==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-07 2PML . COMPND 2 MOLECULE: SER/THR PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.MERCKX,A.ECHALIER,M.NOBLE,J.ENDICOTT . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 219 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 16.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 32 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 0 1 0 0 1 0 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 2 4 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 1 0 0 0 1 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 -4 X G 0 0 102 0, 0.0 2,-1.0 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 -79.6 7.8 24.0 -7.9 2 -3 X P - 0 0 134 0, 0.0 86,-0.0 0, 0.0 0, 0.0 -0.820 360.0-148.9 -87.6 94.3 10.1 21.2 -9.0 3 -2 X L - 0 0 52 -2,-1.0 3,-0.1 85,-0.1 89,-0.1 -0.021 6.7-116.7 -63.2 166.0 8.7 18.3 -6.9 4 -1 X G - 0 0 35 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.413 52.3 -41.6 -83.8-145.4 10.6 15.3 -5.5 5 0 X S > - 0 0 53 1,-0.1 4,-2.5 86,-0.0 -1,-0.2 -0.354 58.0-103.7 -81.3 168.7 10.4 11.6 -6.2 6 1 X M H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.934 122.8 54.2 -56.3 -49.8 7.2 9.6 -6.6 7 2 X K H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 109.2 48.2 -47.0 -52.7 7.6 8.2 -3.0 8 3 X D H >4 S+ 0 0 96 2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.976 112.0 48.5 -54.8 -59.8 7.9 11.7 -1.6 9 4 X I H 3< S+ 0 0 27 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.846 120.0 38.3 -45.8 -44.9 4.8 13.0 -3.5 10 5 X L H >< S+ 0 0 1 -4,-2.7 3,-3.5 -5,-0.2 -1,-0.3 0.631 85.2 100.9 -87.8 -14.0 2.8 10.0 -2.4 11 6 X S T << S+ 0 0 79 -4,-1.9 -1,-0.2 -3,-1.0 -2,-0.1 0.767 89.5 42.1 -45.2 -36.3 4.2 9.8 1.2 12 7 X N T 3 S+ 0 0 165 -4,-0.5 2,-0.5 -3,-0.4 -1,-0.3 0.048 86.2 111.4-102.2 26.8 1.1 11.6 2.6 13 8 X Y X - 0 0 37 -3,-3.5 3,-0.6 1,-0.1 -3,-0.0 -0.867 56.1-155.3 -92.3 129.4 -1.5 9.7 0.4 14 9 X S T 3 S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.265 83.9 50.4 -96.4 12.5 -3.5 7.5 2.7 15 10 X N T 3 + 0 0 71 2,-0.0 96,-2.0 96,-0.0 2,-0.6 -0.188 67.6 143.2-138.5 51.4 -4.6 4.9 0.2 16 11 X L E < -a 111 0A 56 -3,-0.6 2,-0.4 94,-0.2 96,-0.2 -0.817 33.5-160.1 -91.3 118.7 -1.3 3.9 -1.5 17 12 X I E -a 112 0A 52 94,-3.5 96,-2.5 -2,-0.6 2,-0.3 -0.803 19.0-115.5-107.8 140.7 -1.4 0.2 -2.3 18 13 X Y E -a 113 0A 195 -2,-0.4 96,-0.2 94,-0.2 2,-0.1 -0.562 41.7-106.9 -70.4 129.9 1.5 -2.2 -3.0 19 14 X L + 0 0 10 94,-1.5 2,-0.3 -2,-0.3 -1,-0.1 -0.370 42.5 172.5 -63.2 130.0 1.4 -3.6 -6.6 20 15 X N + 0 0 78 -2,-0.1 11,-2.6 2,-0.1 2,-0.3 -0.821 2.9 177.8-144.7 94.9 0.3 -7.2 -6.8 21 16 X K E +B 30 0A 112 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.773 16.7 143.5 -98.5 147.0 -0.3 -8.7 -10.3 22 17 X Y E -B 29 0A 60 7,-1.4 7,-2.6 -2,-0.3 2,-0.4 -0.960 40.9-115.3-173.1 