==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-APR-11 3RP9 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.K.WERNIMONT,L.CROMBET,J.C.PIZARRO,G.J.CROWTHER,W.C.VAN VOO . 350 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 1 0 0 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 45 A P 0 0 127 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 89.0 -4.5 -3.4 27.0 2 46 A H + 0 0 208 1,-0.2 2,-0.3 2,-0.0 3,-0.0 0.881 360.0 105.0 59.3 46.6 -4.6 -7.3 27.2 3 47 A S S S- 0 0 61 1,-0.1 -1,-0.2 0, 0.0 3,-0.1 -0.978 72.8-137.0-149.8 152.5 -4.8 -7.7 23.5 4 48 A D S S+ 0 0 78 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.503 93.9 83.8 -80.5 -8.6 -2.7 -8.8 20.4 5 49 A W + 0 0 52 2,-0.1 2,-3.2 -4,-0.1 -1,-0.2 -0.602 55.7 178.4-102.3 72.8 -4.2 -5.8 18.6 6 50 A Q + 0 0 106 -2,-1.0 67,-0.1 -3,-0.1 76,-0.1 -0.372 44.7 119.1 -72.4 68.2 -2.2 -2.8 19.7 7 51 A I S S- 0 0 25 -2,-3.2 -2,-0.1 1,-0.1 4,-0.0 -0.879 70.9 -71.0-132.6 161.5 -4.3 -0.6 17.5 8 52 A P > - 0 0 60 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.031 37.4-116.0 -56.6 156.5 -6.6 2.4 18.2 9 53 A D T 3 S+ 0 0 162 1,-0.3 -2,-0.0 3,-0.1 0, 0.0 0.836 107.8 81.9 -51.3 -41.8 -9.9 2.1 20.0 10 54 A R T 3 S+ 0 0 90 14,-0.1 15,-1.7 2,-0.1 2,-0.5 0.689 86.7 61.3 -36.7 -32.8 -11.4 3.3 16.7 11 55 A Y E < S-A 24 0A 10 -3,-1.6 2,-0.7 13,-0.2 13,-0.2 -0.925 73.0-158.8-105.0 125.5 -11.2 -0.3 15.5 12 56 A E E -A 23 0A 55 11,-1.3 11,-1.1 -2,-0.5 -3,-0.1 -0.913 19.9-133.4-105.3 108.7 -13.3 -2.9 17.5 13 57 A I E +A 22 0A 53 -2,-0.7 9,-0.2 9,-0.2 10,-0.0 -0.127 37.4 154.9 -54.9 153.6 -11.9 -6.4 16.9 14 58 A R + 0 0 141 7,-1.7 8,-0.2 1,-0.1 -1,-0.1 0.398 48.1 9.9-143.0 -70.9 -14.4 -9.3 16.1 15 59 A H 0 0 132 6,-0.6 -1,-0.1 1,-0.1 -2,-0.0 0.370 360.0 360.0-104.2-138.1 -13.5 -12.5 14.1 16 60 A L 0 0 117 4,-0.1 -1,-0.1 2,-0.0 4,-0.1 -0.832 360.0 360.0-163.7 360.0 -10.3 -14.3 12.8 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 68 A H 0 0 143 0, 0.0 16,-3.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -14.6 -2.8 -13.2 11.7 19 69 A V E + B 0 33A 63 14,-0.2 2,-0.3 12,-0.0 14,-0.2 -0.990 360.0 177.4-134.2 135.0 -6.1 -11.6 10.3 20 70 A C E - B 0 32A 5 12,-2.5 12,-2.8 -2,-0.4 2,-0.3 -0.895 28.6-119.6-127.6 157.3 -9.3 -10.4 12.0 21 71 A E E + B 0 31A 51 -2,-0.3 -7,-1.7 10,-0.2 -6,-0.6 -0.718 41.1 170.1 -86.6 145.5 -12.6 -8.7 11.1 22 72 A A E -AB 13 30A 0 8,-2.3 8,-2.3 -2,-0.3 2,-0.5 -0.965 31.5-116.3-153.4 164.3 -13.2 -5.2 12.7 23 73 A Y E -AB 12 29A 102 -11,-1.1 -11,-1.3 -2,-0.3 2,-0.8 -0.942 19.8-148.5-113.9 127.1 -15.5 -2.2 12.7 24 74 A D E -A 11 0A 1 4,-2.8 2,-1.2 -2,-0.5 -13,-0.2 -0.805 3.6-157.6 -97.0 105.3 -14.3 1.3 11.7 25 75 A K 0 0 85 -15,-1.7 -2,-0.0 -2,-0.8 4,-0.0 -0.741 360.0 360.0 -73.2 98.9 -16.0 4.2 13.5 26 76 A L 0 0 101 -2,-1.2 -2,-0.1 0, 0.0 0, 0.0 -0.988 360.0 360.0 128.3 360.0 -15.0 6.6 10.7 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 79 A R 0 0 124 0, 0.0 -4,-2.8 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 142.2 -17.7 0.5 7.7 29 80 A V E +B 23 0A 57 -6,-0.2 58,-0.4 58,-0.0 2,-0.3 -0.465 360.0 173.9 -76.9 154.3 -16.4 -3.1 8.3 30 81 A V E -B 22 0A 0 -8,-2.3 -8,-2.3 56,-0.1 2,-0.3 -0.957 30.0-116.5-154.2 164.6 -12.8 -3.8 7.5 31 82 A A E -BC 21 85A 14 54,-2.9 54,-3.4 -2,-0.3 2,-0.4 -0.873 22.8-159.1-109.8 146.8 -10.1 -6.6 7.8 32 83 A I E -BC 20 84A 0 -12,-2.8 -12,-2.5 -2,-0.3 2,-0.5 -0.984 2.4-162.1-129.3 120.8 -6.9 -6.1 9.9 33 84 A K E -BC 19 83A 44 50,-3.0 50,-2.6 -2,-0.4 2,-0.6 -0.877 5.0-154.9-104.3 128.6 -3.8 -8.1 9.3 34 85 A K E - C 0 82A 13 -16,-3.1 2,-0.8 -2,-0.5 48,-0.2 -0.921 7.5-157.1-102.2 122.0 -1.1 -8.4 12.0 35 86 A I E - C 0 81A 18 46,-3.1 46,-1.2 -2,-0.6 3,-0.4 -0.867 12.3-163.3-104.3 106.4 2.3 -9.1 10.6 36 87 A L + 0 0 83 -2,-0.8 44,-0.2 1,-0.2 -2,-0.0 -0.447 65.3 18.0 -84.9 156.6 4.6 -10.7 13.2 37 88 A R S > S+ 0 0 158 42,-0.4 3,-0.6 -2,-0.1 4,-0.5 0.902 70.2 171.5 51.9 52.0 8.4 -11.0 13.0 38 89 A V T 3 S+ 0 0 1 41,-2.2 3,-0.2 -3,-0.4 10,-0.1 0.877 72.8 31.2 -58.8 -42.4 8.7 -8.4 10.3 39 90 A F T 3 S+ 0 0 9 1,-0.2 -1,-0.2 40,-0.1 3,-0.1 0.307 88.2 97.1-107.4 8.6 12.5 -8.1 10.4 40 91 A E S < S+ 0 0 133 -3,-0.6 2,-0.5 1,-0.2 -1,-0.2 0.931 94.9 29.4 -64.9 -45.8 13.7 -11.6 11.3 41 92 A D S > S- 0 0 75 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 -0.979 73.8-152.5-117.2 125.1 14.3 -12.7 7.7 42 93 A L H > S+ 0 0 69 -2,-0.5 4,-1.1 2,-0.2 288,-0.2 0.525 93.2 52.3 -80.4 -8.1 15.4 -9.9 5.3 43 94 A I H > S+ 0 0 90 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.852 112.7 43.6 -89.1 -45.5 14.0 -11.6 2.2 44 95 A D H > S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 114.6 53.1 -61.9 -37.7 10.5 -12.1 3.7 45 96 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.958 107.5 49.3 -61.1 -54.1 10.7 -8.6 5.1 46 97 A K H X S+ 0 0 16 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.892 111.7 50.5 -50.8 -44.0 11.5 -7.1 1.7 47 98 A R H X S+ 0 0 97 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.870 107.9 50.7 -67.4 -38.2 8.6 -9.0 0.2 48 99 A I H X S+ 0 0 29 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.921 112.1 49.6 -61.7 -44.6 6.2 -7.8 2.9 49 100 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.873 110.6 49.0 -57.8 -43.9 7.4 -4.3 2.1 50 101 A R H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.909 109.1 