Secondary structure calculation program - copyright by David Keith Smith, 1989 1jhjA.pdb 1JHJ CELL CYCLE MOL_ID: 1; MOL_ID: 1; Sequence length - 161 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 2 ALA A 0 0 999.9 159.0 176.1 999.9 999.9 999.9 0 0.0 0 0.0 0 0.0 0 0.0 2 12 2 A 3 THR T t > T - 0 0 -119.5 90.1 -178.7 -168.2 999.9 147.5 0 0.0 5 -2.1 0 0.0 0 0.0 5 16 3 A 4 PRO P T T 3 TS+ 0 0 -51.6 -35.3 179.5 45.9 81.4 39.4 0 0.0 0 0.0 0 0.0 0 0.0 4 12 4 A 5 ASN N T T 3 TS+ 0 0 -100.5 23.3 175.9 135.2 80.7 81.5 0 0.0 0 0.0 0 0.0 0 0.0 5 16 5 A 6 LYS K S t < TS- 0 0 -64.7 151.3 178.9 -92.6 70.2 108.2 2 -2.1 0 0.0 0 0.0 0 0.0 9 28 6 A 7 THR T - 0 0 -66.0 123.2 -179.9 -117.2 45.4 120.2 113 -2.6 0 0.0 0 0.0 0 0.0 9 35 7 A 8 PRO P - 0 0 -65.0 142.0 179.1 -110.2 30.0 114.1 0 0.0 0 0.0 0 0.0 0 0.0 6 30 8 A 9 PRO P - 0 0 -70.6 143.7 179.6 -137.5 35.3 115.2 0 0.0 0 0.0 0 0.0 0 0.0 9 30 9 A 10 GLY G - 0 0 -92.2 -175.3 -179.3 -66.4 32.0 104.4 118 -2.6 0 0.0 0 0.0 0 0.0 8 32 10 A 11 ALA A - 0 0 -72.1 151.8 177.7 -99.8 53.5 109.2 0 0.0 0 0.0 0 0.0 0 0.0 8 32 11 A 12 ASP D h > > T - 0 0 -71.6 124.9 -179.5 -136.8 28.8 126.2 0 0.0 14 -1.3 0 0.0 15 -1.1 7 36 12 A 13 PRO P H H > 3 TS+ 0 0 -55.3 -27.4 179.7 66.4 101.8 39.3 0 0.0 16 -2.3 0 0.0 0 0.0 9 44 13 A 14 LYS K H H > 3 TS+ 0 0 -61.9 -39.2 179.7 55.5 95.5 29.3 0 0.0 17 -2.6 0 0.0 0 0.0 6 34 14 A 15 GLN Q H H > < TS+ 0 0 -60.4 -40.5 178.9 49.8 107.8 24.9 11 -1.3 18 -0.5 0 0.0 0 0.0 8 23 15 A 16 LEU L H H < >>TS+ 0 0 -62.1 -47.1 -179.1 50.0 110.3 19.6 11 -1.1 18 -1.4 0 0.0 20 -0.7 11 30 16 A 17 GLU E H H < >5TS+ 0 0 -61.7 -38.1 -179.2 58.5 103.6 30.3 12 -2.3 19 -1.8 0 0.0 0 0.0 11 27 17 A 18 ARG R H H < 35TS+ 0 0 -68.7 -11.1 179.5 66.7 94.3 49.6 13 -2.6 0 0.0 0 0.0 0 0.0 7 16 18 A 19 THR T T h < <5TS- 0 0 -82.1 -10.2 -178.9 -136.8 101.1 51.7 15 -1.4 0 0.0 14 -0.5 0 0.0 7 17 19 A 20 GLY G T T <5TS+ 0 0 64.7 17.1 -178.8 109.6 75.3 49.8 16 -1.8 0 0.0 0 0.0 0 0.0 8 16 20 A 21 THR T S eT + 0 0 -119.6 16.6 -179.9 112.3 42.8 78.6 157 -2.5 27 -1.9 0 0.0 0 0.0 10 46 25 A 26 GLY G G G > TS+ 0 0 -59.5 -28.0 -179.2 68.4 70.6 36.1 157 -0.5 28 -2.0 0 0.0 0 0.0 9 48 26 A 