 20.6 167.9 117 -2.6 117 -3.2 0 0.0 0 0.0 9 38 184 1 184 PRO P - 0 0 -80.8 -178.2 177.9 -66.1 47.6 98.8 0 0.0 186 -0.9 0 0.0 0 0.0 7 29 185 1 185 PHE F + 0 0 -68.1 106.2 -176.0 176.8 60.5 129.0 0 0.0 0 0.0 0 0.0 0 0.0 8 30 186 1 186 ILE I + 0 0 -101.2 8.4 179.9 127.2 25.5 72.1 184 -0.9 0 0.0 0 0.0 0 0.0 5 35 187 1 187 SER S - 0 0 -62.5 155.8 176.3 -139.3 57.7 102.0 0 0.0 0 0.0 0 0.0 0 0.0 7 31 188 1 188 ILE I S S S+ 0 0 -88.3 -10.1 178.3 64.1 91.4 59.9 0 0.0 0 0.0 0 0.0 0 0.0 4 22 189 1 189 GLY G S S S- 0 0 -100.4 -177.1 -179.0 -102.6 102.6 117.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23 190 1 190 ASN N S S S+ 0 0 -84.2 -12.2 178.3 10.0 103.1 49.5 0 0.0 0 0.0 0 0.0 0 0.0 6 21 191 1 191 ALA A S S S- 0 0 -158.7 154.7 177.5 -99.5 85.4 165.4 0 0.0 0 0.0 0 0.0 0 0.0 8 36 192 1 192 TYR Y E E AD - 113 0 -75.7 142.5 178.4 -136.8 38.2 128.3 113 -3.4 113 -1.9 0 0.0 194 -0.5 9 47 193 1 193 SER S E E AD - 112 0 -105.4 126.1 177.9 -171.6 18.8 156.1 0 0.0 0 0.0 0 0.0 0 0.0 10 48 194 1 194 ASN N S e S+ 0 0 -82.1 -22.4 -179.2 25.7 80.9 41.5 111 -3.0 0 0.0 192 -0.5 0 0.0 11 51 195 1 195 PHE F - 0 0 -137.4 154.4 179.4 -171.3 60.6 158.9 111 -0.6 0 0.0 0 0.0 0 0.0 7 45 196 1 196 TYR Y - 0 0 -151.2 102.6 -179.7 -161.3 9.2 145.9 0 0.0 198 -1.6 0 0.0 0 0.0 10 35 197 1 197 ASP D + 0 0 -87.0 80.4 -178.5 68.0 64.2 132.0 0 0.0 0 0.0 0 0.0 0 0.0 7 27 198 1 198 GLY G S e S- 0 0 -174.3 -176.2 -177.6 -93.3 73.6 172.5 196 -1.6 209 -2.0 0 0.0 0 0.0 7 24 199 1 199 TRP W E E CH - 208 0 -114.6 170.8 178.8 -130.3 19.8 126.1 0 0.0 0 0.0 0 0.0 0 0.0 12 22 200 1 200 SER S E E C* S+ 0 0 -88.5 -34.3 -178.5 64.2 92.0 34.8 207 -1.1 0 0.0 205 -0.7 0 0.0 10 20 201 1 201 ASN N E E >CH > TS- 205 0 -95.2 145.7 -178.8 -133.0 79.8 135.3 205 -2.1 204 -2.0 0 0.0 205 -0.5 8 17 202 1 202 PHE F T T 4 3 TS+ 0 0 -64.7 -22.6 177.5 70.8 106.4 42.5 0 0.0 0 0.0 0 0.0 0 0.0 6 13 203 1 203 ASP D T T 4 3 TS- 0 0 -64.2 -19.4 -173.7 -109.9 119.2 63.5 0 0.0 0 0.0 0 0.0 0 0.0 4 10 204 1 204 GLN Q T T 4 < TS+ 0 0 75.8 47.6 -179.7 100.7 88.8 24.1 201 -2.0 0 0.0 0 0.0 0 0.0 8 14 205 1 205 ARG R E ETS- 0 0 96.8 174.7 -177.2 -37.5 104.1 98.3 198 -2.0 212 -2.5 0 0.0 0 0.0 12 32 210 1 210 TYR Y G G > TS+ 0 0 -51.0 -27.0 -179.6 75.7 117.4 47.3 0 0.0 213 -1.5 0 0.0 0 0.0 13 41 211 1 211 ASN N G G > TS+ 0 0 -59.9 -25.7 -179.5 66.9 83.5 33.3 0 0.0 