==== 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 30-SEP-09 3K31 . COMPND 2 MOLECULE: ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 522 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21998.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 31 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 2 0 0 0 0 0 2 6 3 1 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 10 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 S 0 0 136 0, 0.0 2,-0.4 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 -31.4 42.3 16.4 43.3 2 1 A M - 0 0 77 1,-0.0 2,-0.3 2,-0.0 32,-0.0 -0.578 360.0-134.5 -74.1 124.7 43.2 13.1 41.5 3 2 A R - 0 0 192 -2,-0.4 32,-0.2 1,-0.1 31,-0.1 -0.623 23.8-179.5 -79.0 134.4 40.9 10.2 42.4 4 3 A T + 0 0 110 30,-2.2 2,-0.3 -2,-0.3 31,-0.2 0.466 55.1 6.9-117.2 -5.6 42.9 7.0 43.1 5 4 A G - 0 0 25 29,-1.8 -1,-0.1 1,-0.0 3,-0.1 -0.926 57.4-121.3-164.2-177.4 40.4 4.3 44.0 6 5 A M > + 0 0 152 -2,-0.3 3,-1.6 1,-0.1 29,-0.1 0.137 65.2 118.0-127.5 20.3 36.7 3.3 44.2 7 6 A L T 3 S+ 0 0 78 1,-0.3 231,-0.5 230,-0.1 29,-0.1 0.806 88.2 35.4 -61.4 -31.5 36.3 2.3 47.9 8 7 A M T > S+ 0 0 0 27,-2.2 3,-2.1 24,-0.2 30,-0.3 0.160 82.3 146.8-108.4 15.2 33.6 5.1 48.5 9 8 A E T < S+ 0 0 120 -3,-1.6 28,-0.2 26,-0.4 3,-0.1 -0.349 73.7 11.6 -55.7 128.6 32.0 5.0 45.0 10 9 A G T 3 S+ 0 0 54 26,-0.7 2,-0.5 1,-0.3 -1,-0.3 0.472 98.2 124.7 83.6 1.9 28.3 5.8 45.4 11 10 A K < - 0 0 36 -3,-2.1 27,-2.7 25,-0.2 2,-0.4 -0.862 41.7-164.1 -97.9 134.9 28.5 7.0 48.9 12 11 A K E +a 38 0A 36 -2,-0.5 78,-3.2 25,-0.2 79,-1.4 -0.910 20.0 151.6-116.4 136.2 27.3 10.4 49.9 13 12 A G E -ab 39 91A 0 25,-2.3 27,-2.0 -2,-0.4 2,-0.4 -0.988 37.3-118.8-160.8 167.7 28.2 12.2 53.1 14 13 A V E -ab 40 92A 1 77,-1.6 79,-2.5 -2,-0.3 2,-0.5 -0.907 15.8-158.5-114.8 135.0 28.8 15.4 54.9 15 14 A I E -ab 41 93A 0 25,-2.4 27,-1.7 -2,-0.4 2,-0.6 -0.984 8.9-162.0-115.1 120.6 32.1 16.5 56.6 16 15 A I E + b 0 94A 3 77,-2.8 79,-2.3 -2,-0.5 27,-0.1 -0.915 67.2 35.9-107.4 115.7 31.7 19.1 59.3 17 16 A G + 0 0 30 -2,-0.6 2,-0.9 25,-0.3 8,-0.3 0.567 62.2 138.7 122.5 10.8 34.9 21.0 60.3 18 17 A V + 0 0 5 -3,-0.4 -1,-0.2 24,-0.3 3,-0.1 -0.776 10.6 145.9 -88.1 105.5 37.1 21.6 57.2 19 18 A A + 0 0 67 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.520 67.9 2.2-114.5 -10.5 38.5 25.2 57.5 20 19 A N S > S- 0 0 72 32,-0.0 3,-0.6 35,-0.0 -1,-0.2 -0.941 77.6 -97.3-161.5 177.6 41.9 24.8 55.9 21 20 A D T 3 S+ 0 0 73 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 0.158 109.2 65.3 -94.8 20.9 44.1 22.2 54.3 22 21 A K T 3 S+ 0 0 108 175,-0.0 -1,-0.2 173,-0.0 2,-0.1 0.456 81.4 98.1-115.7 -6.0 46.1 21.3 57.4 23 22 A S S <> S- 0 0 20 -3,-0.6 4,-2.1 1,-0.1 5,-0.2 -0.386 79.8-115.8 -91.7 161.7 43.4 19.8 59.5 24 23 A L H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 117.1 56.9 -56.2 -41.9 42.3 16.2 60.3 25 24 A A H > S+ 0 0 3 -8,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.892 106.5 50.0 -60.6 -38.6 38.9 17.0 58.7 26 25 A W H > S+ 0 0 23 -9,-0.2 4,-3.0 2,-0.2 5,-0.2 0.915 107.6 53.5 -63.5 -43.0 40.8 17.9 55.5 27 26 A G H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 111.4 46.3 -57.0 -41.3 42.8 14.7 55.6 28 27 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.931 112.4 49.6 -66.8 -45.8 39.5 12.8 55.8 29 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.918 111.1 49.4 -59.6 -47.5 37.9 14.7 53.0 30 29 A K H X S+ 0 0 108 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.936 112.5 48.5 -57.8 -44.3 40.9 14.2 50.8 31 30 A A H X S+ 0 0 19 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.916 115.2 41.5 -65.0 -47.3 40.9 10.5 51.5 32 31 A V H ><>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-0.6 0.890 115.4 50.5 -70.4 -38.0 37.2 9.8 50.9 33 32 A C H ><5S+ 0 0 11 -4,-2.7 3,-1.9 -5,-0.3 -2,-0.2 0.909 106.2 55.5 -65.6 -39.2 37.0 12.1 47.8 34 33 A A H 3<5S+ 0 0 20 -4,-2.3 -30,-2.2 -5,-0.3 -29,-1.8 0.709 107.0 52.3 -66.1 -19.1 40.0 10.3 46.3 35 34 A Q T <<5S- 0 0 33 -4,-0.7 -27,-2.2 -3,-0.6 -26,-0.4 0.190 129.5 -92.4-102.0 15.6 38.1 7.0 46.7 36 35 A G T < 5S+ 0 0 10 -3,-1.9 -26,-0.7 1,-0.2 -3,-0.2 0.497 70.5 152.6 93.5 6.2 35.0 8.3 44.9 37 36 A A < - 0 0 12 -5,-2.3 2,-0.6 -28,-0.2 -1,-0.2 -0.359 44.1-131.4 -65.6 149.8 32.8 9.7 47.6 38 37 A E E -a 12 0A 104 -27,-2.7 -25,-2.3 -30,-0.3 2,-0.3 -0.921 37.5-168.5 -99.4 117.0 30.3 12.5 46.9 39 38 A V E -a 13 0A 6 -2,-0.6 24,-0.7 -27,-0.2 2,-0.4 -0.827 24.6-159.5-119.0 142.3 31.0 15.0 49.7 40 39 A A E -ac 14 63A 1 -27,-2.0 -25,-2.4 -2,-0.3 2,-0.4 -0.976 17.5-155.6-110.1 133.4 29.3 18.1 51.1 41 40 A L E -ac 15 64A 0 22,-1.8 24,-1.8 -2,-0.4 2,-0.2 -0.922 5.4-147.1-108.9 137.4 31.5 20.4 53.2 42 41 A T E - c 0 65A 5 -27,-1.7 -24,-0.3 -2,-0.4 2,-0.3 -0.596 7.3-160.7 -94.1 161.1 30.1 22.7 55.8 43 42 A Y E - c 0 66A 31 22,-1.6 24,-2.4 -2,-0.2 6,-0.1 -0.974 26.2-119.6-138.9 155.9 31.4 26.2 56.7 44 43 A L S S- 0 0 89 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.883 79.7 -25.4 -69.4 -42.8 30.7 28.1 59.9 45 44 A S S > S- 0 0 40 21,-0.1 3,-2.7 22,-0.1 4,-0.5 -0.967 73.2 -80.4-162.2 171.1 29.0 31.2 58.5 46 45 A E G > S+ 0 0 90 1,-0.3 3,-1.0 -2,-0.3 4,-0.4 0.796 122.5 64.9 -50.0 -34.4 28.7 33.5 55.4 47 46 A T G 3 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.749 105.0 43.3 -51.7 -34.2 32.1 35.1 56.5 48 47 A F G <> S+ 0 0 101 -3,-2.7 4,-1.3 1,-0.2 3,-0.3 0.356 82.2 94.7-105.3 2.9 34.0 31.9 56.0 49 48 A K