27 SER S G G 3 TS+ 0 0 -65.0 -15.1 -179.9 62.8 92.0 49.3 0 0.0 0 0.0 0 0.0 0 0.0 6 34 27 A 28 GLN Q G G < TS+ 0 0 -87.5 -4.4 -178.2 74.5 96.3 61.2 24 -1.9 0 0.0 0 0.0 0 0.0 6 31 28 A 29 ALA A S g < TS- 0 0 -109.3 161.9 172.6 -124.7 77.5 132.3 25 -2.0 30 -0.5 0 0.0 0 0.0 10 41 29 A 30 VAL V E E BB - 66 0 -98.9 127.9 -178.5 -153.2 34.4 157.3 66 -2.6 66 -2.8 0 0.0 0 0.0 9 35 30 A 31 TRP W E E BB + 65 0 -107.0 136.4 175.7 172.5 18.4 151.4 28 -0.5 0 0.0 0 0.0 0 0.0 9 40 31 A 32 SER S E E BB - 64 0 -139.7 155.3 -177.4 -150.8 15.2 167.7 64 -2.2 64 -3.1 0 0.0 0 0.0 8 40 32 A 33 LEU L E E BB - 63 0 -126.4 148.4 178.8 -129.0 23.2 159.2 0 0.0 0 0.0 0 0.0 0 0.0 11 46 33 A 34 SER S S e S- 0 0 -63.0 -34.2 178.5 -19.9 91.1 33.6 62 -2.1 0 0.0 0 0.0 0 0.0 9 37 34 A 35 SER S + 0 0 -165.7 163.7 179.4 169.9 67.1 163.3 0 0.0 0 0.0 0 0.0 0 0.0 9 35 35 A 36 CYS C - 0 0 -167.7 177.2 179.8 -111.6 31.0 163.0 0 0.0 0 0.0 0 0.0 0 0.0 12 36 36 A 37 LYS K B B A > T - 39 0 -122.8 138.8 179.7 -86.8 52.2 159.1 39 -1.1 39 -2.6 54 -0.7 0 0.0 10 30 37 A 38 PRO P T T 3 TS+ 0 0 -49.7 124.6 -179.4 14.7 118.1 107.0 0 0.0 0 0.0 0 0.0 0 0.0 5 21 38 A 39 GLY G T T 3 TS+ 0 0 86.0 6.4 -179.2 81.8 115.0 59.1 0 0.0 0 0.0 0 0.0 0 0.0 6 24 39 A 40 PHE F B B A < TS+ 36 0 -141.5 68.1 -177.1 79.4 75.1 123.1 36 -2.6 54 -1.9 0 0.0 36 -1.1 13 38 40 A 41 GLY G S t > TS- 0 0 -144.3 -144.3 -176.1 -26.2 93.5 117.3 0 0.0 43 -1.0 0 0.0 0 0.0 14 40 41 A 42 VAL V T h > > TS+ 0 0 -53.3 -45.0 -179.1 56.3 125.2 31.4 0 0.0 44 -2.0 0 0.0 45 -0.7 10 48 42 A 43 ASP D H H > > TS+ 0 0 -57.3 -34.0 -177.5 55.8 104.0 31.6 0 0.0 45 -0.8 0 0.0 46 -0.7 7 37 43 A 44 GLN Q H H 4 < TS+ 0 0 -78.8 -4.7 175.5 52.2 105.1 58.8 40 -1.0 0 0.0 0 0.0 0 0.0 14 37 44 A 45 LEU L H H 4 < TS+ 0 0 -101.3 -7.6 -175.3 37.6 117.9 59.9 41 -2.0 155 -2.5 0 0.0 0 0.0 14 52 45 A 46 ARG R H H < < TS+ 0 0 -124.6 3.1 -177.0 90.5 88.7 70.9 42 -0.8 0 0.0 41 -0.7 0 0.0 10 44 46 A 47 ASP D S h < TS- 0 0 -86.6 5.8 -177.4 -121.7 89.3 71.2 42 -0.7 0 0.0 0 0.0 0 0.0 7 29 47 A 48 ASP D S S S+ 0 0 55.2 29.5 179.5 124.9 75.0 37.9 0 0.0 49 -0.5 0 0.0 0 0.0 6 34 48 A 49 ASN N t > T - 0 0 -122.3 114.9 -179.0 -168.9 