Secondary structure calculation program - copyright by David Keith Smith, 1989 1ax3-.pdb 1AX3 PHOSPHOTRANSFERASE SYSTEM MOL_ID: 1; MOL_ID: 1; Sequence length - 162 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 MET M 0 0 999.9 -46.2 179.1 999.9 999.9 999.9 0 0.0 3 -2.4 0 0.0 0 0.0 2 5 2 2 ILE I - 0 0 -75.4 73.7 -178.3 -163.3 999.9 119.4 0 0.0 4 -2.0 0 0.0 0 0.0 3 7 3 3 ALA A - 0 0 -65.6 79.9 179.6 -178.4 10.9 114.9 1 -2.4 0 0.0 0 0.0 0 0.0 5 9 4 4 GLU E + 0 0 -49.0 -44.8 -177.9 77.1 66.7 33.5 2 -2.0 6 -2.1 0 0.0 0 0.0 4 21 5 5 PRO P + 0 0 -66.4 40.4 176.7 141.2 50.3 91.9 0 0.0 7 -2.5 0 0.0 0 0.0 4 20 6 6 LEU L + 0 0 -79.2 63.5 -175.6 136.5 22.9 114.7 4 -2.1 0 0.0 0 0.0 0 0.0 5 27 7 7 GLN Q - 0 0 -78.3 -50.7 -177.0 -163.6 40.3 22.9 5 -2.5 0 0.0 0 0.0 0 0.0 7 27 8 8 ASN N t > T - 0 0 72.2 154.1 177.7 -104.4 30.6 70.2 0 0.0 11 -0.6 0 0.0 0 0.0 6 24 9 9 GLU E T T 3 TS+ 0 0 -70.4 -62.8 178.1 41.5 122.8 8.5 0 0.0 11 -1.9 0 0.0 0 0.0 4 17 10 10 ILE I T T 3 TS+ 0 0 -79.9 52.1 -179.3 155.4 77.1 105.5 0 0.0 12 -1.9 0 0.0 0 0.0 6 22 11 11 GLY G t < T + 0 0 -78.5 50.5 179.6 119.6 27.3 104.1 9 -1.9 156 -2.6 8 -0.6 13 -0.5 9 29 12 12 GLU E - 0 0 -118.5 82.4 177.4 -174.3 41.6 141.4 10 -1.9 14 -2.7 0 0.0 0 0.0 9 36 13 13 GLU E S S S- 0 0 -76.5 66.8 -179.2 -66.5 78.8 116.4 11 -0.5 0 0.0 0 0.0 0 0.0 7 49 14 14 VAL V S S S+ 0 0 46.9 44.8 -175.9 128.4 109.9 28.5 12 -2.7 0 0.0 0 0.0 0 0.0 7 48 15 15 PHE F + 0 0 -132.6 83.3 172.2 176.3 35.4 135.0 0 0.0 17 -1.4 0 0.0 0 0.0 12 60 16 16 VAL V - 0 0 -87.0 89.9 -179.2 -102.4 56.3 136.4 55 -2.8 0 0.0 0 0.0 0 0.0 14 44 17 17 SER S - 0 0 -13.4 116.2 -174.4 -148.5 31.2 71.1 154 -2.0 153 -3.0 15 -1.4 0 0.0 15 61 18 18 PRO P + 0 0 -71.4 -34.9 -175.2 13.2 65.9 36.8 0 0.0 53 -2.6 0 0.0 0 0.0 13 69 19 19 ILE I - 0 0 -143.3 162.7 174.8 -120.3 64.4 162.9 0 0.0 0 0.0 0 0.0 0 0.0 15 55 20 20 THR T S e S+ 0 0 -101.5 135.6 -179.3 71.4 70.1 149.0 0 0.0 48 -2.7 0 0.0 49 -1.2 11 50 21 21 GLY G E E AAB S- 150 47 162.0 -136.3 -178.1 -35.0 86.9 157.9 150 -2.6 150 -2.5 0 0.0 0 0.0 12 41 22 22 GLU E E E AAB - 149 46 -127.8 124.6 177.0 -138.5 47.1 173.5 46 -2.7 46 -3.0 0 0.0 0 0.0 10 41 23 23 ILE I E E A B + 0 45 -80.2 145.4 176.4 178.4 23.6 125.2 148 -3.0 0 0.0 0 0.0 0 0.0 13 47 24 24 HIS H E E A B - 0 44 -144.0 141.7 176.7 -93.4 37.2 170.7 44 -2.9 44 -3.0 0 0.0 0 0.0 11 44 25 25 PRO P E E A B> T - 0 43 -54.9 145.3 -178.9 -112.7 38.5 103.2 0 0.0 28 -2.3 0 0.0 0 0.0 9 45 26 26 ILE I G e > TS+ 0 0 -47.7 -39.2 179.1 68.1 114.8 34.6 42 -0.6 29 -2.2 0 0.0 0 0.0 14 48 27 27 THR T G G 3 TS+ 0 0 -53.5 -31.6 -178.6 65.4 89.0 39.5 0 0.0 0 0.0 0 0.0 0 0.0 9 32 28 28 ASP D G G < TS+ 0 0 -69.8 -14.3 -175.2 110.6 75.8 54.5 25 -2.3 0 0.0 0 0.0 0 0.0 8 34 29 29 VAL V S g < TS- 0 0 -69.9 130.3 -179.2 -127.7 75.5 119.7 26 -2.2 31 -2.5 0 0.0 0 0.0 12 39 30 30 PRO P S S S+ 0 0 -76.4 62.6 178.6 82.9 83.0 110.1 0 0.0 0 0.0 0 0.0 0 0.0 9 32 31 31 ASP D S h > TS- 0 0 -165.2 132.0 -176.5 -133.5 75.6 152.3 29 -2.5 35 -3.1 0 0.0 0 0.0 6 35 32 32 GLN Q H H > TS+ 0 0 -54.9 -53.1 -177.7 52.4 103.4 25.3 0 0.0 36 -3.0 0 0.0 0 0.0 7 26 33 33 VAL V H H 4 TS+ 0 0 -51.7 -57.0 -179.6 33.8 119.8 19.3 0 0.0 0 0.0 0 0.0 0 0.0 8 31 34 34 PHE F H H 4 > TS+ 0 0 -64.9 -53.5 -178.0 52.7 118.3 15.4 0 0.0 37 -2.3 0 0.0 0 0.0 14 40 35 35 SER S H H < 3 TS+ 0 0 -52.0 -43.0 -177.8 42.7 113.6 30.4 31 -3.1 0 0.0 0 0.0 0 0.0 12 32 36 36 GLY G T h < 3 TS- 0 0 -90.9 13.4 -179.4 -126.7 106.3 77.6 32 -3.0 38 -1.6 0 0.0 0 0.0 8 25 37 37 LYS K t X T + 0 0 69.4 -34.7 -179.6 164.3 49.5 93.3 34 -2.3 40 -2.8 0 0.0 0 0.0 12 35 38 38 MET M T T 3 T + 0 0 26.2 -76.3 -174.3 34.1 66.8 86.5 36 -1.6 0 0.0 0 0.0 0 0.0 7 28 39 39 MET M T T 3 TS- 0 0 -79.5 -16.0 -178.1 -56.7 129.8 52.8 0 0.0 0 0.0 0 0.0 0 0.0 9 35 40 40 GLY G S t < TS- 0 0 178.5 -135.7 175.7 -50.4 71.8 145.0 37 -2.8 0 0.0 0 0.0 0 0.0 10 40 41 41 ASP D E E A C + 0 133 -129.1 163.1 -179.5 112.0 64.1 150.5 133 -2.2 133 -3.0 0 0.0 0 0.0 12 46 42 42 GLY G E E A C - 0 132 167.3 -157.5 179.9 -112.0 43.2 168.3 0 0.0 26 -0.6 0 0.0 0 0.0 12 61 43 43 PHE F E E ABC - 25 131 -162.4 171.1 176.7 -109.7 20.7 163.5 131 -2.2 131 -2.9 0 0.0 0 0.0 12 62 44 44 ALA A E E ABC - 24 130 -111.3 149.2 170.3 -162.1 16.0 149.7 24 -3.0 24 -2.9 0 0.0 0 