==== 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 OXIDOREDUCTASE 01-FEB-08 3C61 . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA DONOVANI; . AUTHOR T.L.ARAKAKI,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PR . 1256 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 865 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 8 0.6 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 . 53 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 0 0 4 0 0 4 8 0 4 0 8 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 8 16 4 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 . 4 4 12 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 4 0 0 0 4 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 0 A T 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 -26.6 -16.4 6.2 2 1 A M - 0 0 79 300,-0.0 2,-0.3 2,-0.0 300,-0.2 -0.837 360.0-162.9-131.1 159.8 -27.9 -12.8 5.8 3 2 A S - 0 0 51 298,-2.5 300,-0.5 -2,-0.3 12,-0.1 -0.984 18.5-167.4-146.9 134.9 -30.2 -10.8 3.6 4 3 A L + 0 0 10 10,-0.4 298,-0.1 -2,-0.3 -1,-0.1 0.219 48.6 138.7 -94.9 10.9 -30.8 -7.0 3.0 5 4 A Q - 0 0 95 10,-0.1 2,-0.4 11,-0.1 298,-0.4 -0.271 32.8-168.8 -63.1 141.9 -34.1 -7.8 1.2 6 5 A V E -A 13 0A 6 7,-2.1 7,-2.7 9,-0.1 2,-0.5 -0.996 5.7-161.7-128.3 134.7 -37.0 -5.5 1.9 7 6 A D E +A 12 0A 95 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.977 32.5 128.6-121.4 118.7 -40.6 -6.2 0.8 8 7 A L E > +A 11 0A 13 3,-1.6 3,-1.6 -2,-0.5 -2,-0.1 -0.974 55.6 26.4-160.7 159.8 -43.0 -3.3 0.8 9 8 A L T 3 S- 0 0 32 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.832 127.7 -62.0 51.2 38.5 -45.5 -1.6 -1.5 10 9 A N T 3 S+ 0 0 172 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.780 117.4 105.3 58.4 32.1 -46.1 -4.9 -3.4 11 10 A N E < -A 8 0A 52 -3,-1.6 -3,-1.6 84,-0.0 2,-0.4 -0.919 65.1-134.3-135.2 159.0 -42.4 -4.9 -4.4 12 11 A T E -A 7 0A 83 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.936 19.2-161.5-113.0 137.2 -39.3 -6.7 -3.5 13 12 A F E -A 6 0A 0 -7,-2.7 -7,-2.1 -2,-0.4 27,-0.1 -0.987 19.1-143.4-121.7 131.9 -36.1 -4.7 -3.0 14 13 A A S S- 0 0 76 -2,-0.4 -10,-0.4 26,-0.3 -1,-0.1 0.859 87.4 -10.5 -58.8 -36.8 -32.6 -6.2 -3.1 15 14 A N S S- 0 0 10 2,-0.2 -1,-0.2 -10,-0.1 -9,-0.1 -0.949 73.8-104.8-157.0 166.8 -31.5 -3.9 -0.3 16 15 A P S S+ 0 0 0 0, 0.0 254,-2.8 0, 0.0 2,-0.2 0.564 79.3 113.0 -79.2 -3.8 -32.9 -0.7 1.4 17 16 A F E +b 270 0B 0 252,-0.2 24,-1.7 21,-0.1 23,-1.4 -0.422 30.0 143.7 -81.3 140.3 -30.7 1.8 -0.3 18 17 A M E -b 271 0B 0 252,-1.8 254,-2.0 22,-0.2 24,-0.2 -0.945 48.5 -87.6-151.6 171.6 -31.7 4.5 -2.8 19 18 A N E -b 272 0B 0 22,-0.3 2,-0.3 -2,-0.3 254,-0.2 -0.471 40.5-113.4 -74.4 154.3 -30.7 8.0 -3.7 20 19 A A > - 0 0 6 252,-2.0 3,-2.2 -2,-0.1 23,-0.1 -0.682 45.4 -96.3 -76.8 143.9 -32.3 11.0 -2.0 21 20 A A T 3 S+ 0 0 13 -2,-0.3 24,-0.2 1,-0.3 23,-0.1 -0.303 114.1 36.4 -61.4 143.9 -34.4 12.9 -4.5 22 21 A G T 3 S+ 0 0 36 21,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.202 98.5 95.8 96.1 -22.8 -32.4 15.8 -5.8 23 22 A V S < S- 0 0 20 -3,-2.2 -1,-0.2 1,-0.2 249,-0.1 -0.935 102.9 -24.6-111.4 122.6 -29.1 13.9 -5.9 24 23 A M S S+ 0 0 46 -2,-0.5 10,-0.2 1,-0.1 -1,-0.2 0.857 113.1 93.0 55.0 45.2 -27.9 12.1 -9.0 25 24 A C + 0 0 0 -3,-0.1 20,-2.4 8,-0.1 -1,-0.1 0.173 48.9 92.4-154.0 27.1 -31.3 11.8 -10.6 26 25 A S S S+ 0 0 30 18,-0.2 50,-0.4 -4,-0.1 2,-0.2 0.825 81.1 46.7 -98.0 -37.6 -32.0 14.7 -12.9 27 26 A T S > S- 0 0 55 1,-0.1 4,-2.4 48,-0.1 5,-0.2 -0.553 85.8-108.8-105.4 166.5 -30.9 13.5 -16.3 28 27 A T H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.931 122.6 52.4 -56.5 -43.7 -31.3 10.4 -18.4 29 28 A E H > S+ 0 0 162 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.3 49.0 -60.6 -43.6 -27.7 9.6 -17.7 30 29 A D H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 112.8 46.7 -59.3 -49.6 -28.2 10.0 -13.9 31 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.883 113.4 47.4 -69.0 -37.9 -31.3 7.8 -13.8 32 31 A V H X S+ 0 0 56 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.922 111.7 51.9 -65.7 -42.0 -29.7 5.0 -15.9 33 32 A A H X S+ 0 0 27 -4,-2.4 4,-1.3 -5,-0.3 -2,-0.2 0.902 110.5 48.2 -61.2 -41.0 -26.6 5.2 -13.7 34 33 A M H < S+ 0 0 0 -4,-2.5 5,-0.3 2,-0.2 -1,-0.2 0.903 112.7 48.1 -65.7 -40.7 -28.8 4.8 -10.6 35 34 A T H < S+ 0 0 9 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.9 49.3 -67.0 -40.4 -30.6 1.9 -12.2 36 35 A E H < S+ 0 0 144 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.741 99.6 92.6 -66.9 -21.8 -27.3 0.2 -13.2 37 36 A S S < S- 0 0 12 -4,-1.3 245,-0.1 -5,-0.2 -3,-0.1 -0.023 93.2-105.7 -68.2 171.9 -26.0 0.7 -9.6 38 37 A A S S+ 0 0 23 243,-0.4 -21,-0.1 -24,-0.0 -1,-0.1 0.419 78.1 125.7 -79.7 0.8 -26.2 -1.7 -6.7 39 38 A S - 0 0 4 -5,-0.3 -21,-0.2 242,-0.1 -25,-0.1 -0.241 65.9-132.3 -58.3 149.1 -29.0 0.4 -5.0 40 39 A G S S- 0 0 2 -23,-1.4 -26,-0.3 -27,-0.1 2,-0.3 0.782 82.4 -18.5 -71.1 -29.2 -32.2 -1.3 -4.1 41 40 A S - 0 0 0 -24,-1.7 -22,-0.3 53,-0.1 2,-0.3 -0.871 60.6-139.7-157.5-171.5 -34.2 1.5 -5.7 42 41 A L E -c 96 0B 0 53,-0.7 55,-2.8 -2,-0.3 2,-0.4 -0.972 4.9-146.2-157.8 157.8 -34.1 5.1 -7.0 43 42 A V E -c 97 0B 0 -2,-0.3 55,-0.2 53,-0.2 -21,-0.2 -0.991 23.6-123.8-129.2 136.8 -36.2 8.2 -7.0 44 43 A S E -c 98 0B 1 53,-2.1 55,-0.9 -2,-0.4 -18,-0.2 -0.447 45.5 -75.4 -79.9 154.0 -36.3 10.8 -9.8 45 44 A K E - 0 0 10 -20,-2.4 -1,-0.1 -24,-0.2 -24,-0.1 -0.196 59.7 -92.5 -45.6 131.2 -35.6 14.5 -9.3 46 45 A S E - 0 0 7 54,-0.1 54,-0.3 -3,-0.1 2,-0.3 -0.266 57.8-148.5 -48.3 121.0 -38.4 16.4 -7.6 47 46 A C E -c 100 0B 0 52,-1.8 54,-2.9 -3,-0.1 -1,-0.1 -0.668 22.6-163.2-109.6 154.7 -40.4 17.7 -10.6 48 47 A T - 0 0 3 2,-0.3 30,-2.3 -2,-0.3 54,-0.1 -0.764 42.9-101.4-119.2 165.6 -42.5 20.7 -11.5 49 48 A P S S+ 0 0 54 