46.0 164.9 0 0.0 51 -0.7 0 0.0 0 0.0 9 30 49 A 50 LEU L T T 3 TS+ 0 0 -79.9 -4.3 178.7 66.2 84.8 59.5 47 -0.5 0 0.0 0 0.0 0 0.0 8 38 50 A 51 GLU E T T 3 TS+ 0 0 -88.7 -17.8 178.2 67.0 94.5 49.6 0 0.0 0 0.0 0 0.0 0 0.0 5 31 51 A 52 THR T t < T - 0 0 -102.1 159.0 -177.2 -176.3 67.6 134.8 48 -0.7 0 0.0 0 0.0 0 0.0 9 35 52 A 53 TYR Y - 0 0 -153.7 157.7 170.5 -113.3 33.4 171.6 0 0.0 0 0.0 0 0.0 0 0.0 13 45 53 A 54 TRP W E E CC - 152 0 -82.6 135.2 172.4 -166.4 34.3 137.0 152 -2.5 152 -1.3 0 0.0 0 0.0 16 52 54 A 55 GLN Q E E CC - 151 0 -125.3 122.9 177.6 -140.3 11.9 172.3 39 -1.9 36 -0.7 0 0.0 0 0.0 12 52 55 A 56 SER S e - 0 0 -72.3 169.0 175.7 -163.8 11.0 102.4 150 -1.7 0 0.0 0 0.0 0 0.0 14 47 56 A 57 ASP D + 0 0 -153.0 77.9 -177.3 52.9 57.2 121.9 0 0.0 0 0.0 0 0.0 0 0.0 8 33 57 A 58 GLY G S S S- 0 0 177.5 -173.0 180.0 -43.5 87.9 169.0 0 0.0 0 0.0 0 0.0 0 0.0 10 29 58 A 59 SER S S S S- 0 0 -81.3 141.2 176.3 -74.8 71.7 124.2 0 0.0 0 0.0 0 0.0 0 0.0 7 27 59 A 60 GLN Q S S S+ 0 0 -68.1 153.5 -0.1 66.1 100.9 112.1 0 0.0 0 0.0 0 0.0 0 0.0 9 35 60 A 61 PRO P S S S- 0 0 -78.5 146.6 178.3 -157.3 72.7 61.3 0 0.0 0 0.0 0 0.0 0 0.0 8 41 61 A 62 HIS H E E B D - 0 140 -90.6 136.0 -175.7 -152.6 14.5 140.4 140 -1.8 140 -3.2 0 0.0 0 0.0 15 46 62 A 63 LEU L E E B D - 0 139 -119.7 140.7 173.6 -168.4 23.1 152.0 0 0.0 33 -2.1 0 0.0 64 -0.5 11 50 63 A 64 VAL V E E BBD - 32 138 -119.3 117.9 179.5 -161.8 19.4 172.4 138 -2.3 138 -2.9 0 0.0 65 -0.5 11 62 64 A 65 ASN N E E BBD - 31 137 -106.4 127.2 -178.4 -173.5 9.0 154.9 31 -3.1 31 -2.2 62 -0.5 66 -0.6 12 54 65 A 66 ILE I E E BBD - 30 136 -122.0 106.1 -176.1 -176.2 12.9 162.0 136 -2.7 136 -2.6 63 -0.5 0 0.0 12 57 66 A 67 GLN Q E E BBD - 29 135 -115.7 129.5 178.3 -159.4 11.4 155.4 29 -2.8 29 -2.6 64 -0.6 0 0.0 10 43 67 A 68 PHE F E E B * - 0 0 -100.8 153.7 179.5 -141.3 19.0 136.6 134 -3.4 0 0.0 0 0.0 0 0.0 11 35 68 A 69 ARG R E E B * S+ 0 0 -77.6 -31.8 -178.9 36.2 90.6 34.9 0 0.0 0 0.0 0 0.0 0 0.0 6 26 69 A 70 ARG R E E B * S- 0 0 -120.3 159.2 178.0 -82.0 105.0 144.3 0 0.0 0 0.0 0 0.0 0 0.0 5 25 70 A 71 LYS K E E B * - 0 0 -60.6 126.1 -175.6 -164.8 58.0 114.2 0 0.0 0 0.0 0 