214 -1.5 0 0.0 0 0.0 9 36 212 1 212 THR T G G < TS+ 0 0 -67.5 -21.4 178.9 47.6 102.1 37.3 209 -2.5 0 0.0 0 0.0 0 0.0 10 37 213 1 213 LEU L G G < TS+ 0 0 -96.6 1.6 -179.0 104.4 86.0 68.3 210 -1.5 215 -1.0 0 0.0 0 0.0 7 38 214 1 214 ASN N g < T + 0 0 -90.1 102.2 176.9 130.5 28.7 137.6 211 -1.5 0 0.0 0 0.0 0 0.0 7 40 215 1 215 ASN N + 0 0 -147.3 66.4 -179.3 131.8 16.7 115.3 213 -1.0 0 0.0 0 0.0 0 0.0 5 35 216 1 216 LEU L - 0 0 -94.0 -7.3 179.8 -124.7 63.3 63.1 0 0.0 0 0.0 0 0.0 0 0.0 9 39 217 1 217 GLY G e - 0 0 97.0 -165.5 -177.6 -63.1 31.2 120.8 0 0.0 95 -1.7 0 0.0 0 0.0 11 35 218 1 218 HIS H E E BBG - 94 147 -127.1 164.7 175.3 -138.2 22.4 147.0 147 -2.1 147 -2.5 0 0.0 0 0.0 12 43 219 1 219 ILE I E E BBG - 93 146 -120.6 130.5 179.5 -169.2 22.2 164.9 93 -2.4 93 -3.0 0 0.0 0 0.0 13 56 220 1 220 TYR Y E E BBG - 92 145 -123.2 133.8 179.8 -178.0 5.5 169.9 145 -2.8 145 -3.4 0 0.0 0 0.0 13 61 221 1 221 VAL V E E BBG + 91 144 -137.3 140.2 179.7 158.6 8.0 174.1 91 -1.8 91 -2.3 0 0.0 0 0.0 11 66 222 1 222 ARG R E E B G - 0 143 -146.4 170.2 175.2 -96.5 44.9 157.9 143 -1.9 143 -2.4 0 0.0 0 0.0 12 64 223 1 223 HIS H E E B G - 0 142 -84.8 149.0 179.9 -130.5 39.2 132.4 0 0.0 0 0.0 0 0.0 0 0.0 12 55 224 1 224 VAL V S e S- 0 0 -73.2 -91.8 176.5 -26.1 81.2 24.8 141 -3.0 0 0.0 0 0.0 0 0.0 8 45 225 1 225 SER S S S S+ 0 0 -117.7 64.0 -173.9 137.4 96.2 109.4 0 0.0 0 0.0 0 0.0 0 0.0 5 37 226 1 226 GLY G + 0 0 -96.1 24.0 179.1 148.4 10.0 86.3 0 0.0 0 0.0 0 0.0 0 0.0 8 40 227 1 227 SER S - 0 0 -60.7 117.8 179.7 -167.0 29.3 113.7 0 0.0 0 0.0 0 0.0 0 0.0 7 38 228 1 228 SER S - 0 0 -107.8 154.2 179.6 -120.1 31.2 141.7 0 0.0 0 0.0 0 0.0 0 0.0 9 37 229 1 229 PRO P S S S+ 0 0 -54.6 -48.5 178.4 30.8 107.2 23.9 0 0.0 0 0.0 0 0.0 0 0.0 6 27 230 1 230 HIS H S S S- 0 0 -111.9 139.1 -179.0 -94.6 108.0 158.2 0 0.0 0 0.0 0 0.0 0 0.0 9 29 231 1 231 PRO P e - 0 0 -59.3 143.0 177.8 -165.1 33.3 99.9 0 0.0 128 -2.0 0 0.0 0 0.0 12 38 232 1 232 ILE I E E A C - 0 127 -123.8 136.5 179.3 -144.3 11.7 165.5 0 0.0 81 -2.5 0 0.0 234 -0.5 12 45 233 1 233 THR T E E AAC - 80 126 -110.4 122.6 177.8 -165.1 11.9 160.2 126 -3.1 126 -2.2 0 0.0 0 0.0 12 46 234 1 234 SER S E E AAC - 79 125 -102.9 145.0 178.1 -157.5 3.6 144.0 79 -2.5 79 -2.3 232 -0.5 0 0.0 12 51 235 1 235 THR T E E AAC - 78 124 -123.0 126.9 178.1 -157.5 5.3 171.8 124 -2.7 124 -2.1 0 0.0 0 0.0 11 46 236 1 236 ILE I E E AAC - 77 123 -107.4 136.4 178.2 -169.3 5.6 155.2 77 -2.5 77 -1.5 0 0.0 0 0.0 11 52 237 1 237 ARG R E E AAC - 76 122 -122.9 127.0 180.0 -153.4 9.3 174.6 122 -2.2 122 -2.6 0 0.0 0 0.0 12 47 238 1 238 VAL V E E AAC - 75 121 -109.8 128.0 -179.3 -162.8 7.2 157.9 75 -2.3 74 -3.1 0 0.0 75 -1.0 12 53 239 1 239 TYR Y E E AAC - 73 120 -109.9 136.2 178.8 -160.0 2.0 154.8 120 -2.9 120 -1.9 0 0.0 0 0.0 13 45 240 1 240 PHE F E E AAC + 72 119 -114.6 137.4 177.5 178.9 9.4 157.4 72 -2.1 72 -1.8 0 0.0 0 0.0 13 52 241 1 241 LYS K E E A C - 0 118 -138.3 101.7 179.7 -147.0 19.8 154.9 118 -1.7 118 -2.3 0 0.0 0 0.0 12 46 242 1 242 PRO P E E A C - 0 117 -68.7 144.5 177.6 -178.4 21.7 120.3 0 0.0 0 0.0 0 0.0 0 0.0 14 48 243 1 243 LYS K E E A C + 0 116 -145.0 148.5 -178.8 30.3 57.7 171.8 116 -2.4 116 -3.0 0 0.0 0 0.0 11 36 244 1 244 HIS H E E A * S- 0 0 67.5 51.3 -175.5 -173.0 90.5 20.1 0 0.0 0 0.0 0 0.0 0 0.0 7 31 245 1 245 THR T E E A * + 0 0 -88.7 148.0 176.7 179.9 29.6 118.6 0 0.0 0 0.0 0 0.0 0 0.0 11 42 246 1 246 ARG R E E A C - 0 114 -140.1 138.8 -178.7 -168.4 11.4 170.0 114 -1.9 114 -2.4 0 0.0 0 0.0 9 37 247 1 247 ALA A E E A C - 0 113 -135.0 142.6 179.5 -164.3 0.9 173.9 0 0.0 0 0.0 0 0.0 0 0.0 11 35 248 1 248 TRP W E E A C + 0 112 -131.2 153.3 179.3 5.9 57.0 162.6 112 -2.6 112 -1.8 0 0.0 111 -1.6 8 28 249 1 249 VAL V E E A * S- 0 0 40.7 85.6 -179.7 -139.6 73.5 14.6 0 0.0 111 -1.7 0 0.0 0 0.0 7 24 250 1 250 PRO P E E A C - 0 110 -67.1 146.0 -179.4 -157.7 17.6 110.6 0 0.0 0 0.0 0 0.0 0 0.0 8 28 251 1 251 ARG R e - 0 0 -126.5 164.4 179.1 -83.2 29.8 146.3 109 -2.4 0 0.0 0 0.0 0 0.0 8 24 252 1 252 PRO P - 0 0 -63.4 145.0 179.7 -101.0 59.2 113.2 0 0.0 0 0.0 0 0.0 0 0.0 5 22 253 1 253 PRO P - 0 0 -65.8 151.4 179.3 -86.7 46.7 109.4 0 0.0 0 0.0 0 0.0 0 0.0 8 27 254 1 254 ARG R + 0 0 -59.9 121.1 179.8 179.4 46.4 115.3 0 0.0 0 0.0 0 0.0 0 0.0 8 36 255 1 255 LEU L + 0 0 -91.2 -46.9 179.8 65.3 59.7 30.4 0 0.0 0 0.0 0 0.0 0 0.0 5 25 256 1 256 CYS C S S S- 0 0 -76.8 148.1 178.2 -101.9 95.1 120.7 0 0.0 0 0.0 0 0.0 0 0.0 8 26 257 1 257 GLN Q - 0 0 -66.3 153.5 179.4 -101.4 43.8 107.5 0 0.0 0 0.0 0 0.0 0 0.0 7 30 258 1 258 TYR Y + 0 0 -77.9 142.6 -179.5 175.2 38.6 125.2 0 0.0 0 0.0 0 0.0 0 0.0 9 28 259 1 259 LYS K + 0 0 -115.9 -35.0 -178.3 34.8 62.6 46.0 265 -0.9 0 0.0 0 0.0 0 