==== 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 16-JAN-97 1DFG . COMPND 2 MOLECULE: ENOYL ACYL CARRIER PROTEIN REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.BALDOCK,J.B.RAFFERTY,D.W.RICE . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 380 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.1 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 . 1 0.2 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 4 7 1 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 3 2 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 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 2 A G > 0 0 62 0, 0.0 3,-1.9 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 144.5 31.4 24.7 138.9 2 3 A F T 3 + 0 0 77 1,-0.3 232,-0.6 231,-0.0 233,-0.3 0.563 360.0 53.6 -71.6 1.0 29.6 27.9 140.1 3 4 A L T > S+ 0 0 0 27,-3.2 3,-1.3 24,-0.1 -1,-0.3 0.385 77.9 137.4-109.8 0.4 27.5 25.6 142.3 4 5 A S T < + 0 0 80 -3,-1.9 28,-0.2 26,-0.8 3,-0.1 -0.237 68.1 23.9 -54.2 129.3 30.5 23.9 144.0 5 6 A G T 3 S+ 0 0 66 26,-0.9 2,-0.4 1,-0.4 -1,-0.3 0.590 95.9 120.3 90.6 15.9 30.1 23.5 147.7 6 7 A K < - 0 0 17 -3,-1.3 27,-3.4 25,-0.4 2,-0.5 -0.892 48.9-157.5-115.3 143.1 26.3 23.6 147.6 7 8 A R E -a 33 0A 81 -2,-0.4 78,-3.4 25,-0.2 2,-0.4 -0.990 23.0-179.0-116.0 113.6 23.9 20.9 148.8 8 9 A I E -a 34 0A 0 25,-2.8 27,-1.1 -2,-0.5 2,-0.4 -0.954 21.8-136.7-121.3 138.2 20.6 21.4 147.0 9 10 A L E -ab 35 87A 0 77,-2.8 79,-3.3 -2,-0.4 2,-0.5 -0.798 18.4-152.1 -97.2 130.2 17.4 19.4 147.4 10 11 A V E -ab 36 88A 0 25,-3.7 27,-1.5 -2,-0.4 2,-0.2 -0.916 11.5-171.6-117.0 132.3 15.5 18.5 144.2 11 12 A T + 0 0 1 77,-2.1 27,-0.1 -2,-0.5 25,-0.0 -0.628 57.6 26.9-106.6 157.5 11.7 18.0 144.0 12 13 A G + 0 0 26 -2,-0.2 8,-0.4 1,-0.2 2,-0.3 0.547 62.3 155.0 57.1 51.1 9.4 16.7 141.3 13 14 A V + 0 0 3 24,-0.4 -1,-0.2 -3,-0.2 34,-0.1 -0.589 6.8 146.7 -91.4 130.1 11.7 14.4 139.1 14 15 A A + 0 0 46 1,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.443 63.6 0.8-137.4 -14.0 9.4 11.9 137.4 15 16 A S S > S- 0 0 42 31,-0.1 3,-1.0 32,-0.0 -1,-0.5 -0.940 75.8 -95.3-163.9 174.8 11.2 11.2 134.0 16 17 A K T 3 S+ 0 0 96 -2,-0.3 -3,-0.0 1,-0.3 6,-0.0 0.589 127.0 54.0 -73.8 -10.7 14.3 12.2 131.8 17 18 A L T 3 S+ 0 0 83 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.446 82.5 112.8-102.9 -8.6 11.9 14.7 130.3 18 19 A S S X> S- 0 0 26 -3,-1.0 4,-1.6 1,-0.1 3,-0.8 -0.501 72.9-128.0 -69.3 141.0 10.9 16.3 133.6 19 20 A I H 3> S+ 0 0 44 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.828 111.3 57.7 -56.8 -35.5 12.0 20.0 134.1 20 21 A A H 3> S+ 0 0 0 -8,-0.4 4,-3.2 2,-0.2 -1,-0.3 0.856 100.4 56.8 -64.2 -36.8 13.5 19.0 137.5 21 22 A Y H <> S+ 0 0 25 -3,-0.8 4,-3.0 -6,-0.3 -2,-0.2 0.968 109.6 45.5 -58.3 -49.5 15.6 16.4 135.7 22 23 A G