158.8 -1.2 -12.3 -10.7 23 18 X V E -B 28 0A 85 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.895 15.5-173.9-109.1 139.4 -3.3 -14.8 -12.7 24 19 X K S S- 0 0 135 3,-1.7 3,-0.0 -2,-0.4 -2,-0.0 -0.818 82.7 -26.8-129.7 92.2 -6.2 -16.9 -11.4 25 20 X E S S- 0 0 175 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.964 122.7 -50.5 66.6 58.1 -7.3 -19.3 -14.2 26 21 X K S S+ 0 0 188 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.742 109.7 115.0 46.1 34.5 -6.2 -17.1 -17.2 27 22 X D - 0 0 60 -3,-0.0 -3,-1.7 2,-0.0 2,-0.3 -0.997 64.7-134.1-114.8 128.9 -7.9 -13.9 -16.0 28 23 X K E -B 23 0A 145 -2,-0.4 7,-2.8 7,-0.4 2,-0.4 -0.685 24.1-160.9 -85.2 136.2 -5.2 -11.3 -15.3 29 24 X Y E -BC 22 34A 47 -7,-2.6 -7,-1.4 -2,-0.3 2,-0.5 -0.904 22.6-160.1-120.2 144.6 -5.6 -9.4 -12.0 30 25 X I E > S-BC 21 33A 8 3,-3.4 3,-2.1 -2,-0.4 -9,-0.2 -0.890 83.3 -42.7-114.2 97.1 -4.3 -6.1 -10.6 31 26 X N T 3 S- 0 0 19 -11,-2.6 -10,-0.1 -2,-0.5 3,-0.1 0.877 123.4 -36.7 58.7 47.8 -4.8 -6.4 -6.8 32 27 X D T 3 S+ 0 0 103 1,-0.2 2,-0.9 -12,-0.2 -1,-0.3 0.067 114.9 119.4 85.7 -24.0 -8.3 -8.0 -6.8 33 28 X Y E < -C 30 0A 19 -3,-2.1 -3,-3.4 19,-0.1 2,-0.5 -0.664 61.3-143.7 -75.9 107.5 -9.1 -5.8 -9.8 34 29 X R E -CD 29 51A 85 17,-3.1 17,-1.2 -2,-0.9 2,-0.7 -0.635 13.7-127.6 -75.2 119.0 -9.9 -8.3 -12.6 35 30 X I E + D 0 50A 40 -7,-2.8 -7,-0.4 -2,-0.5 15,-0.2 -0.566 34.1 171.0 -70.7 110.6 -8.7 -7.0 -16.0 36 31 X I E - 0 0 52 13,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.954 59.7 -52.0 -79.3 -68.7 -11.6 -7.1 -18.4 37 32 X R E - D 0 49A 140 12,-0.9 12,-3.0 0, 0.0 2,-0.4 -0.921 59.9 -87.7-159.0 173.1 -10.2 -5.2 -21.4 38 33 X T E - D 0 48A 69 -2,-0.3 10,-0.3 10,-0.2 3,-0.2 -0.822 27.7-162.1 -97.9 134.1 -8.5 -1.9 -22.1 39 34 X L E S+ 0 0 63 8,-1.6 2,-0.3 -2,-0.4 9,-0.2 0.848 74.4 7.6 -81.1 -36.6 -10.8 1.1 -22.8 40 35 X N E - D 0 47A 93 7,-1.1 7,-2.1 2,-0.0 2,-1.1 -0.914 58.3-152.6-155.6 114.1 -8.3 3.5 -24.4 41 36 X Q - 0 0 112 -2,-0.3 4,-0.1 5,-0.2 7,-0.0 -0.791 25.5-170.7 -92.0 95.8 -4.7 3.0 -25.4 42 37 X G - 0 0 21 -2,-1.1 -2,-0.0 1,-0.1 0, 0.0 -0.000 40.9 -97.5 -65.6-177.4 -3.2 6.4 -25.2 43 38 X K S S- 0 0 197 3,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 112.6 -4.6 -74.3 -28.3 0.3 7.2 -26.5 44 39 X F S S+ 0 0 53 23,-0.0 23,-0.0 17,-0.0 22,-0.0 0.639 131.8 38.3-127.4 -64.7 1.6 6.8 -23.0 45 40 X N - 0 0 42 17,-0.1 16,-0.1 -4,-0.1 -4,-0.0 0.984 69.4-168.2 -68.0 -82.2 -0.8 6.2 -20.1 46 41 X K - 0 0 48 14,-0.1 15,-2.5 -8,-0.0 2,-0.4 0.334 17.3-122.0 94.0 133.9 -3.8 3.8 -21.0 47 42 X I E -DE 40 60A 38 -7,-2.1 -8,-1.6 13,-0.2 -7,-1.1 -0.903 20.7-153.5-111.2 138.4 -7.0 3.1 -19.1 48 43 X I E -DE 38 59A 11 11,-3.5 11,-2.7 -2,-0.4 2,-0.6 -0.918 10.4-137.4-116.0 133.9 -8.0 -0.4 -18.1 49 44 X L E +DE 37 58A 4 -12,-3.0 -13,-3.0 -2,-0.4 -12,-0.9 -0.804 38.2 165.0 -87.6 