0.0 14 59 45 45 ILE I E E ABC - 23 129 -124.2 133.6 170.6 -150.6 12.1 173.0 129 -1.6 129 -2.9 0 0.0 0 0.0 13 60 46 46 LEU L E E AB - 22 0 -99.4 108.4 -168.5 -140.8 38.5 162.9 22 -3.0 22 -2.7 0 0.0 0 0.0 12 53 47 47 PRO P E E AB + 21 0 -82.8 161.0 175.6 173.0 38.5 110.4 0 0.0 0 0.0 0 0.0 0 0.0 13 53 48 48 SER S e + 0 0 -124.6 -55.6 178.3 73.4 65.4 54.7 20 -2.7 0 0.0 0 0.0 0 0.0 8 39 49 49 GLU E S S S- 0 0 -68.2 124.2 175.0 -145.8 70.2 122.1 20 -1.2 51 -0.8 0 0.0 0 0.0 9 41 50 50 GLY G S e S+ 0 0 -79.3 37.1 -179.4 88.3 80.5 94.3 0 0.0 115 -2.5 0 0.0 0 0.0 10 44 51 51 ILE I E E BD - 114 0 -138.4 120.6 -174.4 -165.9 62.4 172.1 49 -0.8 53 -0.5 0 0.0 0 0.0 9 44 52 52 VAL V E E BD - 113 0 -120.2 109.3 173.5 -176.6 5.7 160.9 113 -2.7 112 -2.7 0 0.0 113 -1.3 13 56 53 53 VAL V E E B* - 0 0 -89.3 -178.3 -174.7 -99.7 32.5 105.2 18 -2.6 0 0.0 51 -0.5 0 0.0 14 56 54 54 SER S E E BD - 109 0 -109.6 146.2 174.8 -142.4 3.3 148.9 109 -1.5 109 -0.8 0 0.0 0 0.0 14 71 55 55 PRO P S S S- 0 0 -63.3 -44.6 171.5 -14.7 101.2 17.5 0 0.0 16 -2.8 0 0.0 0 0.0 12 65 56 56 VAL V - 0 0 -146.2 145.6 169.7 -171.8 59.8 159.5 0 0.0 0 0.0 0 0.0 0 0.0 13 56 57 57 ARG R + 0 0 -97.3 -75.2 171.5 140.8 36.7 42.8 0 0.0 59 -2.2 0 0.0 73 -0.9 15 51 58 58 GLY G E E AEa S- 106 73 77.2 -78.2 173.9 -9.2 80.6 121.8 106 -1.6 106 -1.9 0 0.0 0 0.0 13 40 59 59 LYS K E E AEF S- 105 73 -151.8 118.7 175.7 -128.3 71.0 153.4 73 -2.4 73 -1.2 57 -2.2 0 0.0 13 38 60 60 ILE I E E A F - 0 72 -66.0 124.8 -177.4 -170.6 23.1 123.8 104 -1.8 0 0.0 0 0.0 0 0.0 15 44 61 61 LEU L E E A * - 0 0 -87.4 -42.5 178.8 -5.2 63.3 30.5 71 -2.1 0 0.0 0 0.0 0 0.0 10 39 62 62 ASN N E E A F - 0 71 -156.9 152.7 -178.4 -117.7 67.9 173.5 71 -2.4 71 -2.9 0 0.0 0 0.0 8 36 63 63 VAL V - 0 0 -82.9 170.6 173.6 -90.6 36.4 104.6 0 0.0 0 0.0 0 0.0 0 0.0 10 37 64 64 PHE F - 0 0 -76.5 135.9 172.9 -153.5 20.2 128.3 0 0.0 0 0.0 0 0.0 0 0.0 9 41 65 65 PRO P S S S+ 0 0 -74.4 -43.3 -177.9 10.5 102.4 24.4 0 0.0 0 0.0 0 0.0 0 0.0 6 30 66 66 THR T S S S- 0 0 -131.4 46.2 179.6 -99.6 113.3 111.4 0 0.0 68 -1.0 0 0.0 0 0.0 8 35 67 67 LYS K S S S+ 0 0 57.2 -17.4 -174.4 99.4 