54.2 -62.2 -44.6 6.9 -4.9 -1.7 51 102 A E H X S+ 0 0 30 -4,-2.5 4,-1.6 2,-0.2 98,-0.2 0.889 115.1 38.5 -55.4 -45.6 3.4 -6.2 -0.9 52 103 A I H X S+ 0 0 3 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.924 114.6 51.7 -76.5 -46.4 2.4 -3.0 0.9 53 104 A A H X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.839 112.3 46.4 -62.5 -36.3 4.2 -0.5 -1.3 54 105 A I H >X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 3,-0.8 0.933 113.8 48.0 -71.0 -44.8 2.6 -1.9 -4.5 55 106 A L H 3< S+ 0 0 9 -4,-1.6 3,-0.5 -5,-0.3 11,-0.3 0.927 107.7 57.0 -60.2 -42.2 -0.9 -2.0 -2.9 56 107 A N H 3< S+ 0 0 14 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.758 112.9 40.4 -58.3 -28.8 -0.5 1.5 -1.6 57 108 A R H << S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.579 97.5 87.5-100.3 -15.3 0.2 2.7 -5.1 58 109 A L < - 0 0 11 -4,-1.5 2,-0.2 -3,-0.5 63,-0.0 -0.579 52.6-174.6 -82.5 150.1 -2.5 0.7 -7.0 59 110 A N + 0 0 116 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.704 30.7 110.9-149.8 94.7 -6.0 2.2 -7.3 60 111 A H > - 0 0 17 3,-0.4 3,-1.7 -2,-0.2 -2,-0.0 -0.973 66.6-116.3-164.3 147.3 -8.7 0.1 -8.9 61 112 A D T 3 S+ 0 0 116 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.618 114.8 54.2 -58.2 -23.4 -12.0 -1.7 -7.8 62 113 A H T 3 S+ 0 0 19 54,-0.1 84,-2.1 83,-0.1 2,-0.4 0.234 98.6 71.2-102.8 8.5 -10.5 -5.0 -8.8 63 114 A V B < S-e 146 0B 2 -3,-1.7 -3,-0.4 82,-0.3 84,-0.2 -0.997 91.8-109.4-122.8 135.6 -7.4 -4.6 -6.6 64 115 A V - 0 0 7 82,-2.5 2,-0.3 -2,-0.4 -6,-0.1 -0.262 35.2-130.3 -64.5 144.9 -7.7 -4.8 -2.8 65 116 A K - 0 0 62 -4,-0.1 21,-2.1 -6,-0.1 2,-0.5 -0.783 2.9-137.9-103.4 139.5 -7.2 -1.5 -0.9 66 117 A V E -D 85 0A 13 -2,-0.3 19,-0.2 -11,-0.3 3,-0.1 -0.835 20.6-177.6 -86.3 124.4 -5.0 -0.7 2.0 67 118 A L E - 0 0 41 17,-3.4 2,-0.3 -2,-0.5 18,-0.2 0.671 61.8 -16.5 -96.2 -22.2 -7.1 1.5 4.2 68 119 A D E -D 84 0A 8 16,-1.3 16,-3.1 2,-0.0 2,-0.4 -0.951 44.8-146.5-177.1 148.0 -4.5 2.3 6.9 69 120 A I E -D 83 0A 2 -2,-0.3 14,-0.2 14,-0.2 2,-0.2 -0.989 37.2-122.8-127.2 127.2 -1.2 1.2 8.4 70 121 A V - 0 0 12 12,-2.1 12,-0.4 -2,-0.4 273,-0.1 -0.439 23.6-104.1 -81.5 141.4 -1.0 1.8 12.1 71 122 A I - 0 0 73 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.401 40.1-122.5 -57.8 117.1 1.7 3.9 13.8 72 123 A P - 0 0 16 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.397 14.9-122.3 -60.1 141.9 4.3 1.6 15.5 73 124 A K S S+ 0 0 120 1,-0.3 2,-0.4 -67,-0.1 -2,-0.0 0.913 104.7 16.7 -50.9 -49.5 4.7 2.1 19.2 74 125 A D >> - 0 0 53 1,-0.1 4,-2.4 2,-0.0 3,-1.3 -0.928 67.3-158.8-129.8 110.8 8.4 2.7 18.6 75 126 A V T 34 S+ 0 0 23 -2,-0.4 -1,-0.1 -3,-0.4 265,-0.1 0.751 95.2 51.4 -56.1 -27.0 9.5 3.5 15.0 76 127 A E T 34 S+ 0 0 81 1,-0.1 -1,-0.3 276,-0.1 260,-0.1 0.701 123.5 22.9 -81.9 -22.6 13.1 2.4 15.9 77 128 A K T <4 S+ 0 0 153 -3,-1.3 -2,-0.2 -5,-0.0 -1,-0.1 0.544 80.1 129.6-126.8 -12.6 12.3 -1.0 17.4 78 129 A F < + 0 0 11 -4,-2.4 3,-0.0 1,-0.1 -39,-0.0 -0.134 23.3 176.6 -55.8 146.4 8.9 -2.3 16.1 79 130 A D + 0 0 35 -41,-0.1 -41,-2.2 -40,-0.0 -42,-0.4 0.034 63.2 64.9-135.3 16.4 8.9 -5.9 14.8 80 131 A E - 0 0 91 -43,-0.2 2,-0.3 -44,-0.2 -44,-0.2 -0.942 60.6-162.2-139.3 155.2 5.2 -6.1 14.1 81 132 A L E -C 35 0A 4 -46,-1.2 -46,-3.1 -2,-0.3 2,-0.5 -0.998 11.0-150.5-143.6 149.2 2.8 -4.3 11.7 82 133 A Y E -C 34 0A 33 -12,-0.4 -12,-2.1 -2,-0.3 2,-0.5 -0.966 15.5-172.9-119.0 114.3 -1.0 -3.7 11.5 83 134 A V E -CD 33 69A 6 -50,-2.6 -50,-3.0 -2,-0.5 2,-0.5 -0.947 12.8-148.8-110.8 122.7 -2.3 -3.3 8.0 84 135 A V E -CD 32 68A 0 -16,-3.1 -17,-3.4 -2,-0.5 -16,-1.3 -0.838 25.5-174.9 -95.3 127.1 -6.0 -2.4 7.7 85 136 A L E -CD 31 66A 25 -54,-3.4 -54,-2.9 -2,-0.5 2,-0.2 -0.798 35.1 -96.9-128.9 154.1 -7.6 -3.7 4.5 86 137 A E - 0 0 47 -21,-2.1 2,-0.3 -2,-0.3 -56,-0.1 -0.528 51.7-131.5 -63.1 131.3 -10.8 -3.7 2.4 87 138 A I - 0 0 55 -58,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.656 21.4-164.8 -93.6 149.2 -12.6 -6.9 3.5 88 139 A A - 0 0 22 -2,-0.3 51,-0.2 1,-0.1 56,-0.0 -0.945 29.6-118.9-130.1 156.2 -14.0 -9.4 1.2 89 140 A D S S- 0 0 104 -2,-0.3 2,-0.2 1,-0.0 50,-0.2 0.811 82.0 -43.1 -62.9 -32.3 -16.5 -12.2 1.9 90 141 A S E -F 138 0B 35 48,-2.1 48,-2.4 -3,-0.0 2,-0.3 -0.859 56.0-107.2-168.4-165.3 -14.1 -15.0 0.9 91 142 A D E > -F 137 0B 19 46,-0.3 4,-2.5 -2,-0.2 46,-0.2 -0.962 35.2-101.3-144.6 167.5 -11.5 -16.1 -1.6 92 143 A F H > S+ 0 0 0 44,-2.4 4,-2.9 41,-0.8 42,-0.2 0.875 117.7 56.3 -55.3 -43.9 -11.3 -18.6 -4.5 93 144 A K H > S+ 0 0 111 40,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.936 113.1 39.8 -57.3 -50.2 -9.4 -21.2 -2.4 94 145 A K H > S+ 0 0 118 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.846 112.6 57.6 -65.7 -35.7 -12.1 -21.2 0.3 95 146 A L H >< S+ 0 0 30 -4,-2.5 3,-1.2 1,-0.2 5,-0.4 0.932 105.4 50.2 -60.3 -44.5 -14.8 -21.1 -2.3 96 147 A F H 3< S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 107.5 53.1 -63.2 -37.4 -13.5 -24.2 -3.9 97 148 A R H 3< S+ 0 0 190 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.618 91.7 104.5 -68.7 -14.1 -13.4 -26.0 -0.5 98 149 A T S << S- 0 0 48 -3,-1.2 2,-0.8 -4,-0.7 -3,-0.0 -0.433 81.1-122.5 -79.7 143.4 -17.0 -25.1 -0.0 99 150 A P S S+ 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.069 78.8 103.0 -75.7 32.0 -19.8 -27.7 -0.5 100 151 A V - 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