0.0 6 22 260 1 260 LYS K t > T - 0 0 -127.0 150.8 178.5 -140.9 61.0 158.6 0 0.0 263 -0.5 0 0.0 0 0.0 7 24 261 1 261 ALA A T T 3 TS+ 0 0 -73.8 -40.0 -177.9 36.1 103.4 24.2 0 0.0 0 0.0 0 0.0 0 0.0 7 35 262 1 262 PHE F T T 3 TS+ 0 0 -107.5 28.6 176.1 52.6 112.6 88.1 0 0.0 0 0.0 0 0.0 0 0.0 7 36 263 1 263 SER S S t < TS- 0 0 -159.3 153.4 -179.2 -123.8 72.7 172.2 260 -0.5 0 0.0 0 0.0 0 0.0 8 37 264 1 264 VAL V + 0 0 -67.9 -14.7 -177.5 147.0 61.8 50.0 0 0.0 0 0.0 0 0.0 0 0.0 7 41 265 1 265 ASP D + 0 0 -32.7 135.6 -177.5 158.7 17.9 75.4 0 0.0 259 -0.9 0 0.0 0 0.0 7 28 266 1 266 PHE F - 0 0 -153.3 174.8 178.7 -113.8 41.3 158.9 0 0.0 0 0.0 0 0.0 0 0.0 8 19 267 1 267 THR T - 0 0 -117.3 128.2 -179.9 -94.6 52.0 162.3 0 0.0 0 0.0 0 0.0 0 0.0 6 15 268 1 268 PRO P - 0 0 -47.2 131.1 179.4 -170.2 45.9 99.5 0 0.0 0 0.0 0 0.0 0 0.0 5 15 269 1 269 THR T - 0 0 -126.3 138.7 179.7 -102.3 26.6 166.8 0 0.0 0 0.0 0 0.0 0 0.0 6 17 270 1 270 PRO P - 0 0 -61.2 150.4 -179.8 -110.2 32.0 105.8 0 0.0 0 0.0 0 0.0 0 0.0 5 13 271 1 271 ILE I S S S- 0 0 -43.9 -50.7 -179.9 -39.9 86.0 31.2 0 0.0 0 0.0 0 0.0 0 0.0 4 14 272 1 272 THR T S S S- 0 0 -163.9 -174.4 179.4 -65.8 77.4 153.5 0 0.0 0 0.0 0 0.0 0 0.0 4 14 273 1 273 ASP D - 0 0 -86.8 162.2 -176.6 -121.0 51.3 120.5 0 0.0 0 0.0 0 0.0 0 0.0 5 13 274 1 274 THR T - 0 0 -105.1 169.8 177.8 -160.1 15.6 117.6 0 0.0 0 0.0 0 0.0 0 0.0 4 14 275 1 275 ARG R - 0 0 -134.8 166.2 -177.0 -98.0 40.1 150.7 0 0.0 0 0.0 0 0.0 0 0.0 6 14 276 1 276 LYS K S S S- 0 0 -60.6 -51.7 176.9 -6.1 93.9 20.2 0 0.0 0 0.0 0 0.0 0 0.0 5 12 277 1 277 ASP D S t > TS- 0 0 -139.5 171.0 -178.3 -98.2 73.4 154.1 0 0.0 280 -1.4 0 0.0 0 0.0 5 11 278 1 278 ILE I T T 3 TS+ 0 0 -65.0 -4.9 180.0 46.8 121.4 61.3 0 0.0 0 0.0 0 0.0 0 0.0 5 11 279 1 279 ASN N T T 3 TS+ 0 0 -115.8 -6.2 -179.6 123.3 77.4 64.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10 280 1 280 THR T t < T + 0 0 -63.1 123.5 -176.1 151.0 18.7 117.1 277 -1.4 0 0.0 0 0.0 0 0.0 7 11 281 1 281 VAL V + 0 0 -134.6 -6.0 178.8 87.8 42.2 63.8 0 0.0 0 0.0 0 0.0 0 0.0 4 10 282 1 282 THR T - 0 0 -88.8 172.7 179.0 -136.0 68.1 110.3 0 0.0 0 0.0 0 0.0 0 0.0 4 10 283 1 283 THR T 0 0 -98.9 -43.7 178.6 999.9 999.9 33.5 0 0.0 0 0.0 0 0.0 0 0.0 3 10 284 1 284 VAL V 0 0 -99.8 999.9 999.9 999.9 999.9 155.3 0 0.0 0 0.0 0 0.0 0 0.0 2 8 1d4m1.pdb 1D4M VIRUS/VIRAL PROTEIN MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand S S B B S TT GGGS HHHHS B B GGGSHHHHH S EEEEEEEEESS SSGGGGSEEEE SSSS Kabs/Sand chirality +--++-+++-------------+-+-++++--++-+---+--++++-------++--++++-++++++---++-+----++-+-++++--+--+-+++- chirality bends S S S SS SSSS SSSSS S SSSSSS S SS SSSSSSS SSSS bends turns TTTT TTTTT TTTTTT TTTTTTTTTTT TTTTTT T turns 5-turns 5-turns 3-turns >33< >>3<< >>3<< >>3<< >>><<< 3-turns bridge-2 bridge-2 bridge-1 A B B A AA*AAAAAA BBBB bridge-1 sheets AAAAAAAAA BBBB sheets 4-turns >>44<< >>>4<<< > 4-turns summary S S B B S tTTt gGGGg hHHHHh B B gGGGhHHHHHhS EEEEEEEEEeS SgGGGGgEEEEe SSSh summary sequence GDVEEAIERAVVHVADTMRSGPSNSASVPALTAVETGHTSQVTPSDTMQTRHVKNYHSRSESTVENFLGRSACVYMEEYKTTDNDVNKKFVAWPINTKQM sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand HHHHHHHTTEEEEEEEEEEEEEEEEEE S EEEEEEE TTS SSTT GGGG SSS EEEEETTS EEEE SSSSEES SEE Kabs/Sand chirality +++++++++-+--+--------+-----+-++++--------------++----+-++-+++-+++-+--+--++---++----++-+-+---+--+--+ chirality bends SSSSSSSSSSS S SSS SSSS SSSS SSS SSS SSSS S S S bends turns TTTTTTTTTT TTTT TTTTTTTTT TTTT turns 5-turns 5-turns 3-turns >>3<< >33< >33X>><<< >33< 3-turns bridge-2 DD EEEE GGGGGG bridge-2 bridge-1 C*CCC*CCCCCCCCCCCC FFFFF FFFFF EEEE DD H* bridge-1 sheets AAAAAAAAAAAAAAAAAA BBBBBBB BBBBB AAAA AA CC sheets 4-turns >>>X<<<< 4-turns summary HHHHHHHheEEEEEEEEEEEEEEEEEEe S eEEEEEEEtTTt StTTgGGGGgSSSeEEEEEeTt eEEEE SSSSEEe eEE summary sequence VQMRRKLEMFTYLRFDMEVTFVITSRQDPGTTLAQDMPVLTHQIMYVPPGGPIPAKVDDYAWQTSTNPSIFWTEGNAPARMSIPFISIGNAYSNFYDGWS sequence 110 120 130 140 150 160 170 180 190 200 author author Kabs/Sand ETTTEEEESGGGG EEEEEESS SS EEEEEEEEEEEEEEEEEEE S TTS SS SSTT Kabs/Sand chirality -+-+++-+-++++++-----+---++--+----------+--+-+--+-----++--++-++-++------------++++- chirality bends SSSS S SSSSS SS SS S S S SSS SS SSSS bends turns TTTTT TTTTTT TTTT TTTT turns 5-turns 5-turns 3-turns >33< >>><<< >33< >33< 3-turns bridge-2 GGGGGG CCCCCCCCCCCC**CCC*C bridge-2 bridge-1 H H**H BBBB AAAAAAAA bridge-1 sheets C CCCC BBBBBB AAAAAAAAAAAAAAAAAAA sheets 4-turns >444< 4-turns summary ETTTEEEEeGGGGg eEEEEEEeS SSeEEEEEEEEEEEEEEEEEEEe S tTTt SS StTTt summary sequence NFDQRGSYGYNTLNNLGHIYVRHVSGSSPHPITSTIRVYFKPKHTRAWVPRPPRLCQYKKAFSVDFTPTPITDTRKDINTVTTV sequence 210 220 230 240 250 260 270 280