==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-JAN-97 1DFI . COMPND 2 MOLECULE: ENOYL ACYL CARRIER PROTEIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.BALDOCK,J.B.RAFFERTY,D.W.RICE . 988 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 740 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 13.5 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 . 3 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 . 54 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 4 0 0 4 0 0 6 9 3 2 4 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 4 8 3 3 1 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 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 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 2 A G > 0 0 68 0, 0.0 3,-1.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-169.5 23.2 2.0 52.9 2 3 A F T 3 + 0 0 38 1,-0.2 223,-0.5 222,-0.0 224,-0.3 0.429 360.0 50.0 -82.3 7.9 22.5 4.1 49.7 3 4 A L T > S+ 0 0 1 27,-2.6 3,-1.6 24,-0.2 30,-0.3 0.224 77.2 134.0-119.0 1.9 18.7 4.0 50.3 4 5 A S T < S+ 0 0 73 -3,-1.1 28,-0.2 26,-0.7 3,-0.1 -0.354 71.9 23.8 -59.3 131.9 18.7 5.2 54.0 5 6 A G T 3 S+ 0 0 68 26,-0.9 2,-0.4 1,-0.3 -1,-0.3 0.609 98.5 118.5 87.5 10.0 16.2 7.9 54.6 6 7 A K < - 0 0 18 -3,-1.6 27,-3.1 25,-0.3 2,-0.6 -0.909 52.6-151.4-111.5 141.4 14.0 6.8 51.7 7 8 A R E -a 33 0A 85 -2,-0.4 78,-2.8 25,-0.2 2,-0.4 -0.957 21.5-179.0-114.0 117.5 10.5 5.6 52.0 8 9 A I E -a 34 0A 0 25,-2.1 27,-1.2 -2,-0.6 2,-0.4 -0.960 21.8-143.5-124.6 132.3 9.5 3.2 49.2 9 10 A L E -ab 35 87A 0 77,-2.2 79,-2.7 -2,-0.4 2,-0.5 -0.763 18.0-160.7 -91.5 128.9 6.2 1.4 48.4 10 11 A V E -ab 36 88A 0 25,-2.4 27,-1.5 -2,-0.4 3,-0.2 -0.952 6.9-170.7-116.7 123.9 6.6 -2.1 47.1 11 12 A T + 0 0 1 77,-1.9 27,-0.1 -2,-0.5 25,-0.0 -0.671 57.8 36.8-104.4 163.4 3.7 -3.9 45.2 12 13 A G + 0 0 31 1,-0.2 2,-0.7 -2,-0.2 8,-0.4 0.671 59.0 151.4 74.1 21.0 3.4 -7.5 44.0 13 14 A V + 0 0 2 24,-0.6 -1,-0.2 -3,-0.2 3,-0.1 -0.759 8.0 146.8 -83.1 115.8 5.0 -9.5 46.8 14 15 A A - 0 0 40 -2,-0.7 2,-0.3 1,-0.5 -1,-0.2 0.549 67.4 -3.8-123.3 -21.0 3.1 -12.8 46.7 15 16 A S S S- 0 0 24 -3,-0.2 -1,-0.5 31,-0.0 6,-0.2 -0.903 74.9 -98.5-159.1 177.9 5.9 -15.2 47.7 16 17 A K S S+ 0 0 138 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.505 122.0 59.9 -86.9 -5.1 9.5 -15.2 48.6 17 18 A L S S+ 0 0 85 4,-0.1 -1,-0.2 5,-0.0 176,-0.1 0.657 83.4 108.8 -89.1 -25.2 10.2 -16.4 45.1 18 19 A S S >> S- 0 0 14 -3,-0.2 4,-2.0 1,-0.1 3,-1.7 -0.307 77.5-126.8 -61.0 133.6 8.6 -13.2 43.6 19 20 A I H 3> S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.856 111.4 58.2 -48.6 -38.6 10.8 -10.6 42.1 20 21 A A H 3> S+ 0 0 0 -8,-0.4 4,-3.1 2,-0.2 -1,-0.3 0.833 102.1 52.9 -66.2 -29.2 9.2 -8.0 44.4 21 22 A Y H <> S+ 0 0 21 -3,-1.7 4,-2.9 -6,-0.2 5,-0.2 0.969 110.4 50.0 -65.8 -46.4 10.3 -10.0 47.5 22 23 A G H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.865 113.2 44.9 -55.4 -41.9 13.8 -9.9 45.9 23 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 5,-0.3 0.914 110.5 53.1 -71.8 -43.1 13.6 -6.2 45.4 24 25 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.932 109.7 50.4 -57.6 -44.8 12.1 -5.6 48.9 25 26 A Q H X S+ 0 0 68 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.892 