H <> S+ 0 0 75 -3,-1.0 4,-2.2 -4,-0.5 -1,-0.2 0.876 82.4 59.7 -62.0 -38.5 32.5 30.7 52.6 50 49 A K H 4 S+ 0 0 77 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.871 104.7 49.8 -54.7 -40.6 35.5 32.4 50.9 51 50 A R H > S+ 0 0 52 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.850 114.1 42.8 -68.8 -36.1 37.9 30.2 52.8 52 51 A V H X S+ 0 0 2 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.782 96.1 77.7 -85.6 -27.1 36.1 26.9 52.0 53 52 A D H X S+ 0 0 67 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.917 98.6 41.1 -48.1 -56.5 35.4 27.6 48.3 54 53 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.855 113.9 53.2 -66.9 -31.6 38.9 26.8 47.1 55 54 A L H X S+ 0 0 20 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.960 112.5 45.5 -62.3 -47.6 39.3 23.8 49.4 56 55 A A H X>S+ 0 0 4 -4,-2.9 5,-2.3 1,-0.2 4,-1.0 0.888 110.3 53.5 -61.7 -44.4 36.0 22.4 47.9 57 56 A E H ><5S+ 0 0 75 -4,-2.4 3,-0.6 -5,-0.3 -1,-0.2 0.912 108.4 49.7 -59.5 -41.6 37.0 23.1 44.3 58 57 A S H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 112.5 47.5 -72.0 -27.9 40.3 21.3 44.7 59 58 A L H 3<5S- 0 0 20 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.591 114.3-115.4 -80.8 -14.6 38.5 18.2 46.2 60 59 A G T <<5 + 0 0 64 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.589 61.4 157.0 84.8 11.7 35.8 18.3 43.4 61 60 A V < - 0 0 16 -5,-2.3 -1,-0.3 -6,-0.2 -21,-0.1 -0.593 22.2-179.3 -75.6 129.4 33.1 19.1 46.0 62 61 A K + 0 0 107 -23,-0.4 2,-0.5 -2,-0.3 -1,-0.1 0.583 61.9 65.1-106.1 -12.7 30.1 20.7 44.5 63 62 A L E +c 40 0A 26 -24,-0.7 -22,-1.8 -7,-0.1 2,-0.4 -0.945 53.0 169.1-121.7 117.0 27.9 21.2 47.6 64 63 A T E -c 41 0A 29 -2,-0.5 -22,-0.2 -24,-0.2 -15,-0.0 -0.962 9.5-177.4-122.7 146.3 28.9 23.5 50.5 65 64 A V E -c 42 0A 5 -24,-1.8 -22,-1.6 -2,-0.4 13,-0.1 -1.000 28.8-109.0-144.8 138.7 26.5 24.5 53.3 66 65 A P E +c 43 0A 45 0, 0.0 -22,-0.2 0, 0.0 2,-0.2 -0.384 39.6 168.2 -67.9 146.0 26.5 26.7 56.4 67 66 A C + 0 0 5 -24,-2.4 2,-0.6 10,-0.1 8,-0.1 -0.720 17.8 177.2-161.0 110.4 26.6 24.9 59.7 68 67 A D > - 0 0 56 3,-0.3 3,-2.1 -2,-0.2 7,-0.4 -0.964 20.5-154.3-109.8 111.7 27.3 26.4 63.1 69 68 A V T 3 S+ 0 0 18 -2,-0.6 -1,-0.1 1,-0.3 60,-0.1 0.567 89.7 64.8 -72.2 -5.3 26.8 23.5 65.5 70 69 A S T 3 S+ 0 0 56 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.600 95.0 68.8 -84.1 -11.0 25.9 25.8 68.5 71 70 A D X> - 0 0 72 -3,-2.1 4,-2.0 1,-0.1 3,-0.6 -0.906 66.4-163.4-114.2 105.8 22.8 26.9 66.5 72 71 A A H 3> S+ 0 0 48 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.848 92.0 56.0 -55.7 -36.4 20.1 24.1 66.2 73 72 A E H 3> S+ 0 0 119 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.879 106.3 50.7 -65.5 -38.0 18.4 26.0 