0.0 0 0.0 8 26 71 A 72 THR T E E B D - 0 133 -127.8 135.5 178.7 -128.7 21.6 164.7 133 -2.8 133 -2.7 0 0.0 0 0.0 9 41 72 A 73 THR T E E B D - 0 132 -79.5 124.2 -180.0 -176.9 31.4 132.0 0 0.0 0 0.0 0 0.0 0 0.0 10 41 73 A 74 VAL V E E B D + 0 131 -126.7 133.6 -178.1 168.8 16.3 170.2 131 -3.4 131 -0.9 0 0.0 0 0.0 15 53 74 A 75 LYS K e + 0 0 -109.2 -44.0 -176.8 18.8 62.4 35.8 158 -2.8 123 -2.9 0 0.0 0 0.0 13 48 75 A 76 THR T E E AEF - 158 122 -140.9 138.6 176.5 -159.2 50.6 175.7 158 -1.5 158 -2.9 0 0.0 0 0.0 11 53 76 A 77 LEU L E E AEF - 157 121 -112.2 129.1 179.8 -163.1 14.7 161.8 121 -2.5 121 -3.1 0 0.0 0 0.0 13 66 77 A 78 CYS C E E AEF - 156 120 -118.0 128.7 -179.7 -177.5 7.6 165.9 156 -3.1 156 -2.5 0 0.0 0 0.0 12 59 78 A 79 ILE I E E AEF - 155 119 -125.9 134.3 178.1 -144.8 16.7 169.6 119 -2.2 119 -2.9 0 0.0 80 -0.6 12 71 79 A 80 TYR Y E E AEF + 154 118 -101.5 124.1 -179.4 160.4 28.8 151.0 154 -2.5 153 -1.8 0 0.0 154 -0.6 13 60 80 A 81 ALA A E E A F - 0 117 -141.0 137.0 -179.4 -169.4 16.6 176.5 117 -2.1 117 -2.1 78 -0.6 0 0.0 16 63 81 A 82 ASP D E E >A F> T - 0 116 -138.1 108.6 -177.5 -167.3 9.8 153.4 0 0.0 85 -2.8 0 0.0 84 -0.6 12 48 82 A 83 TYR Y H H > 3 TS+ 0 0 -59.1 -41.6 -178.7 58.4 87.5 33.5 115 -3.1 86 -2.6 0 0.0 0 0.0 11 44 83 A 84 LYS K H H 4 3 TS+ 0 0 -62.1 -31.7 179.4 34.7 117.5 28.5 0 0.0 0 0.0 0 0.0 0 0.0 7 34 84 A 85 SER S H H 4 < TS+ 0 0 -89.3 -34.1 -173.1 34.4 127.8 33.4 81 -0.6 0 0.0 0 0.0 0 0.0 5 32 85 A 86 ASP D H H < > TS+ 0 0 -103.1 -11.6 177.4 175.9 72.8 49.4 81 -2.8 88 -2.8 0 0.0 0 0.0 10 41 86 A 87 GLU E G h < > TS+ 0 0 46.4 -122.6 -176.2 7.3 78.4 100.6 82 -2.6 89 -2.1 0 0.0 0 0.0 10 33 87 A 88 SER S G T 3 TS+ 0 0 -68.5 -7.6 176.4 65.7 125.9 55.1 0 0.0 0 0.0 0 0.0 0 0.0 13 34 88 A 89 TYR Y G T < TS+ 0 0 -87.6 -1.5 -179.1 107.1 78.3 63.3 85 -2.8 151 -2.6 0 0.0 0 0.0 12 47 89 A 90 THR T S e < TS- 0 0 -80.5 122.3 179.4 -119.2 77.9 130.3 86 -2.1 144 -2.6 0 0.0 0 0.0 17 52 90 A 91 PRO P E E BG + 143 0 -58.4 147.6 177.5 178.4 31.5 108.4 0 0.0 0 0.0 0 0.0 0 0.0 15 59 91 A 92 SER S E E B* S+ 0 0 -121.6 -24.4 -179.9 33.8 70.3 59.3 142 -2.6 112 -2.6 0 0.0 0 0.0 13 50 92 A 93 LYS K E