==== 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 2PMN . COMPND 2 MOLECULE: SER/THR PROTEIN KINASE, PUTATIVE; . 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) . 18664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 67.6 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 . 58 17.1 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 . 6 1.8 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 . 2 0.6 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 . 31 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 1 0 1 0 1 0 0 1 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 3 3 2 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 0 113 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-135.2 8.7 -16.2 -8.0 2 -3 X P - 0 0 143 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.407 360.0-144.3 -62.1 134.5 11.0 -19.4 -8.2 3 -2 X L - 0 0 73 1,-0.2 3,-0.1 -2,-0.1 89,-0.1 -0.832 6.7-127.3-110.2 146.5 9.2 -22.6 -6.9 4 -1 X G - 0 0 34 -2,-0.3 -1,-0.2 1,-0.2 2,-0.0 0.424 47.6 -52.3 -68.4-157.5 10.6 -25.6 -5.0 5 0 X S > - 0 0 55 1,-0.1 4,-1.8 4,-0.0 3,-0.2 -0.294 56.2-102.0 -74.2 167.5 10.4 -29.3 -5.7 6 1 X M H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 124.1 58.4 -55.3 -36.1 7.1 -31.1 -6.4 7 2 X K H > S+ 0 0 125 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 103.0 50.3 -63.7 -43.8 7.3 -32.3 -2.8 8 3 X D H 4 S+ 0 0 95 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.905 112.5 48.8 -58.4 -43.8 7.4 -28.8 -1.4 9 4 X I H >< S+ 0 0 22 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.935 117.4 38.2 -65.3 -47.6 4.4 -27.9 -3.5 10 5 X L H >< S+ 0 0 2 -4,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.551 89.7 100.0 -79.7 -6.0 2.4 -31.0 -2.4 11 6 X S T 3< S+ 0 0 80 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.612 87.5 41.3 -57.8 -16.8 3.7 -30.7 1.1 12 7 X N T < S+ 0 0 151 -3,-0.7 2,-0.5 -4,-0.2 -1,-0.3 0.344 86.7 108.6-114.0 6.3 0.5 -29.0 2.2 13 8 X Y X - 0 0 40 -3,-2.2 3,-0.6 1,-0.1 86,-0.1 -0.719 54.7-158.3 -81.8 126.8 -2.0 -31.2 0.3 14 9 X S T 3 S+ 0 0 127 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.0 0.377 83.9 50.4 -92.9 4.7 -3.8 -33.4 2.8 15 10 X N T 3 + 0 0 72 2,-0.1 96,-1.5 97,-0.0 2,-0.3 -0.154 68.6 146.7-133.9 39.7 -4.9 -36.1 0.3 16 11 X L E < -a 111 0A 48 -3,-0.6 2,-0.4 94,-0.2 96,-0.2 -0.642 32.9-155.8 -75.8 133.0 -1.6 -37.0 -1.4 17 12 X I E -a 112 0A 47 94,-3.7 