==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-DEC-09 2X0S . COMPND 2 MOLECULE: PYRUVATE PHOSPHATE DIKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR L.W.COSENZA,F.BRINGAUD,T.BALTZ,F.M.D.VELLIEUX . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 53 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 314 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 9 1 1 5 2 2 2 1 1 1 2 1 1 1 4 1 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 3 4 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 PARALLEL BRIDGES PER LADDER . 3 3 2 2 1 3 0 1 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 . 1 1 0 2 0 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 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 1 A V 0 0 198 0, 0.0 3,-0.1 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0-163.1 -22.1 49.5 58.2 2 2 A A + 0 0 103 1,-0.6 2,-0.0 0, 0.0 0, 0.0 -0.168 360.0 76.6 175.5 -63.0 -19.8 46.6 57.6 3 3 A K - 0 0 88 1,-0.0 -1,-0.6 2,-0.0 2,-0.4 -0.275 56.4-152.9 -73.7 155.9 -19.7 45.4 54.0 4 4 A K + 0 0 77 -3,-0.1 61,-0.1 1,-0.1 44,-0.1 -0.886 20.6 167.3-133.4 107.4 -17.8 47.1 51.2 5 5 A W + 0 0 23 -2,-0.4 43,-1.5 59,-0.3 2,-0.4 0.498 61.1 52.4 -95.7 -9.8 -19.2 46.6 47.8 6 6 A V E -A 47 0A 0 41,-0.2 2,-0.6 45,-0.0 41,-0.2 -0.994 61.0-155.7-141.8 134.9 -17.4 49.2 45.8 7 7 A Y E -A 46 0A 42 39,-3.4 39,-1.9 -2,-0.4 25,-0.0 -0.856 12.5-148.4-122.3 101.6 -13.7 50.1 45.4 8 8 A Y E -A 45 0A 6 -2,-0.6 8,-0.6 37,-0.3 7,-0.3 -0.209 17.1-177.2 -62.3 152.9 -12.6 53.6 44.4 9 9 A F E +A 44 0A 4 35,-2.0 35,-1.3 5,-0.2 23,-0.1 -0.977 47.0 57.2-151.8 143.2 -9.4 54.1 42.4 10 10 A G + 0 0 14 -2,-0.3 2,-0.7 33,-0.2 31,-0.1 -0.160 62.7 102.2 135.2 -46.1 -7.6 57.3 41.1 11 11 A G S S- 0 0 48 1,-0.2 -3,-0.0 25,-0.0 65,-0.0 0.330 105.2 -99.3 -59.3 15.8 -6.7 59.5 44.0 12 12 A G S S+ 0 0 46 -2,-0.7 -1,-0.2 27,-0.1 27,-0.0 0.330 120.5 65.7 77.2 -8.3 -3.1 58.2 43.7 13 13 A N S S- 0 0 114 24,-0.0 23,-0.1 25,-0.0 -1,-0.1 0.813 74.6-171.1-110.7 -61.6 -4.3 55.9 46.6 14 14 A A - 0 0 3 21,-0.1 -5,-0.2 22,-0.0 22,-0.1 0.953 29.7-123.0 67.5 97.1 -7.1 53.5 45.6 15 15 A D S S+ 0 0 52 -7,-0.3 -6,-0.1 -9,-0.0 -8,-0.1 0.827 92.9 48.2 -22.3 -76.2 -9.0 51.4 48.1 16 16 A G S S- 0 0 3 -8,-0.6 2,-0.3 1,-0.1 13,-0.0 0.051 73.7-148.7 -69.7 179.4 -8.1 48.0 46.5 17 17 A N > - 0 0 55 19,-0.0 3,-1.4 17,-0.0 15,-0.2 -0.876 35.8 -82.0-148.1 179.1 -4.7 46.7 45.3 18 18 A K T 3 S+ 0 0 95 1,-0.3 3,-0.1 -2,-0.3 11,-0.1 0.440 114.8 64.8 -70.2 -1.8 -3.1 44.4 42.8 19 19 A N T 3 S+ 0 0 115 1,-0.2 