E BGH + 142 111 -138.2 123.3 -178.6 177.0 67.8 164.7 142 -1.6 141 -2.5 0 0.0 142 -1.1 12 48 93 A 94 ILE I E E BGH - 140 110 -131.2 138.7 177.0 -159.2 14.3 170.3 110 -2.7 110 -3.2 0 0.0 0 0.0 14 53 94 A 95 SER S E E BGH - 139 109 -114.0 130.5 177.1 -157.8 7.6 163.1 139 -2.6 139 -3.1 0 0.0 96 -0.5 13 41 95 A 96 VAL V E E BGH + 138 108 -111.2 126.1 -176.8 178.7 17.7 163.5 108 -2.7 107 -2.9 0 0.0 108 -1.6 12 54 96 A 97 ARG R E E BGH - 137 106 -126.9 151.2 179.6 -170.8 9.7 155.2 137 -2.4 137 -3.1 94 -0.5 0 0.0 12 48 97 A 98 VAL V E E BGH + 136 105 -138.9 157.4 179.9 118.9 22.9 162.1 105 -1.9 105 -2.5 0 0.0 0 0.0 13 49 98 A 99 GLY G E E BG - 135 0 169.3 -175.4 -178.3 -75.4 67.8 169.6 135 -1.6 135 -1.1 0 0.0 134 -0.9 12 39 99 A 100 ASN N S S S- 0 0 -77.1 -36.1 -178.7 -14.6 104.9 31.0 0 0.0 0 0.0 0 0.0 0 0.0 9 29 100 A 101 ASN N S t > TS- 0 0 -155.3 178.5 -177.4 -77.2 83.2 156.4 0 0.0 103 -1.7 0 0.0 0 0.0 8 31 101 A 102 PHE F T T 3 TS+ 0 0 -57.9 -24.2 -176.2 49.0 125.8 44.3 0 0.0 0 0.0 0 0.0 0 0.0 6 30 102 A 103 HIS H T T 3 TS+ 0 0 -98.3 -4.5 179.7 48.2 109.8 60.0 0 0.0 0 0.0 0 0.0 0 0.0 4 17 103 A 104 ASN N S t < TS+ 0 0 -121.9 27.5 -179.0 137.9 78.6 92.1 100 -1.7 0 0.0 0 0.0 0 0.0 7 19 104 A 105 LEU L - 0 0 -77.4 141.8 176.6 -164.6 33.1 121.0 0 0.0 0 0.0 0 0.0 0 0.0 11 32 105 A 106 GLN Q E E BH - 97 0 -128.2 134.4 179.4 -117.7 23.0 171.8 97 -2.5 97 -1.9 0 0.0 0 0.0 7 30 106 A 107 GLU E E E BH + 96 0 -67.3 130.6 177.9 170.8 33.5 120.6 0 0.0 0 0.0 0 0.0 0 0.0 9 39 107 A 108 ILE I E E B* + 0 0 -114.9 -19.0 176.7 21.7 65.9 54.3 95 -2.9 0 0.0 0 0.0 0 0.0 10 39 108 A 109 ARG R E E BH - 95 0 -148.9 141.4 175.3 -164.7 54.6 173.9 95 -1.6 95 -2.7 0 0.0 0 0.0 9 39 109 A 110 GLN Q E E BH - 94 0 -126.4 120.9 -175.6 -164.9 19.5 171.4 0 0.0 0 0.0 0 0.0 0 0.0 9 34 110 A 111 LEU L E E BH - 93 0 -112.9 132.8 175.9 -160.8 14.0 154.8 93 -3.2 93 -2.7 0 0.0 112 -0.5 7 43 111 A 112 GLU E E E BH - 92 0 -107.7 127.7 -179.1 -160.4 17.0 159.0 0 0.0 113 -0.5 0 0.0 0 0.0 7 37 112 A 113 LEU L e - 0 0 -114.8 128.1 178.1 -165.7 7.7 162.3 91 -2.6 114 -0.6 110 -0.5 0 0.0 11 51 113 A 114 VAL V S S S- 0 0 -115.1 110.5 -179.9 -38.8 72.8 