111.1 46.2 -59.1 -43.4 15.0 -7.5 50.5 26 27 A A H X S+ 0 0 5 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.900 113.6 47.7 -72.4 -38.1 17.7 -5.6 48.6 27 28 A M H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 3,-0.3 0.902 111.5 51.5 -66.2 -41.1 16.2 -2.2 49.3 28 29 A H H ><5S+ 0 0 76 -4,-2.4 3,-2.3 -5,-0.3 -2,-0.2 0.954 105.3 56.5 -63.2 -41.4 15.8 -3.0 52.9 29 30 A R H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.1 52.1 -58.3 -33.0 19.4 -4.1 53.1 30 31 A E T 3<5S- 0 0 26 -4,-1.2 -27,-2.6 -3,-0.3 -26,-0.7 0.303 128.0 -95.5 -91.5 10.7 20.4 -0.6 51.8 31 32 A G T < 5S+ 0 0 28 -3,-2.3 -26,-0.9 1,-0.3 -25,-0.3 0.574 70.7 147.8 95.5 12.9 18.4 1.1 54.5 32 33 A A < - 0 0 7 -5,-2.1 2,-0.6 -28,-0.2 -1,-0.3 -0.500 46.7-126.9 -78.0 154.3 15.0 2.0 52.9 33 34 A E E -a 7 0A 94 -27,-3.1 -25,-2.1 -30,-0.3 2,-0.2 -0.877 35.7-151.0 -97.6 127.4 11.9 2.1 55.0 34 35 A L E -a 8 0A 7 -2,-0.6 24,-0.4 20,-0.4 2,-0.3 -0.623 24.0-178.8-104.8 158.8 9.3 -0.1 53.3 35 36 A A E -a 9 0A 0 -27,-1.2 -25,-2.4 -2,-0.2 2,-0.3 -0.926 19.0-153.4-144.5 150.7 5.5 -0.4 52.9 36 37 A F E -ac 10 59A 0 22,-1.9 24,-3.2 -2,-0.3 2,-0.3 -0.972 9.7-152.0-135.2 155.6 3.6 -3.1 50.9 37 38 A T E - c 0 60A 8 -27,-1.5 -24,-0.6 -2,-0.3 2,-0.3 -0.845 8.7-163.1-120.1 157.6 0.4 -3.8 49.1 38 39 A Y E - c 0 61A 15 22,-1.8 24,-3.1 -2,-0.3 3,-0.1 -0.964 16.5-138.8-139.3 147.5 -1.4 -7.0 48.6 39 40 A Q S S+ 0 0 117 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.907 77.1 11.8 -73.9 -51.2 -4.1 -7.7 46.0 40 41 A N S >> S- 0 0 67 21,-0.1 3,-2.0 1,-0.0 4,-1.0 -0.892 77.3-103.8-131.1 164.3 -6.6 -9.8 47.9 41 42 A D T 34 S+ 0 0 106 -2,-0.3 4,-0.4 1,-0.3 3,-0.1 0.769 113.9 68.0 -61.2 -20.8 -7.4 -10.8 51.4 42 43 A K T 34 S+ 0 0 191 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.794 101.1 46.6 -68.4 -28.3 -6.0 -14.2 50.8 43 44 A L T X> S+ 0 0 35 -3,-2.0 4,-1.8 1,-0.2 3,-1.3 0.785 87.9 95.9 -84.6 -25.3 -2.5 -12.8 50.5 44 45 A K H 3X S+ 0 0 76 -4,-1.0 4,-2.7 1,-0.3 5,-0.2 0.712 81.4 44.0 -30.0 -61.9 -2.7 -10.6 53.6 45 46 A G H 3> S+ 0 0 43 -4,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.777 112.1 52.3 -65.3 -31.0 -1.1 -12.7 56.3 46 47 A R H <> S+ 0 0 116 -3,-1.3 4,-2.1 -4,-0.2 -1,-0.2 0.909 113.2 45.4 -72.0 -42.5 1.9 -13.8 54.2 47 48 A V H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 5,-0.3 0.963 109.1 53.4 -65.9 -49.7 2.6 -10.3 53.3 48 49 A E H X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.886 110.2 52.1 -50.7 -38.5 2.3 -9.0 56.8 49 50 A E H X S+ 0 0 113 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.907 111.8 42.5 -66.5 -47.5 4.8 -11.7 57.8 50 51 A F H X S+ 0 0 12 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.925 112.4 54.4 -65.0 -47.2 7.4 -10.8 55.2 51 52 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.9 1,-0.2 3,-0.8 0.891 104.7 55.0 -54.6 -42.3 7.0 -7.1 55.9 52 53 A A H ><5S+ 0 0 63 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.924 102.9 54.6 -59.1 -45.2 7.6 -7.7 59.5 53 54 A Q H 3<5S+ 0 0 120 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.749 108.6 52.1 -58.6 -23.5 10.9 -9.4 58.7 54 55 A L T <<5S- 0 0 13 -4,-1.0 -20,-0.4 -3,-0.8 -1,-0.3 0.010 123.5-102.1-107.5 30.2 11.8 -6.2 56.8 55 56 A G T < 5S+ 