2,-1.8 10,-0.1 3,-0.4 0.706 77.9 80.0 -94.5 -26.8 -3.9 41.2 44.7 20 20 A M <> + 0 0 41 -3,-1.4 4,-2.5 1,-0.2 3,-0.4 -0.378 40.1 138.1 -88.2 63.5 -7.7 41.1 44.7 21 21 A K H > S+ 0 0 144 -2,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.657 71.0 65.8 -74.1 -13.5 -8.2 39.7 41.3 22 22 A E H 4 S+ 0 0 149 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.1 0.820 116.4 21.4 -74.5 -35.6 -10.9 37.6 43.1 23 23 A L H 4 S+ 0 0 37 -3,-0.4 26,-2.2 2,-0.1 -2,-0.2 0.796 133.3 35.8 -97.5 -41.9 -13.1 40.6 43.9 24 24 A L H X S- 0 0 2 -4,-2.5 4,-1.2 24,-0.2 -3,-0.2 0.399 99.7-129.3-101.3 2.0 -12.0 43.2 41.4 25 25 A G H X - 0 0 7 -4,-0.6 4,-2.8 -5,-0.2 5,-0.2 0.070 40.6 -72.6 61.9 170.4 -11.4 41.1 38.4 26 26 A G H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 134.6 51.7 -70.5 -38.2 -8.1 41.5 36.6 27 27 A K H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 114.9 44.2 -60.8 -44.3 -9.0 44.8 35.0 28 28 A G H X S+ 0 0 1 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.879 113.9 46.8 -72.0 -44.2 -9.9 46.1 38.4 29 29 A A H X S+ 0 0 3 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.972 114.4 50.9 -57.0 -53.7 -7.0 44.8 40.3 30 30 A N H X S+ 0 0 52 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.922 108.4 49.6 -49.7 -56.8 -4.7 46.1 37.5 31 31 A L H X S+ 0 0 25 -4,-2.7 4,-1.8 2,-0.2 5,-0.2 0.952 112.8 48.2 -45.3 -56.4 -6.2 49.6 37.6 32 32 A A H >X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.3 3,-0.7 0.961 110.0 51.2 -49.8 -58.8 -5.8 49.7 41.4 33 33 A E H 3X S+ 0 0 35 -4,-3.2 4,-1.2 1,-0.2 -1,-0.3 0.890 108.9 55.3 -42.4 -45.2 -2.2 48.5 41.0 34 34 A M H 3<>S+ 0 0 9 -4,-2.7 5,-1.7 -5,-0.2 4,-0.4 0.840 109.0 41.7 -63.2 -42.7 -1.6 51.2 38.5 35 35 A V H X<5S+ 0 0 4 -4,-1.8 3,-0.7 -3,-0.7 -1,-0.2 0.830 111.0 54.5 -80.6 -34.3 -2.7 54.2 40.5 36 36 A N H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 104.0 60.5 -62.9 -28.3 -1.0 53.0 43.7 37 37 A L T 3<5S- 0 0 35 -4,-1.2 -1,-0.3 -5,-0.4 -2,-0.2 0.768 121.5-115.9 -71.2 -27.4 1.9 52.9 41.3 38 38 A G T < 5 + 0 0 32 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.532 66.2 138.5 106.0 9.9 1.4 56.7 40.8 39 39 A I < - 0 0 3 -5,-1.7 2,-1.5 1,-0.1 -1,-0.4 -0.742 61.7-109.0 -94.7 141.1 0.5 56.8 37.1 40 40 A P + 0 0 36 0, 0.0 317,-2.0 0, 0.0 -1,-0.1 -0.487 47.7 168.4 -72.1 77.4 -2.4 59.2 36.1 41 41 A V - 0 0 9 -2,-1.5 -29,-0.1 315,-0.2 317,-0.1 -0.773 46.1-100.8 -95.9 134.0 -5.3 57.0 35.2 42 42 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 202,-0.1 -0.295 51.8-112.1 -53.4 132.7 -8.7 58.5 34.8 