161.1 111 -0.5 6 -2.6 0 0.0 0 0.0 8 42 114 A 115 GLU E S S S- 0 0 40.7 56.0 179.4 -157.7 80.5 29.8 112 -0.6 0 0.0 0 0.0 0 0.0 13 43 115 A 116 PRO P e - 0 0 -60.5 156.3 -175.0 -167.1 14.7 99.2 0 0.0 82 -3.1 0 0.0 0 0.0 14 49 116 A 117 SER S E E AF - 81 0 -140.5 39.9 -179.4 -23.2 58.4 98.1 0 0.0 0 0.0 0 0.0 0 0.0 12 42 117 A 118 GLY G E E AF S+ 80 0 156.7 -145.5 -178.2 10.7 102.8 169.9 80 -2.1 80 -2.1 0 0.0 0 0.0 9 46 118 A 119 TRP W E E AF - 79 0 -79.8 133.2 177.4 -158.6 48.5 124.7 0 0.0 9 -2.6 0 0.0 120 -0.5 13 52 119 A 120 ILE I E E AF - 78 0 -106.2 118.5 179.1 -155.2 9.5 159.2 78 -2.9 78 -2.2 0 0.0 121 -0.5 11 52 120 A 121 HIS H E E AF - 77 0 -99.6 127.5 -179.1 -173.2 10.4 151.0 118 -0.5 0 0.0 0 0.0 0 0.0 10 49 121 A 122 VAL V E E AF - 76 0 -123.2 113.1 179.4 -138.0 18.1 163.7 76 -3.1 76 -2.5 119 -0.5 0 0.0 8 52 122 A 123 PRO P E E AF - 75 0 -68.4 144.2 -178.9 -156.0 7.2 117.8 0 0.0 0 0.0 0 0.0 0 0.0 7 46 123 A 124 LEU L e + 0 0 -116.4 44.0 -179.6 144.7 38.2 102.4 74 -2.9 131 -2.0 0 0.0 0 0.0 12 49 124 A 125 THR T B B B - 130 0 -81.7 158.1 179.6 -130.3 39.6 110.5 0 0.0 0 0.0 0 0.0 0 0.0 11 35 125 A 126 ASP D t > T - 0 0 -92.9 -164.7 -179.5 -75.5 43.7 95.6 129 -2.8 128 -1.5 0 0.0 0 0.0 9 30 126 A 127 ASN N T T 3 TS+ 0 0 -75.1 1.3 178.7 55.0 131.3 65.2 0 0.0 0 0.0 0 0.0 0 0.0 5 20 127 A 128 HIS H T T 3 TS- 0 0 -118.6 20.0 179.8 -109.8 118.2 87.1 0 0.0 0 0.0 0 0.0 0 0.0 5 13 128 A 129 LYS K S t < TS+ 0 0 63.4 8.9 -179.9 125.8 80.0 57.5 125 -1.5 0 0.0 0 0.0 0 0.0 6 18 129 A 130 LYS K S S S- 0 0 -95.9 160.8 179.9 -85.0 74.2 124.8 0 0.0 125 -2.8 0 0.0 0 0.0 7 22 130 A 131 PRO P B B B - 124 0 -60.1 135.6 179.5 -113.1 53.8 112.2 0 0.0 0 0.0 0 0.0 0 0.0 10 36 131 A 132 THR T E E BD - 73 0 -73.6 150.3 176.7 -150.6 19.6 114.4 123 -2.0 73 -3.4 73 -0.9 133 -0.5 11 41 132 A 133 ARG R E E BD + 72 0 -115.7 119.4 -176.5 149.6 38.7 174.7 0 0.0 0 0.0 0 0.0 0 0.0 8 42 133 A 134 THR T E E BD - 71 0 -148.3 171.0 178.2 -133.3 54.9 158.4 71 -2.7 71 -2.8 131 -0.5 0 0.0 12 49 134 A 135 PHE F E E B* S+ 0 0 -100.1 -17.2 -174.2 23.9 89.4 50.5 98 -0.9 67 -3.4 0 0.0 0 0.0 14 40 135 A 136 MET M E E BDG - 66 98 -155.9 142.8 