96,-3.0 -2,-0.3 2,-0.4 -0.927 15.3-119.6-116.5 136.6 -1.6 -40.7 -2.3 18 13 X Y E -a 113 0A 210 -2,-0.4 96,-0.2 94,-0.2 94,-0.1 -0.597 41.2-104.3 -67.8 127.8 1.4 -43.0 -2.9 19 14 X L + 0 0 39 94,-1.3 2,-0.3 -2,-0.4 -1,-0.1 -0.252 41.5 174.7 -51.2 130.4 1.4 -44.5 -6.4 20 15 X N + 0 0 86 2,-0.1 11,-2.6 -3,-0.0 2,-0.5 -0.822 2.6 179.6-142.1 100.6 0.4 -48.1 -6.7 21 16 X K E +B 30 0A 103 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.875 15.4 155.4 -98.4 136.8 0.2 -49.5 -10.2 22 17 X Y E -B 29 0A 46 7,-1.5 7,-2.9 -2,-0.5 2,-0.5 -0.967 36.0-127.8-152.5 166.0 -0.9 -53.1 -10.5 23 18 X V E -B 28 0A 95 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.982 16.8-175.7-123.7 125.8 -2.5 -55.6 -12.9 24 19 X K E > -B 27 0A 119 3,-1.5 3,-0.6 -2,-0.5 2,-0.4 -0.922 62.6 -54.8-123.7 102.0 -5.4 -57.8 -11.9 25 20 X E T 3 S- 0 0 146 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.545 121.3 -10.4 71.9-120.1 -6.4 -60.2 -14.7 26 21 X K T 3 S+ 0 0 173 -2,-0.4 2,-0.3 -3,-0.0 -1,-0.2 0.032 121.6 84.9 -99.6 23.8 -7.1 -58.4 -18.1 27 22 X D E < -B 24 0A 50 -3,-0.6 -3,-1.5 2,-0.0 2,-0.4 -0.951 64.7-141.9-134.9 144.8 -7.1 -54.9 -16.5 28 23 X K E -B 23 0A 140 7,-0.4 7,-3.4 -2,-0.3 2,-0.3 -0.912 26.0-162.7-105.9 132.3 -4.5 -52.2 -15.5 29 24 X Y E -BC 22 34A 43 -7,-2.9 -7,-1.5 -2,-0.4 2,-0.4 -0.869 23.6-161.2-119.8 149.6 -5.1 -50.3 -12.2 30 25 X I E > S-BC 21 33A 0 3,-3.1 3,-1.4 -2,-0.3 -9,-0.2 -0.861 86.0 -38.2-120.2 93.4 -3.9 -47.1 -10.6 31 26 X N T 3 S- 0 0 22 -11,-2.6 3,-0.1 -2,-0.4 -10,-0.1 0.922 124.1 -39.6 58.1 51.4 -4.7 -47.5 -6.8 32 27 X D T 3 S+ 0 0 100 1,-0.2 2,-0.8 -12,-0.2 -1,-0.3 0.313 115.5 119.1 76.0 -9.0 -8.0 -49.3 -7.2 33 28 X Y E < -C 30 0A 19 -3,-1.4 -3,-3.1 19,-0.1 2,-0.4 -0.822 60.5-143.8 -86.2 110.0 -8.8 -47.0 -10.2 34 29 X R E -CD 29 51A 56 17,-3.0 17,-1.9 -2,-0.8 2,-0.6 -0.618 12.9-122.8 -80.0 128.7 -9.2 -49.3 -13.2 35 30 X I E + D 0 50A 55 -7,-3.4 -7,-0.4 -2,-0.4 15,-0.2 -0.570 38.0 165.0 -74.8 112.6 -7.9 -48.0 -16.5 36 31 X I E - 0 0 55 13,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.907 62.6 -42.9 -86.9 -65.7 -10.7 -48.0 -19.1 37 32 X R E - D 0 49A 141 12,-1.2 12,-4.0 3,-0.0 2,-0.6 -0.974 50.8 -99.4-155.5 167.1 -9.1 -45.7 -21.7 38 33 X T E - D 0 48A 69 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.867 30.5-155.1 -90.0 123.8 -7.1 -42.6 -22.3 39 34 X L E S- 0 0 66 8,-3.1 2,-0.3 -2,-0.6 -1,-0.1 0.855 71.8 -2.3 -75.7 -39.5 -9.7 -39.9 -23.4 40 35 X N E - D 0 47A 70 7,-0.7 7,-1.2 -3,-0.1 2,-0.9 -0.976 57.0-139.1-146.5 143.9 -7.2 -37.7 -25.3 41 36 X Q - 0 0 110 -2,-0.3 2,-0.6 5,-0.2 4,-0.1 -0.836 17.8-179.2 -95.1 94.1 -3.5 -37.8 -26.1 42 37 X G - 0 0 37 -2,-0.9 2,-3.9 2,-0.3 3,-0.3 -0.086 52.0-115.3 -74.9 37.8 -2.6 -34.1 -25.7 43 38 X K S S+ 0 0 180 -2,-0.6 -1,-0.2 1,-0.2 -3,-0.0 -0.306 105.0 18.5 51.3 -63.6 0.9 -35.5 -26.7 44 39 X F S S+ 0 0 72 -2,-3.9 -2,-0.3 -3,-0.1 -1,-0.2 0.682 121.1 50.4 -84.3-107.3 1.8 -34.4 -23.2 45 40 X N S S- 0 0 66 -3,-0.3 16,-0.1 -4,-0.1 -4,-0.1 0.367 74.8-177.7 4.1 -99.9 -1.1 -33.8 -20.7 46 41 X K - 0 0 38 14,-0.1 15,-2.6 1,-0.1 2,-0.5 0.687 17.7-147.0 86.3 116.0 -3.1 -37.0 -21.1 47 42 X I E -DE 40 60A 51 -7,-1.2 -8,-3.1 13,-0.2 -7,-0.7 -0.962 9.9-155.9-116.1 121.7 -6.4 -37.8 -19.4 48 43 X I E -DE 38 59A 12 11,-3.3 11,-2.9 -2,-0.5 2,-0.5 -0.838 8.9-141.6-102.1 127.8 -7.2 -41.4 -18.4 49 44 X L E +DE 37 58A 6 -12,-4.0 -13,-2.8 -2,-0.5 -12,-1.2 -0.773 31.7 176.5 -88.6 125.9 -10.8 -42.5 -17.9 50 45 X C E -DE 35 57A 0 7,-2.1 7,-3.2 -2,-0.5 2,-0.3 -0.872 25.4-138.4-131.3 160.8 -11.1 -44.9 -14.9 51 46 X E E +DE 34 56A 59 -17,-1.9 -17,-3.0 -2,-0.3 2,-0.2 -0.907 24.3 161.1-115.2 146.7 -13.6 -46.9 -12.9 52 47 X K E > S- E 0 55A 47 3,-1.7 3,-1.3 -2,-0.3 -19,-0.1 -0.797 73.3 -10.1-164.6 121.8 -13.7 -47.3 -9.2 53 48 X D T 3 S- 0 0 120 1,-0.3 3,-0.1 -2,-0.2 -20,-0.0 0.891 126.7 -55.0 51.5 50.7 -16.8 -48.4 -7.1 54 49 X N T 3 S+ 0 0 153 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.666 116.0 114.7 58.3 18.4 -19.2 -48.0 -10.1 55 50 X K E < -E 52 0A 126 -3,-1.3 -3,-1.7 68,-0.0 2,-0.4 -0.957 63.5-132.1-116.3 141.0 -18.1 -44.4 -10.6 56 51 X F E -E 51 0A 89 -2,-0.4 68,-1.4 -5,-0.2 2,-0.3 -0.757 28.4-174.0 -89.2 134.0 -16.2 -43.0 -13.6 57 52 X Y E -EF 50 123A 15 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.4 -0.802 20.9-140.5-121.2 163.7 -13.2 -40.8 -12.9 58 53 X A E -EF 49 122A 11 64,-3.2 64,-1.7 -2,-0.3 2,-0.5 -0.962 19.1-173.2-128.6 115.6 -10.8 -38.7 -14.9 59 54 X L E -EF 48 121A 0 -11,-2.9 -11,-3.3 -2,-0.4 2,-0.5 -0.933 14.3-145.9-112.9 120.8 -7.1 -38.9 -13.9 60 55 X K E -EF 47 120A 14 60,-1.8 60,-1.9 -2,-0.5 -13,-0.2 -0.756 15.3-143.7 -90.2 123.3 -4.7 -36.6 -15.6 61 56 X K E + F 0 119A 33 -15,-2.6 2,-0.3 -2,-0.5 58,-0.2 -0.504 20.2 179.0 -81.3 153.2 -1.2 -38.1 -16.1 62 57 X Y E - 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