0 0 76 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.692 81.7 125.6 62.0 25.8 11.0 -3.9 59.7 56 57 A S < + 0 0 12 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.2 -0.891 38.0 175.4-118.7 148.3 7.6 -2.7 58.3 57 58 A D + 0 0 149 -2,-0.4 2,-0.8 -23,-0.3 -22,-0.1 0.235 57.4 105.9-126.3 12.6 4.1 -2.7 59.6 58 59 A I + 0 0 21 -24,-0.4 -22,-1.9 -7,-0.1 2,-0.3 -0.824 37.2 152.8 -96.5 105.3 2.6 -0.9 56.6 59 60 A V E +c 36 0A 20 -2,-0.8 2,-0.3 -24,-0.2 -22,-0.2 -0.874 16.7 177.2-138.7 100.0 0.7 -3.5 54.7 60 61 A L E -c 37 0A 35 -24,-3.2 -22,-1.8 -2,-0.3 2,-0.3 -0.823 26.9-121.9-113.6 147.9 -2.2 -2.2 52.6 61 62 A Q E +c 38 0A 77 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.608 35.4 168.4 -85.3 146.6 -4.6 -3.9 50.3 62 63 A C - 0 0 9 -24,-3.1 2,-0.7 -2,-0.3 8,-0.1 -0.819 25.3-167.6-162.9 124.1 -4.9 -2.7 46.7 63 64 A D > - 0 0 49 -2,-0.3 3,-1.9 3,-0.2 6,-0.3 -0.943 12.1-159.6-109.8 110.3 -6.5 -3.9 43.5 64 65 A V T 3 S+ 0 0 12 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.602 86.5 72.8 -66.3 -10.7 -5.1 -2.0 40.6 65 66 A A T 3 S+ 0 0 37 1,-0.2 2,-0.6 2,-0.0 -1,-0.3 0.746 94.4 65.6 -73.0 -17.1 -8.1 -2.9 38.4 66 67 A E X> - 0 0 114 -3,-1.9 4,-1.6 1,-0.1 3,-0.7 -0.887 65.8-159.1-113.9 115.4 -10.1 -0.4 40.6 67 68 A D H 3> S+ 0 0 72 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.860 96.3 54.7 -52.4 -40.9 -9.5 3.2 40.7 68 69 A A H 3> S+ 0 0 58 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.851 103.2 53.6 -65.7 -37.1 -11.1 3.5 44.0 69 70 A S H <> S+ 0 0 22 -3,-0.7 4,-2.2 -6,-0.3 -1,-0.2 0.823 109.8 49.7 -65.5 -33.6 -9.0 0.8 45.7 70 71 A I H X S+ 0 0 2 -4,-1.6 4,-2.5 -7,-0.3 5,-0.2 0.958 112.0 46.4 -69.6 -51.3 -5.9 2.8 44.6 71 72 A D H X S+ 0 0 93 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.876 113.5 49.5 -59.1 -41.9 -7.2 6.1 45.9 72 73 A T H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 3,-0.4 0.938 108.6 53.3 -66.2 -43.6 -8.2 4.4 49.1 73 74 A M H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.918 110.1 46.4 -57.7 -45.7 -4.7 2.8 49.5 74 75 A F H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.777 109.1 56.5 -71.6 -20.6 -2.9 6.1 49.1 75 76 A A H X S+ 0 0 51 -4,-1.3 4,-0.5 -3,-0.4 -2,-0.2 0.955 111.8 41.9 -69.7 -52.8 -5.3 7.7 51.6 76 77 A E H >X S+ 0 0 85 -4,-2.5 3,-1.9 1,-0.2 4,-0.6 0.943 114.0 51.6 -59.0 -50.6 -4.4 5.2 54.2 77 78 A L H >X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.3 3,-1.2 0.875 100.9 63.4 -57.6 -35.4 -0.8 5.3 53.3 78 79 A G H 3< S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.669 91.5 67.5 -63.6 -15.3 -0.9 9.1 53.6 79 80 A K H << S+ 0 0 161 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.833 116.7 22.3 -74.8 -34.2 -1.7 8.6 57.3 80 81 A V H << S+ 0 0 74 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.776 138.2 29.9 -98.1 -38.8 1.7 7.2 58.0 81 82 A W < + 0 0 8 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.1 -0.851 57.9 172.3-125.8 91.7 3.6 8.7 55.1 82 83 A P S S+ 0 0 87 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.746 83.3 25.2 -71.2 -21.2 2.2 12.0 53.9 83 84 A K S S+ 0 0 115 -3,-0.1 2,-0.3 -5,-0.0 51,-0.2 -0.996 77.2 167.1-140.5 139.6 5.2 12.2 51.7 84 85 A F E - 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