175.7 -163.0 51.6 175.6 98 -1.1 98 -1.6 0 0.0 0 0.0 12 53 136 A 137 ILE I E E BDG - 65 97 -121.5 134.8 174.9 -165.2 13.4 168.8 65 -2.6 65 -2.7 0 0.0 0 0.0 12 65 137 A 138 GLN Q E E BDG - 64 96 -122.0 126.8 176.3 -162.7 3.5 169.5 96 -3.1 96 -2.4 0 0.0 139 -0.6 12 58 138 A 139 ILE I E E BDG - 63 95 -104.4 122.4 -178.9 -167.8 12.2 157.6 63 -2.9 63 -2.3 0 0.0 140 -0.5 11 69 139 A 140 ALA A E E BDG - 62 94 -117.2 121.4 174.0 -152.2 16.1 160.6 94 -3.1 94 -2.6 137 -0.6 141 -0.9 11 56 140 A 141 VAL V E E BDG + 61 93 -86.1 109.1 -178.1 178.8 17.7 144.0 61 -3.2 61 -1.8 138 -0.5 0 0.0 15 56 141 A 142 LEU L E E B * - 0 0 -84.1 -24.7 178.8 -3.8 63.2 45.7 92 -2.5 0 0.0 139 -0.9 0 0.0 12 41 142 A 143 ALA A E E B G - 0 92 -162.6 157.5 176.8 -140.8 60.9 164.8 92 -1.1 91 -2.6 0 0.0 92 -1.6 12 43 143 A 144 ASN N E E B G> T - 0 90 -117.2 165.8 178.0 -84.4 39.0 141.2 0 0.0 146 -0.5 0 0.0 0 0.0 16 44 144 A 145 HIS H G e > TS+ 0 0 -67.3 152.6 173.6 5.3 102.6 109.6 89 -2.6 147 -1.4 0 0.0 0 0.0 12 39 145 A 146 GLN Q G G 3 TS- 0 0 40.0 57.1 174.3 -51.2 131.8 35.2 0 0.0 0 0.0 0 0.0 0 0.0 6 28 146 A 147 ASN N G G < TS+ 0 0 62.8 27.4 -177.9 172.2 84.0 42.7 143 -0.5 0 0.0 0 0.0 0 0.0 6 25 147 A 148 GLY G g < T - 0 0 -74.9 129.4 178.5 -169.1 21.0 121.4 144 -1.4 0 0.0 0 0.0 0 0.0 11 34 148 A 149 ARG R S S S+ 0 0 -76.2 -62.2 -178.8 38.8 71.0 13.1 0 0.0 0 0.0 0 0.0 0 0.0 11 35 149 A 150 ASP D S S S- 0 0 -92.8 158.3 -175.8 -137.7 77.7 120.6 0 0.0 0 0.0 0 0.0 0 0.0 13 44 150 A 151 THR T e - 0 0 -116.3 161.8 175.8 -150.3 5.5 137.5 0 0.0 55 -1.7 0 0.0 0 0.0 15 59 151 A 152 HIS H E E CC + 54 0 -128.2 136.8 170.9 173.7 13.4 173.8 88 -2.6 0 0.0 0 0.0 0 0.0 13 70 152 A 153 MET M E E CC - 53 0 -136.8 138.6 -176.5 -164.1 13.1 170.6 53 -1.3 53 -2.5 0 0.0 0 0.0 13 72 153 A 154 ARG R - 0 0 -99.6 -16.1 178.9 -3.4 68.7 51.7 79 -1.8 0 0.0 0 0.0 0 0.0 15 51 154 A 155 GLN Q E E A E - 0 79 -171.9 145.8 175.2 -163.3 51.4 154.5 79 -0.6 79 -2.5 0 0.0 0 0.0 15 56 155 A 156 ILE I E E A E - 0 78 -137.0 131.5 177.4 -180.0 11.9 174.7 44 -2.5 0 0.0 0 0.0 0 0.0 11 68 156 A 157 LYS K E E A E - 0 77 -129.4 150.2 -179.0 -160.6 9.6 162.6 77 -2.5 77 -3.1 0 0.0 