43 43 A P + 0 0 0 0, 0.0 199,-2.2 0, 0.0 2,-0.3 0.224 55.1 124.5 -62.0-177.8 -10.6 57.9 38.0 44 44 A G E -AB 9 241A 0 -35,-1.3 -35,-2.0 197,-0.3 2,-0.3 -0.942 46.0-101.2 150.5-169.9 -13.7 55.6 38.7 45 45 A F E -AB 8 240A 0 195,-1.7 195,-2.0 -2,-0.3 2,-0.4 -0.959 18.5-124.0-145.6 161.6 -14.6 52.8 40.9 46 46 A T E -AB 7 239A 3 -39,-1.9 -39,-3.4 -2,-0.3 2,-0.7 -0.908 10.1-147.6-114.0 142.0 -14.9 49.0 40.9 47 47 A I E -AB 6 238A 1 191,-2.0 191,-1.1 -2,-0.4 -41,-0.2 -0.908 32.0-119.6-111.0 112.8 -17.9 46.9 41.8 48 48 A T >> - 0 0 0 -43,-1.5 4,-1.2 -2,-0.7 3,-1.0 0.005 14.3-116.2 -59.3 149.7 -16.9 43.6 43.4 49 49 A T H 3> S+ 0 0 6 -26,-2.2 4,-2.6 1,-0.3 187,-0.2 0.750 114.7 65.8 -49.0 -32.3 -17.8 40.2 42.0 50 50 A E H 3> S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.929 97.9 53.7 -59.5 -45.9 -19.8 39.5 45.2 51 51 A A H <> S+ 0 0 5 -3,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.908 107.7 51.6 -50.1 -47.4 -22.1 42.3 44.0 52 52 A C H >X S+ 0 0 0 -4,-1.2 4,-1.5 1,-0.2 3,-1.2 0.941 109.4 47.8 -57.3 -52.1 -22.4 40.4 40.7 53 53 A K H 3X S+ 0 0 92 -4,-2.6 4,-2.1 1,-0.3 3,-0.3 0.912 104.6 59.5 -56.4 -47.0 -23.3 37.1 42.4 54 54 A T H 3< S+ 0 0 38 -4,-2.8 6,-0.5 1,-0.2 -1,-0.3 0.746 107.2 50.7 -55.2 -21.9 -25.9 38.8 44.6 55 55 A Y H X< S+ 0 0 27 -3,-1.2 3,-0.6 -4,-0.7 -1,-0.2 0.845 104.4 53.1 -87.2 -37.9 -27.6 39.8 41.3 56 56 A Q H 3< S+ 0 0 69 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.1 0.966 111.4 45.9 -61.1 -47.2 -27.7 36.4 39.7 57 57 A E T 3< S+ 0 0 140 -4,-2.1 2,-0.2 1,-0.2 -1,-0.2 0.453 132.5 13.5 -84.5 3.4 -29.4 34.7 42.6 58 58 A T S < S- 0 0 60 -3,-0.6 2,-1.3 -5,-0.2 -1,-0.2 -0.793 78.9-123.7-168.0 135.3 -31.9 37.6 42.9 59 59 A E S S+ 0 0 162 -2,-0.2 2,-0.2 -3,-0.1 -4,-0.1 0.109 77.5 106.9 -75.2 32.4 -32.5 40.3 40.4 60 60 A T - 0 0 67 -2,-1.3 -2,-0.1 -6,-0.5 -3,-0.1 -0.671 61.9-144.3-112.4 156.8 -31.8 43.0 42.9 61 61 A I - 0 0 38 -2,-0.2 5,-0.2 -6,-0.0 -2,-0.1 -0.973 38.8-116.7-116.7 113.6 -29.1 45.4 43.8 62 62 A P >> - 0 0 32 0, 0.0 3,-2.0 0, 0.0 4,-1.8 -0.050 18.8-120.1 -44.4 143.5 -28.9 45.8 47.6 63 63 A Q H 3> S+ 0 0 138 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.854 115.3 56.1 -58.1 -35.5 -29.7 49.3 49.0 64 64 A E H 3> S+ 0 0 91 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.558 103.2 54.7 -76.8 -7.9 -26.2 49.5 50.4 65 65 A V H <> S+ 0 0 5 -3,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.861 110.5 45.8 -89.4 -44.2 -24.7 48.8 47.0 66 66 A A H >X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 3,-0.9 0.994 