103.5 80.2 0 0.0 0 0.0 0 0.0 0 0.0 13 44 68 68 HIS H S e S+ 0 0 -76.0 -5.9 -173.7 31.6 82.4 63.7 66 -1.0 84 -2.6 0 0.0 0 0.0 14 55 69 69 ALA A E E A G - 0 83 -150.3 160.5 178.1 -175.6 57.2 167.8 0 0.0 0 0.0 0 0.0 0 0.0 12 57 70 70 ILE I E E A G - 0 82 -157.2 157.2 178.2 -133.9 20.0 167.9 82 -1.0 82 -2.3 0 0.0 0 0.0 13 54 71 71 GLY G E E AFG + 62 81 -117.3 128.6 -178.0 177.1 30.2 167.8 62 -2.9 62 -2.4 0 0.0 61 -2.1 13 54 72 72 LEU L E E AFG - 60 80 -124.7 171.7 174.2 -159.8 17.5 139.5 80 -2.6 80 -2.4 0 0.0 0 0.0 14 55 73 73 GLN Q E E AaG - 58 79 -150.5 139.3 176.2 -151.7 10.7 164.3 59 -1.2 59 -2.4 57 -0.9 0 0.0 15 46 74 74 SER S S e S- 0 0 -71.9 -83.1 176.6 -55.1 72.4 15.8 78 -2.5 0 0.0 0 0.0 0 0.0 12 46 75 75 ASP D S S S- 0 0 -121.8 -70.0 178.3 -41.9 104.1 55.1 0 0.0 0 0.0 0 0.0 0 0.0 7 30 76 76 GLY G S S S+ 0 0 -168.6 85.1 -176.6 49.0 126.4 122.5 0 0.0 0 0.0 0 0.0 0 0.0 6 28 77 77 GLY G S S S+ 0 0 169.2 -41.3 177.7 58.1 97.0 86.0 0 0.0 137 -3.0 0 0.0 79 -0.5 9 35 78 78 ARG R e + 0 0 -122.6 109.1 177.7 179.2 56.7 161.9 0 0.0 74 -2.5 0 0.0 0 0.0 12 45 79 79 GLU E E E AG - 73 0 -106.5 130.6 -172.1 -155.9 16.4 153.0 77 -0.5 134 -2.4 0 0.0 0 0.0 14 47 80 80 ILE I E E AGH - 72 133 -120.2 145.2 173.6 -163.2 15.4 154.7 72 -2.4 72 -2.6 0 0.0 0 0.0 11 60 81 81 LEU L E E AGH - 71 132 -124.4 131.5 -179.8 -168.2 15.9 171.1 132 -3.0 132 -2.9 0 0.0 0 0.0 12 53 82 82 ILE I E E AGH - 70 131 -121.9 146.8 169.9 -172.5 11.6 158.9 70 -2.3 70 -1.0 0 0.0 0 0.0 11 68 83 83 HIS H E E AG - 69 0 -135.3 136.2 -177.7 -145.9 16.3 170.9 130 -2.1 85 -0.6 0 0.0 0 0.0 11 67 84 84 PHE F e - 0 0 -107.0 108.4 -176.4 -38.3 63.2 158.2 68 -2.6 0 0.0 0 0.0 0 0.0 11 72 85 85 GLY G S S S- 0 0 63.5 -178.0 179.2 -77.9 82.4 90.1 83 -0.6 0 0.0 127 -0.6 0 0.0 13 65 86 86 ILE I S S S+ 0 0 -118.9 143.5 179.9 11.3 109.1 157.5 126 -2.6 0 0.0 0 0.0 0 0.0 13 46 87 87 ASP D S t > TS+ 0 0 65.7 11.6 178.5 117.0 89.3 56.7 0 0.0 91 -2.1 0 0.0 0 0.0 9 39 88 88 THR T T T 4 >TS+ 0 0 -74.8 -32.5 170.5 59.3 71.7 33.6 0 0.0 93 -2.5 0 0.0 0 0.0 13 46 89 89 VAL V T T 4 >5TS+ 0 0 -54.6 -49.8 177.9 44.6 107.6 19.5 0 0.0 92 -1.6 0 0.0 