0, 0.0 30,-0.6 0, 0.0 2,-0.3 0.916 107.0 40.9 -58.1 -43.4 -44.9 20.9 -14.4 50 49 A A S S- 0 0 65 27,-0.2 27,-0.3 28,-0.1 -2,-0.3 -0.747 100.2 -92.6-102.2 150.4 -42.4 22.9 -16.5 51 50 A L - 0 0 91 25,-0.4 2,-0.4 -2,-0.3 25,-0.2 -0.249 42.1-158.5 -49.2 140.2 -38.6 22.5 -16.9 52 51 A R B -I 75 0C 63 23,-2.6 23,-1.7 21,-0.1 25,-0.1 -0.999 19.8-156.5-128.9 131.7 -36.8 24.8 -14.3 53 52 A E - 0 0 153 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.670 44.7-140.1 -77.1 -18.4 -33.2 25.9 -14.7 54 53 A G - 0 0 25 18,-0.2 18,-0.3 19,-0.2 -1,-0.2 -0.329 35.2 -33.6 90.4-171.3 -33.0 26.4 -10.9 55 54 A N S S- 0 0 20 16,-3.3 4,-0.1 15,-0.2 15,-0.0 -0.300 76.2 -82.2 -81.3 166.6 -31.3 29.1 -8.9 56 55 A P - 0 0 72 0, 0.0 158,-0.2 0, 0.0 -1,-0.1 -0.346 65.7 -70.8 -69.5 153.5 -28.1 30.9 -9.9 57 56 A T S S+ 0 0 96 157,-0.1 2,-0.1 156,-0.1 156,-0.1 -0.549 106.9 52.7 -94.6 155.1 -24.7 29.2 -9.2 58 57 A P + 0 0 64 0, 0.0 156,-2.9 0, 0.0 3,-0.1 0.473 69.4 144.7 -68.4 133.3 -22.8 28.5 -6.9 59 58 A R + 0 0 50 154,-0.2 11,-2.5 1,-0.2 2,-0.3 0.298 56.2 52.0-125.8 5.6 -25.8 26.8 -5.4 60 59 A Y E -J 69 0D 50 9,-0.2 2,-0.4 152,-0.2 9,-0.2 -0.994 57.0-178.2-138.9 139.0 -24.1 23.8 -3.8 61 60 A R E -J 68 0D 104 7,-2.5 7,-1.9 -2,-0.3 2,-0.3 -0.956 18.8-143.7-140.3 123.9 -21.2 23.5 -1.4 62 61 A A E -J 67 0D 42 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.608 28.1-174.1 -77.5 138.2 -19.6 20.4 0.1 63 62 A L E > -J 66 0D 26 3,-3.1 3,-1.5 -2,-0.3 -2,-0.0 -0.903 39.8-104.0-132.5 159.9 -18.4 21.0 3.6 64 63 A P T 3 S+ 0 0 112 0, 0.0 161,-0.1 0, 0.0 -1,-0.1 0.893 124.4 36.0 -51.4 -41.0 -16.4 19.0 6.3 65 64 A L T 3 S- 0 0 35 159,-0.1 161,-1.8 160,-0.1 2,-0.4 0.268 133.1 -72.2-102.6 12.9 -19.7 18.3 8.2 66 65 A G E < -J 63 0D 1 -3,-1.5 -3,-3.1 158,-0.2 2,-0.3 -0.936 66.2 -52.8 148.9-119.0 -21.9 17.9 5.1 67 66 A S E -JK 62 223D 3 156,-1.7 156,-2.2 -2,-0.4 2,-0.4 -0.989 22.0-151.6-158.2 156.3 -23.4 20.2 2.6 68 67 A I E +JK 61 222D 0 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.3 -0.995 26.0 170.4-130.3 137.5 -25.4 23.3 2.0 69 68 A N E -JK 60 221D 33 152,-1.8 152,-2.6 -2,-0.4 -9,-0.2 -0.998 32.2-178.7-144.4 151.9 -27.5 23.9 -1.1 70 69 A S + 0 0 0 -11,-2.5 -15,-0.2 -2,-0.3 -10,-0.1 -0.533 26.9 155.8-137.4 67.6 -30.1 26.2 -2.6 71 70 A M - 0 0 50 -17,-0.1 -16,-3.3 1,-0.1 -11,-0.1 0.877 42.2-140.6 -63.1 -38.8 -30.7 24.4 -6.0 72 71 A G - 0 0 1 -18,-0.3 -18,-0.2 1,-0.1 63,-0.1 0.861 57.7 -64.3 77.8 41.2 -34.2 25.9 -6.5 73 72 A L - 0 0 13 1,-0.2 2,-0.3 -19,-0.1 -19,-0.2 0.866 68.0-173.3 46.8 47.7 -35.9 22.7 -7.9 74 73 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.528 25.0 143.3 -62.5 124.9 -33.8 22.5 -11.2 75 74 A N B -I 52 0C 5 -23,-1.7 -23,-2.6 -2,-0.3 3,-0.1 -0.984 62.8-113.2-162.8 159.7 -35.4 19.7 -13.1 76 75 A N - 0 0 61 -50,-0.4 -25,-0.4 -2,-0.3 4,-0.3 0.444 69.7-102.1 -77.1 -2.9 -36.4 18.6 -16.6 77 76 