63.4 74 73 A S H <> S+ 0 0 16 -3,-0.6 4,-2.0 -6,-0.2 -2,-0.2 0.917 113.0 45.5 -62.6 -46.4 21.6 26.1 61.4 75 74 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 -7,-0.4 5,-0.2 0.925 113.0 50.7 -63.7 -43.3 22.1 22.3 61.9 76 75 A D H X S+ 0 0 53 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.931 110.3 49.5 -62.9 -44.7 18.5 21.7 61.0 77 76 A N H X S+ 0 0 68 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.864 107.2 55.8 -59.8 -37.7 18.8 23.8 57.9 78 77 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.943 109.5 44.6 -63.9 -43.5 21.9 21.9 56.9 79 78 A F H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.832 109.5 57.4 -71.6 -28.4 20.1 18.5 57.0 80 79 A K H X S+ 0 0 42 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.928 107.6 48.0 -61.7 -44.3 17.1 20.0 55.2 81 80 A V H X S+ 0 0 28 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.923 112.7 47.5 -63.2 -44.3 19.5 21.0 52.3 82 81 A L H X>S+ 0 0 2 -4,-2.2 4,-3.0 1,-0.2 5,-0.8 0.905 110.8 51.4 -66.2 -38.8 21.1 17.5 52.2 83 82 A A H X5S+ 0 0 38 -4,-2.5 4,-1.1 3,-0.2 -1,-0.2 0.910 113.0 46.4 -63.1 -41.8 17.7 15.8 52.3 84 83 A E H <5S+ 0 0 160 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 119.2 39.6 -65.5 -44.6 16.6 18.0 49.4 85 84 A E H <5S+ 0 0 120 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 137.0 9.0 -71.5 -43.9 19.8 17.5 47.3 86 85 A W H <5S- 0 0 40 -4,-3.0 2,-0.3 -5,-0.2 -3,-0.2 0.657 74.6-143.4-115.9 -28.0 20.4 13.8 48.0 87 86 A G S <> - 0 0 65 -2,-0.3 4,-1.0 1,-0.2 3,-0.5 -0.570 35.2-150.3 -72.5 118.0 38.5 28.6 75.9 101 100 A K H 3> S+ 0 0 71 -2,-0.5 4,-0.6 1,-0.2 3,-0.3 0.830 92.3 56.9 -61.6 -32.7 42.2 28.9 74.9 102 101 A N H >4 S+ 0 0 142 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.869 103.0 53.0 -70.1 -32.6 43.1 30.9 78.0 103 102 A E H X4 S+ 0 0 46 -3,-0.5 3,-0.9 1,-0.2 -1,-0.2 0.794 97.2 67.5 -74.3 -22.4 41.9 28.2 80.4 104 103 A L H 3< S+ 0 0 29 -4,-1.0 -1,-0.2 -3,-0.3 54,-0.2 0.780 94.6 57.9 -62.9 -28.2 44.0 25.6 78.7 105 104 A K T << S+ 0 0 75 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.705 107.9 52.3 -75.8 -20.6 47.2 27.3 79.9 106 105 A G S < S- 0 0 44 -3,-0.9 2,-0.3 -4,-0.4 52,-0.2 0.060 101.8 -55.9-101.6-155.0 46.1 26.9 83.6 107 106 A R > - 0 0 80 1,-0.1 3,-1.5 51,-0.1 -1,-0.2 -0.713 33.9-131.8 -93.5 143.5 44.9 24.2 85.9 108 107 A Y G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.869 106.9 63.3 -53.4 -41.2 42.0 21.9 85.2 109 108 A V G 3 S+ 0 0 1 1,-0.3 -1,-0.3 329,-0.2 286,-0.2 0.715 97.5 57.8 -62.7 -18.1 40.7 22.6 88.8 110 109 A D G < S+ 0 0 91 -3,-1.5 -1,-0.3 -7,-0.1 -2,-0.2 0.275 75.5 137.2 -94.1 10.2 40.3 26.3 87.9 111 110 A T < - 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