0 0.0 10 37 90 90 SER S T T 4 35TS+ 0 0 -62.7 -42.4 176.7 57.8 107.9 26.1 0 0.0 0 0.0 0 0.0 0 0.0 6 27 91 91 LEU L T T < >5TS- 0 0 -66.2 -2.5 -179.2 -130.0 109.4 65.6 87 -2.1 94 -2.1 0 0.0 0 0.0 9 33 92 92 LYS K T T <5T - 0 0 51.9 34.1 -178.6 -68.7 60.6 36.2 89 -1.6 0 0.0 0 0.0 0 0.0 9 29 93 93 GLY G T T >> T + 0 0 -71.6 69.1 178.6 168.8 36.2 113.1 95 -3.1 120 -2.9 0 0.0 119 -0.8 9 37 117 117 LEU L H H > 3 TS+ 0 0 -49.1 -42.8 179.6 64.3 71.1 30.1 115 -2.6 121 -3.1 0 0.0 0 0.0 11 45 118 118 ASP D H H 4 3 TS+ 0 0 -50.0 -48.4 -179.8 29.0 114.7 27.9 0 0.0 0 0.0 0 0.0 0 0.0 7 31 119 119 ALA A H H > < TS+ 0 0 -85.5 -31.3 179.4 57.0 118.8 37.7 116 -0.8 123 -0.5 0 0.0 0 0.0 8 30 120 120 VAL V H H < > TS+ 0 0 -64.0 -51.8 -177.3 64.7 96.5 15.7 116 -2.9 123 -2.0 0 0.0 0 0.0 11 40 121 121 LYS K G h < > TS+ 0 0 -41.1 -58.0 178.5 47.9 99.8 33.1 117 -3.1 124 -2.1 0 0.0 0 0.0 10 35 122 122 PRO P G G 4 3 TS+ 0 0 -59.3 -19.3 -179.1 54.8 111.7 44.8 0 0.0 0 0.0 0 0.0 0 0.0 7 25 123 123 ASN N G G < < TS+ 0 0 -98.4 11.4 178.8 63.0 104.5 76.5 120 -2.0 0 0.0 119 -0.5 0 0.0 7 27 124 124 VAL V S g < TS- 0 0 -135.8 151.3 177.7 -135.1 73.1 167.0 121 -2.1 0 0.0 0 0.0 0 0.0 12 34 125 125 PRO P S S S+ 0 0 -73.0 -24.1 179.3 8.4 94.9 42.1 0 0.0 0 0.0 0 0.0 0 0.0 8 26 126 126 SER S - 0 0 -158.8 147.9 178.8 -151.1 50.8 168.1 0 0.0 86 -2.6 0 0.0 0 0.0 9 41 127 127 LEU L + 0 0 -97.5 2.2 -179.8 143.8 48.8 73.3 0 0.0 85 -0.6 0 0.0 0 0.0 11 55 128 128 MET M - 0 0 -52.0 119.2 -179.4 -165.7 32.8 106.4 0 0.0 0 0.0 0 0.0 0 0.0 13 56 129 129 THR T E E AC - 45 0 -111.4 89.5 -178.4 -163.4 11.0 152.6 45 -2.9 45 -1.6 0 0.0 0 0.0 13 71 130 130 PRO P E E AC - 44 0 -81.1 146.6 175.6 -163.1 9.4 123.5 0 0.0 83 -2.1 0 0.0 0 0.0 15 62 131 131 ILE I E E ACH - 43 82 -127.4 126.5 178.9 -173.7 10.1 178.2 43 -2.9 43 -2.2 0 0.0 0 0.0 12 74 132 132 VAL V E E ACH - 42 81 -122.4 147.8 178.6 -154.8 14.8 156.1 81 -2.9 81 -3.0 0 0.0 0 0.0 14 63 133 133 PHE F E E ACH - 41 80 -122.6 125.7 -171.8 -173.8 13.7 169.3 41 -3.0 41 -2.2 0 0.0 0 0.0 13 61 134 134 THR T S e S+ 0 0 -89.1 -82.8 179.3 27.7 74.6 23.8 79 -2.4 0 0.0 0 0.0 0 0.0 11 