A G >> - 0 0 3 -27,-0.3 4,-1.5 -31,-0.1 3,-0.7 0.110 34.5 -76.8 92.5 153.9 -40.1 18.9 -16.0 78 77 A F H 3> S+ 0 0 2 -30,-2.3 4,-3.0 1,-0.2 5,-0.2 0.838 124.7 59.6 -52.8 -44.7 -42.8 16.4 -15.2 79 78 A D H 3> S+ 0 0 97 -30,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.893 105.4 51.4 -53.5 -43.5 -43.2 15.2 -18.9 80 79 A F H <> S+ 0 0 52 -3,-0.7 4,-1.7 -4,-0.3 -1,-0.2 0.928 114.5 39.9 -59.5 -50.0 -39.5 14.1 -18.9 81 80 A Y H X S+ 0 0 1 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.876 114.0 54.7 -73.5 -33.2 -39.7 12.1 -15.6 82 81 A L H X S+ 0 0 18 -4,-3.0 4,-2.8 -5,-0.2 -2,-0.2 0.931 108.3 49.6 -62.0 -45.0 -43.2 10.7 -16.6 83 82 A A H X>S+ 0 0 40 -4,-2.4 4,-2.6 -5,-0.2 5,-0.8 0.885 109.4 51.5 -59.6 -40.5 -41.7 9.5 -19.9 84 83 A Y H X>S+ 0 0 6 -4,-1.7 5,-3.2 1,-0.2 4,-1.3 0.955 114.8 42.7 -61.8 -46.9 -38.8 7.8 -18.1 85 84 A A H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 119.9 43.5 -64.6 -39.3 -41.2 6.0 -15.8 86 85 A A H <5S+ 0 0 19 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.855 133.5 5.5 -77.7 -39.5 -43.6 5.1 -18.6 87 86 A E H <5S+ 0 0 160 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.661 127.0 37.0-125.1 -24.5 -41.3 4.0 -21.4 88 87 A Q T <> + 0 0 91 1,-0.2 4,-1.4 2,-0.1 3,-1.0 -0.650 30.7 174.7 -82.4 91.9 -35.9 -1.0 -16.3 91 90 A Y T 34 S+ 0 0 55 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.692 75.1 69.7 -72.6 -18.7 -38.5 -2.3 -13.8 92 91 A G T 34 S+ 0 0 76 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.785 103.7 43.1 -64.5 -26.2 -36.9 -5.8 -14.2 93 92 A R T <4 S- 0 0 132 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.927 129.8 -28.9 -84.6 -51.3 -33.9 -4.5 -12.4 94 93 A K < - 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0 0 36 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.796 28.4-176.3 -91.4 132.7 -28.6 -10.2 12.8 301 300 A Q + 0 0 94 -2,-0.4 -298,-2.5 1,-0.2 2,-0.3 0.690 68.9 20.6 -97.5 -25.1 -29.6 -12.1 9.6 302 301 A T S > S- 0 0 50 -300,-0.2 3,-0.6 1,-0.1 4,-0.4 -0.941 72.1-117.8-141.6 163.4 -32.3 -9.8 8.4 303 302 A L G >> S+ 0 0 2 -300,-0.5 4,-2.1 -298,-0.4 3,-1.5 0.845 109.6 67.1 -71.8 -34.2 -33.4 -6.1 8.7 304 303 A D G 34 S+ 0 0 120 1,-0.3 -1,-0.2 2,-0.2 -298,-0.0 0.796 89.9 67.5 -55.1 -29.3 -36.8 -7.2 10.2 305 304 A E G <4 S+ 0 0 74 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.791 119.3 14.4 -65.0 -31.0 -34.9 -8.5 13.2 306 305 A F T X4 S+ 0 0 0 -3,-1.5 3,-2.4 -4,-0.4 -2,-0.2 0.488 85.3 128.9-126.0 -3.4 -33.8 -5.0 14.4 307 306 A R T 3< S+ 0 0 32 -4,-2.1 -43,-0.3 1,-0.3 -44,-0.1 -0.338 90.4 1.0 -58.5 128.9 -36.0 -2.4 12.5 308 307 A G T 3 S+ 0 0 17 -45,-2.6 -1,-0.3 -46,-0.2 -44,-0.2 0.484 98.8 119.4 74.3 5.4 -37.5 -0.0 15.0 309 308 A K < + 0 0 117 -3,-2.4 -44,-0.2 -46,-0.2 -2,-0.1 0.172 28.1 148.3 -98.6 19.8 -35.8 -1.8 17.9 310 309 A V - 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