113.8 47.3 -46.8 -72.2 -26.7 51.7 45.6 67 67 A D H 3X S+ 0 0 76 -4,-2.6 4,-1.8 1,-0.3 -3,-0.2 0.903 113.5 51.5 -38.3 -56.0 -25.8 54.1 48.5 68 68 A Q H 3X S+ 0 0 35 -4,-1.0 4,-1.1 1,-0.2 -1,-0.3 0.815 107.4 49.9 -56.1 -40.5 -22.2 52.9 48.1 69 69 A V H X S+ 0 0 8 -4,-1.1 4,-2.3 -3,-0.5 3,-1.6 0.819 104.5 62.3 -90.7 -32.0 -18.0 57.1 45.0 73 73 A V H 3X S+ 0 0 12 -4,-1.9 4,-3.3 1,-0.3 5,-0.2 0.940 103.0 54.5 -57.4 -43.9 -19.4 59.0 42.1 74 74 A S H 3X S+ 0 0 33 -4,-1.5 4,-1.0 1,-0.2 -1,-0.3 0.601 108.2 50.9 -64.5 -11.3 -19.3 62.0 44.4 75 75 A R H <> S+ 0 0 89 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.802 109.0 47.9 -91.4 -38.7 -15.6 61.2 44.9 76 76 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.4 0.910 111.0 53.2 -64.5 -44.7 -14.9 61.0 41.2 77 77 A E H X S+ 0 0 32 -4,-3.3 4,-3.3 1,-0.2 -2,-0.2 0.966 109.3 48.3 -53.7 -55.0 -16.7 64.3 40.8 78 78 A K H < S+ 0 0 164 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.3 48.1 -52.0 -44.4 -14.5 65.8 43.4 79 79 A E H < S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.0 31.8 -70.1 -42.1 -11.3 64.5 41.8 80 80 A M H < S- 0 0 35 -4,-2.4 -1,-0.2 -3,-0.1 -2,-0.2 0.820 101.5-128.6 -84.7 -36.4 -12.0 65.5 38.2 81 81 A G S < S+ 0 0 50 -4,-3.3 -4,-0.1 -5,-0.4 -3,-0.1 -0.161 70.0 107.5 111.3 -37.5 -13.9 68.6 39.1 82 82 A A - 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D 0 241A 3 147,-2.1 147,-1.3 -2,-0.3 2,-0.5 -0.975 18.0-155.4-115.4 134.6 -17.4 54.5 30.6 95 95 A V E +CD 107 240A 3 12,-3.0 12,-2.9 -2,-0.4 2,-0.3 -0.955 22.1 161.5-121.4 121.9 -18.8 51.3 31.8 96 96 A R E -CD 106 239A 90 143,-1.2 143,-3.0 -2,-0.5 2,-0.2 -0.905 36.9-102.4-136.5 156.2 -16.9 48.1 31.2 97 97 A S E - D 0 238A 19 8,-0.8 2,-0.9 -2,-0.3 141,-0.2 -0.544 28.4-125.5 -89.2 149.6 -16.8 44.5 32.6 98 98 A G E S+ D 0 237A 1 139,-2.4 139,-1.5 -2,-0.2 2,-0.1 -0.772 73.7 70.8-103.4 98.2 -14.2 43.2 35.0 99 99 A A - 0 0 39 -2,-0.9 3,-0.4 -74,-0.2 -2,-0.1 -0.158 54.4-153.2 159.4 100.8 -12.4 40.0 34.0 100 100 A A S S+ 0 0 71 1,-0.2 2,-2.3 2,-0.2 -2,-0.0 0.749 75.8 101.8 -54.9 -23.2 -9.8 39.9 31.1 101 101 A A 0 0 86 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.194 360.0 360.0 -56.7 21.0 -10.8 36.2 30.7 102 102 A S 0 0 90 -2,-2.3 -1,-0.2 -3,-0.4 -2,-0.2 0.119 360.0 360.0-169.5 360.0 -12.9 37.1 27.7 103 ! 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 0.0 104 107 A M 0 0 44 0, 0.0 111,-0.1 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 -32.8 -20.0 41.2 27.7 105 108 A D - 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