41 135 135 ASN N S g > TS- 0 0 -47.4 -49.0 178.6 -178.5 72.7 30.8 0 0.0 138 -2.4 0 0.0 0 0.0 9 32 136 136 LEU L G G > > TS- 0 0 42.8 49.0 -176.0 -70.4 73.9 30.1 0 0.0 140 -3.2 0 0.0 139 -2.2 14 40 137 137 ALA A G G 4 3 TS- 0 0 34.8 41.0 -176.3 -77.5 83.7 38.5 77 -3.0 0 0.0 0 0.0 0 0.0 7 28 138 138 GLU E G G 4 < TS+ 0 0 36.9 55.2 175.2 35.3 129.0 36.9 135 -2.4 0 0.0 0 0.0 0 0.0 5 22 139 139 GLY G T g 4 < TS+ 0 0 163.1 -3.5 -179.9 129.9 71.7 69.6 136 -2.2 141 -0.9 0 0.0 0 0.0 7 24 140 140 GLU E t < T - 0 0 -76.6 109.9 171.8 -155.6 42.2 128.3 136 -3.2 0 0.0 0 0.0 0 0.0 9 33 141 141 THR T E E CJ - 161 0 -78.8 138.7 -177.9 -122.5 22.2 129.4 161 -2.5 161 -2.4 139 -0.9 143 -1.5 10 36 142 142 VAL V E E CJ - 160 0 -85.5 84.8 -175.6 -162.5 29.8 130.7 0 0.0 144 -1.4 0 0.0 0 0.0 10 53 143 143 SER S E E CJ - 159 0 -78.3 93.8 177.6 -151.3 6.9 125.8 159 -2.7 159 -2.2 141 -1.5 0 0.0 8 43 144 144 ILE I E E CJ + 158 0 -64.9 130.9 178.0 168.7 24.7 117.5 142 -1.4 0 0.0 0 0.0 0 0.0 8 49 145 145 LYS K e + 0 0 -107.4 -55.4 179.7 63.9 67.6 40.9 157 -2.8 147 -2.6 0 0.0 0 0.0 9 41 146 146 ALA A + 0 0 -74.8 70.2 177.9 172.0 62.2 113.4 157 -2.4 148 -2.4 0 0.0 0 0.0 10 43 147 147 SER S + 0 0 -79.0 63.9 -176.5 29.1 68.1 115.9 145 -2.6 0 0.0 0 0.0 0 0.0 7 34 148 148 GLY G S e S+ 0 0 178.3 -140.9 178.5 6.4 114.3 145.8 146 -2.4 23 -3.0 0 0.0 0 0.0 7 29 149 149 SER S E E AA - 22 0 -66.4 151.8 179.0 -163.1 61.2 108.3 0 0.0 0 0.0 0 0.0 0 0.0 9 32 150 150 VAL V E E AA - 21 0 -134.0 154.1 178.0 -157.7 4.4 159.3 21 -2.5 21 -2.6 0 0.0 0 0.0 13 43 151 151 ASN N t > T - 0 0 -132.9 150.9 178.6 -89.6 32.1 161.4 0 0.0 154 -1.1 0 0.0 0 0.0 10 39 152 152 ARG R T T 3 TS+ 0 0 -57.5 150.3 174.4 7.9 103.3 100.8 0 0.0 0 0.0 0 0.0 0 0.0 11 42 153 153 GLU E T T 3 TS+ 0 0 58.5 3.5 179.0 141.8 93.1 66.1 17 -3.0 0 0.0 0 0.0 0 0.0 11 38 154 154 GLN Q t < T - 0 0 -72.3 164.3 -178.9 -139.3 41.0 104.0 151 -1.1 17 -2.0 0 0.0 0 0.0 9 42 155 155 GLU E S S S+ 0 0 -114.0 168.2 176.9 36.7 75.6 130.2 0 0.0 0 0.0 0 0.0 0 0.0 11 39 156 156 ASP D S S S+ 0 0 51.7 40.5 178.7 116.9 78.9 33.6 11 -2.6 0 0.0 0 0.0 0 0.0 12 37 157 157 ILE I