123.9 -11.6 -1.8 -17.5 50 45 X C E -DE 35 57A 0 7,-2.8 7,-2.3 -2,-0.6 2,-0.3 -0.814 28.4-141.6-132.8 171.4 -11.7 -3.9 -14.4 51 46 X E E +DE 34 56A 60 -17,-1.2 -17,-3.1 -2,-0.3 2,-0.3 -0.998 15.3 174.2-136.5 138.7 -14.1 -5.5 -11.9 52 47 X K E > S- E 0 55A 54 3,-1.2 3,-1.8 -2,-0.3 2,-0.8 -0.978 72.8 -24.3-143.1 133.4 -13.8 -6.0 -8.1 53 48 X D T 3 S- 0 0 122 -2,-0.3 -2,-0.0 1,-0.3 -21,-0.0 -0.572 124.4 -45.8 62.5-104.8 -16.7 -7.4 -6.0 54 49 X N T 3 S+ 0 0 147 -2,-0.8 -1,-0.3 2,-0.0 2,-0.1 0.289 115.6 101.4-132.3 5.5 -19.6 -6.4 -8.4 55 50 X K E < -E 52 0A 133 -3,-1.8 -3,-1.2 1,-0.0 2,-0.4 -0.365 66.5-123.7 -88.5 165.4 -18.5 -2.9 -9.1 56 51 X F E -E 51 0A 86 -5,-0.2 68,-1.5 68,-0.1 2,-0.3 -0.922 27.3-175.7-118.0 141.1 -16.8 -1.5 -12.3 57 52 X Y E -EF 50 123A 10 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.5 -0.949 23.4-148.8-137.4 150.2 -13.6 0.4 -12.4 58 53 X A E -EF 49 122A 14 64,-2.0 64,-0.7 -2,-0.3 2,-0.5 -0.960 20.7-164.7-119.6 109.6 -11.3 2.2 -14.9 59 54 X L E -EF 48 121A 0 -11,-2.7 -11,-3.5 -2,-0.5 2,-0.7 -0.833 8.6-148.3 -96.6 127.9 -7.7 2.0 -13.8 60 55 X K E -EF 47 120A 12 60,-2.1 60,-2.0 -2,-0.5 2,-0.5 -0.873 13.2-155.5 -98.9 116.9 -5.3 4.4 -15.5 61 56 X K E + F 0 119A 31 -15,-2.5 2,-0.3 -2,-0.7 58,-0.2 -0.817 16.5 173.2 -95.1 122.6 -1.8 2.9 -15.9 62 57 X Y E - F 0 118A 4 56,-2.3 56,-2.3 -2,-0.5 2,-0.3 -0.796 15.4-151.3-111.3 163.3 1.3 5.1 -16.2 63 58 X E E >> - F 0 117A 41 -2,-0.3 4,-2.3 54,-0.2 3,-0.7 -0.909 12.2-155.8-142.0 124.0 4.9 4.0 -16.2 64 59 X K H 3> S+ 0 0 60 52,-2.4 4,-2.4 -2,-0.3 5,-0.3 0.936 97.3 51.4 -45.1 -63.6 8.0 5.9 -15.0 65 60 X S H 34 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.712 113.6 48.7 -55.5 -22.6 10.5 4.0 -17.1 66 61 X L H <4 S+ 0 0 67 -3,-0.7 3,-0.3 50,-0.1 -1,-0.2 0.908 117.8 34.1 -86.5 -47.6 8.3 4.7 -20.1 67 62 X L H < S+ 0 0 8 -4,-2.3 19,-1.0 1,-0.2 20,-0.9 0.571 100.7 75.5 -89.3 -6.4 7.7 8.4 -19.8 68 63 X E S < S+ 0 0 70 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.756 95.2 58.0 -76.9 -24.5 11.1 9.4 -18.3 69 64 X K S S+ 0 0 121 -3,-0.3 17,-0.1 -4,-0.3 16,-0.0 -0.800 82.5 75.5 -90.7 152.1 12.4 9.0 -21.8 70 65 X K + 0 0 102 -2,-0.3 16,-1.5 1,-0.1 2,-0.3 0.728 67.7 179.0 91.9 71.4 10.4 11.4 -24.0 71 66 X R E -H 85 0B 161 14,-0.2 14,-0.3 15,-0.1 2,-0.2 -0.800 3.1-176.9-105.2 149.0 12.1 14.7 -23.0 72 67 X D E -H 84 0B 62 12,-2.6 12,-1.0 -2,-0.3 2,-0.6 -0.547 31.1 -88.8-130.1-167.1 11.1 18.0 -24.4 73 68 X F E +H 83 0B 180 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.914 39.8 174.0-118.1 102.8 12.0 21.7 -24.3 74 69 X T - 0 0 62 8,-0.6 8,-0.2 -2,-0.6 7,-0.0 0.124 46.0 -71.8 -75.3-156.4 10.3 23.9 -21.7 75 70 X K - 0 0 116 6,-0.1 -1,-0.1 1,-0.1 7,-0.0 0.669 40.4-134.8 -73.6-125.2 11.3 27.6 -21.2 76 71 X S - 0 0 34 -3,-0.1 2,-2.5 4,-0.0 4,-0.2 0.297 12.7-168.3-162.6 -56.9 14.5 28.7 -19.5 77 72 X N S S+ 0 0 150 1,-0.2 5,-0.1 2,-0.1 4,-0.0 -0.425 99.3 41.7 67.7 -58.0 14.4 31.4 -16.9 78 73 X N S S- 0 0 139 -2,-2.5 -1,-0.2 3,-0.3 4,-0.1 0.387 106.2-125.1 -94.2 -1.1 18.2 31.5 -17.2 79 74 X D S S+ 0 0 145 1,-0.2 2,-0.8 2,-0.1 3,-0.1 0.426 86.1 114.6 62.5 -2.1 18.4 31.2 -21.0 80 75 X K S S- 0 0 155 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.0 -0.309 88.5-108.8 -85.6 48.1 20.6 28.2 -20.2 81 76 X I - 0 0 98 -2,-0.8 -1,-0.3 1,-0.1 -3,-0.3 0.211 29.6-116.7 46.9-177.1 17.8 26.1 -21.7 82 77 X S - 0 0 33 -8,-0.2 -8,-0.6 -3,-0.1 2,-0.5 -0.932 16.7-157.3-152.6 139.6 15.5 23.8 -19.8 83 78 X I E +H 73 0B 126 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.949 18.5 169.9-124.5 109.1 15.1 20.0 -20.0 84 79 X K E -H 72 0B 48 -12,-1.0 -12,-2.6 -2,-0.5 2,-0.3 -0.848 17.7-148.3-118.3 158.3 11.9 18.4 -18.8 85 80 X S E > -H 71 0B 11 -2,-0.3 4,-1.4 -14,-0.3 -14,-0.2 -0.766 29.0-116.2-117.8 162.4 10.5 14.8 -19.1 86 81 X K H > S+ 0 0 68 -16,-1.5 4,-1.1 -19,-1.0 -18,-0.2 0.661 118.8 59.9 -72.8 -16.2 7.0 13.5 -19.5 87 82 X Y H > S+ 0 0 18 -20,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.823 100.8 54.2 -74.7 -34.3 7.6 11.8 -16.1 88 83 X D H > S+ 0 0 60 -21,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.897 107.3 50.5 -61.3 -43.8 8.1 15.3 -14.6 89 84 X D H X S+ 0 0 25 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.853 108.2 53.5 -60.2 -38.0 4.8 16.4 -16.0 90 85 X F H X S+ 0 0 3 -4,-1.1 4,-3.6 2,-0.2 -1,-0.2 0.841 99.8 59.9 -70.5 -36.5 3.2 13.3 -14.4 91 86 X K H X S+ 0 0 31 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.971 107.0 47.4 -53.4 -53.9 4.6 14.1 -11.0 92 87 X N H X S+ 0 0 53 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.879 113.5 48.6 -54.5 -37.7 2.7 17.4 -11.1 93 88 X E H X S+ 0 0 13 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.924 107.9 55.0 -69.0 -42.1 -0.4 15.4 -12.3 94 89 X L H X S+ 0 0 1 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.938 105.0 51.4 -55.4 -53.5 0.1 12.9 -9.4 95 90 X Q H < S+ 0 0 65 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.851 112.8 48.4 -49.6 -38.8 0.0 15.6 -6.7 96 91 X I H >X S+ 0 0 1 -4,-1.2 3,-2.9 -5,-0.2 4,-2.0 0.969 106.4 52.5 -72.6 -52.4 -3.2 16.9 -8.2 97 92 X I H 3< S+ 0 0 7 -4,-2.9 11,-0.5 1,-0.3 -1,-0.2 0.789 108.8 55.8 -46.9 -29.9 -4.9 13.5 -8.5 98 93 X T T 3< S+ 0 0 34 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.592 111.2 42.3 -80.4 -14.2 -4.0 13.3 -4.8 99 94 X D T <4 S+ 0 0 50 -3,-2.9 2,-0.5 -4,-0.3 -2,-0.2 0.734 88.6 97.3-108.7 -30.5 -5.8 16.5 -4.0 100 95 X I < + 0 0 4 -4,-2.0 2,-0.3 6,-0.1 8,-0.2 -0.516 35.3 156.1 -76.0 118.7 -9.1 16.3 -6.0 101 96 X K + 0 0 126 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.883 23.1 123.6-140.0 106.6 -12.1 15.2 -4.1 102 97 X N > - 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