0 0.0 12 60 157 A 158 ILE I E E A E - 0 76 -133.6 132.9 -175.9 -157.3 10.5 176.7 0 0.0 24 -2.5 0 0.0 25 -0.5 12 62 158 A 159 TYR Y E E AAE - 23 75 -121.4 140.9 179.2 -164.9 8.2 157.2 75 -2.9 74 -2.8 0 0.0 75 -1.5 13 51 159 A 160 THR T E E AA - 22 0 -113.4 151.7 -179.9 -95.6 39.4 145.5 22 -2.6 22 -2.0 0 0.0 0 0.0 12 44 160 A 161 PRO P E E AA 21 0 -70.3 140.7 179.7 999.9 999.9 117.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32 161 A 162 VAL V e 0 0 -105.1 999.9 999.9 999.9 999.9 39.9 20 -2.0 0 0.0 0 0.0 0 0.0 6 20 1jhjA.pdb 1JHJ CELL CYCLE MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand TTS HHHHHHTTSEEE GGGSEEEES BTTBSTHHHHSS TT EE SSSSEEEEEEEEEEEEE EEEEEEEHHHHGGGSEEEEEEEEESS Kabs/Sand chirality -++-------++++++-++--+++++--+---+--+++-+++++-+-++-----+--+--------+----++----+--+++++++-+++--+-+--- chirality bends SSS SSSSSSSSS SSSS S SSSSSSSSSSS SS SSSS SS SSSSSSSS S SS bends turns TTTT TTTTTTTTTT TTTTT TTTTTTTTTTT TTTT TTTTTTTTT T turns 5-turns >5555< 5-turns 3-turns >33< >33<>>3<< >>3<< >33<>>><<< >33< >33<>>3<< > 3-turns bridge-2 DDDDDD****DDD FFFFFFF HHHHHH bridge-2 bridge-1 AAA BBBB A A CC BBBB EEEEE G*GGGGGGG bridge-1 sheets AAA BBBB CC BBBBBBBBBBBBB AAAAAAA BBBBBBBBB sheets 4-turns >>>><<<< >>44<< >>44<< 4-turns summary tTTt hHHHHHHhTeEEEeGGGgEEEEe BTTBthHHHHhStTTt EEe SSSSEEEEEEEEEEEEEeEEEEEEEHHHHhTTeEEEEEEEEESt summary sequence ATPNKTPPGADPKQLERTGTVREIGSQAVWSLSSCKPGFGVDQLRDDNLETYWQSDGSQPHLVNIQFRRKTTVKTLCIYADYKSDESYTPSKISVRVGNN sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand TTS EEEEEEE SS EEEEEEE B TTSSBEEEEEEEEEEEEEGGG SS EE EEEEEEE Kabs/Sand chirality +++--++---------+-----+--+-+---+-+-----+---+-+-+--+-------- chirality bends SSS SS S SSSS S SSS SS bends turns TTT TTTT TTTTT turns 5-turns 5-turns 3-turns 33< >33< >>3<< 3-turns bridge-2 GGGGGG*GG EEEEE bridge-2 bridge-1 HH*HHHH FFFFFFF B BDDD*DDDDDD CC AAA bridge-1 sheets BBBBBBB AAAAAAA BBBBBBBBBBBBB CC AAAAAAA sheets 4-turns 4-turns summary TTt EEEEEEEeSSeEEEEEEEeBtTTtSBEEEEEEEEEEEEEeGGgSSeEE EEEEEEEe summary sequence FHNLQEIRQLELVEPSGWIHVPLTDNHKKPTRTFMIQIAVLANHQNGRDTHMRQIKIYTPV sequence 110 120 130 140 150 160