S e S+ 0 0 -99.8 -43.6 173.7 1.5 86.0 36.0 0 0.0 145 -2.8 0 0.0 146 -2.4 10 50 158 158 VAL V E E CJ - 144 0 -142.7 144.0 179.6 -150.7 69.3 167.4 0 0.0 0 0.0 0 0.0 0 0.0 12 58 159 159 LYS K E E CJ - 143 0 -123.6 116.1 173.4 -149.2 7.9 166.1 143 -2.2 143 -2.7 0 0.0 161 -0.9 14 46 160 160 ILE I E E CJ + 142 0 -79.2 104.1 -174.2 146.3 48.2 139.2 0 0.0 0 0.0 0 0.0 0 0.0 10 46 161 161 GLU E E E CJ 141 0 -142.8 158.1 177.2 999.9 999.9 163.8 141 -2.4 141 -2.5 159 -0.9 0 0.0 8 34 162 162 LYS K 0 0 -77.8 999.9 999.9 999.9 999.9 126.0 0 0.0 0 0.0 0 0.0 0 0.0 5 23 1ax3-.pdb 1AX3 PHOSPHOTRANSFERASE SYSTEM MOL_ID: 1; MOL_ID: 1; author author Kabs/Sand TT SS SEEEEEGGGSSSHHHHT TTSEEEEEEE SSEEEES EEEEE SSSSEEEEESSSS EEEEE SSSTTTTTTTTEEES Kabs/Sand chirality --+++--+++--++--+-+--+--+++-+-++++-++--+-----++-+------+-------+-++--+----+++-------+++++---++---+- chirality bends SS SS SS SSSSSSSSSSS SS SS S SS SSSS SSSS SSSSSSS SSS S bends turns TTTT TTTTT TTTTTTTTTT TTTTTTTTTT turns 5-turns >5555< 5-turns 3-turns >33< >>3<< >33X33< >3><><3< 3-turns bridge-2 BBBBB CCCCC aFF*F GGGGG HHH bridge-2 bridge-1 AA BBBBB DD*D EE FFa GGGGG III bridge-1 sheets AAAAA AAAAAAA BBBB AAAAA AAAAA AAAAA BBB sheets 4-turns >>44<< >444< 4-turns summary tTTt SS eEEEEEeGGgShHHHHhtTTtEEEEEEEeSeEEEES EEEEE SSSeEEEEEeSSSeEEEEEeSStTTTTTTTeEEEe summary sequence MIAEPLQNEIGEEVFVSPITGEIHPITDVPDQVFSGKMMGDGFAILPSEGIVVSPVRGKILNVFPTKHAIGLQSDGGREILIHFGIDTVSLKGEGFTSFV sequence 10 20 30 40 50 60 70 80 90 100 author author Kabs/Sand SEE SEEEEEEE HHHHGGGSS EEEEESSGGGT EEEE SEE TT SSSEEEE Kabs/Sand chirality -+-++--++--+---++++++++-+-+------+---++----+++++---++-+++--+ chirality bends SS S S S SSSSSSSSS SSSSSS S SS SSS bends turns TTTTTTTTT TTTTTT TTTT turns 5-turns 5-turns 3-turns >33<>>3<< >>3<< >33< 3-turns bridge-2 III HHH bridge-2 bridge-1 EE D***DD CCCCC JJJJ AA JJJJ bridge-1 sheets AA BBBBBBB AAAAA CCCC AA CCCC sheets 4-turns >>4><<4< >444< 4-turns summary eEE SEEEEEEEhHHHHhGGgS EEEEEegGGGgtEEEEe eEEtTTtSSeEEEE summary sequence SEGDRVEPGQKLLEVDLDAVKPNVPSLMTPIVFTNLAEGETVSIKASGSVNREQEDIVKIEK sequence 110 120 130 140 150 160