H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.856 112.3 50.1 -62.5 -36.0 17.1 19.2 133.6 23 24 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.972 112.2 49.0 -68.8 -44.0 17.6 21.4 136.6 24 25 A A H X S+ 0 0 0 -4,-3.2 4,-3.5 1,-0.2 5,-0.3 0.946 108.5 52.1 -54.4 -58.0 19.3 18.6 138.4 25 26 A Q H X S+ 0 0 80 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.904 113.6 44.5 -45.7 -49.2 21.7 17.8 135.4 26 27 A A H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.905 113.8 48.7 -65.4 -46.8 22.8 21.5 135.2 27 28 A M H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 -2,-0.2 0.925 112.7 48.0 -61.8 -44.7 23.2 21.9 138.9 28 29 A H H ><5S+ 0 0 77 -4,-3.5 3,-2.4 -5,-0.2 -2,-0.2 0.960 109.6 52.9 -60.3 -48.8 25.2 18.7 139.1 29 30 A R H 3<5S+ 0 0 133 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.839 107.0 53.5 -54.9 -34.3 27.3 19.8 136.2 30 31 A E T 3<5S- 0 0 33 -4,-2.0 -27,-3.2 -5,-0.1 -26,-0.8 0.304 129.9 -93.6 -86.7 10.5 28.0 23.1 138.0 31 32 A G T < 5S+ 0 0 31 -3,-2.4 -26,-0.9 1,-0.2 -25,-0.4 0.603 72.0 147.6 95.1 15.3 29.2 21.2 141.1 32 33 A A < - 0 0 4 -5,-2.2 2,-0.5 -28,-0.2 -1,-0.2 -0.549 45.5-129.1 -85.9 148.9 26.3 20.9 143.4 33 34 A E E -a 7 0A 91 -27,-3.4 -25,-2.8 -30,-0.3 2,-0.3 -0.826 35.8-153.9 -93.6 127.5 25.6 18.0 145.7 34 35 A L E -a 8 0A 7 -2,-0.5 24,-0.4 20,-0.3 2,-0.3 -0.754 22.5-176.5-112.2 158.2 22.1 16.7 145.2 35 36 A A E -a 9 0A 0 -27,-1.1 -25,-3.7 -2,-0.3 2,-0.3 -0.965 16.1-152.6-142.0 150.6 19.3 14.9 147.0 36 37 A F E -ac 10 59A 1 22,-3.4 24,-2.8 -2,-0.3 2,-0.3 -0.932 9.4-162.3-133.3 155.3 16.0 13.8 145.7 37 38 A T E - c 0 60A 6 -27,-1.5 -24,-0.4 -2,-0.3 2,-0.3 -0.927 10.2-156.3-126.4 155.8 12.6 13.2 146.9 38 39 A Y E - c 0 61A 20 22,-2.5 24,-3.2 -2,-0.3 -24,-0.1 -0.929 17.3-132.8-131.4 155.0 9.8 11.2 145.2 39 40 A Q S S- 0 0 107 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.901 75.7 -11.8 -75.2 -44.8 6.1 11.4 145.6 40 41 A N S >> S- 0 0 63 1,-0.1 3,-2.3 21,-0.1 4,-0.7 -0.939 76.5 -83.3-153.9 171.8 5.1 7.8 145.9 41 42 A D G >4 S+ 0 0 123 -2,-0.3 3,-1.5 1,-0.3 4,-0.4 0.863 115.8 67.4 -48.2 -41.9 6.2 4.2 145.6 42 43 A K G 34 S+ 0 0 180 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.607 107.1 38.7 -58.4 -11.4 5.6 4.1 141.9 43 44 A L G <> S+ 0 0 26 -3,-2.3 4,-2.1 2,-0.1 5,-0.4 0.476 86.8 101.1-115.7 -5.5 8.4 6.5 141.2 44 45 A K H S+ 0 0 30 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.892 112.9 54.7 -62.4 -45.8 13.1 3.3 141.4 46 47 A R H > S+ 0 0 130 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.973 114.7 39.3 -50.7 -61.5 13.1 5.7 138.5 47 48 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.868 112.7 57.1 -59.3 -38.3 14.2 8.6 140.8 48 49 A E H X S+ 0 0 88 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.929 109.5 46.9 -60.9 -38.4 16.6 6.2 142.5 49 50 A E H X S+ 0 0 107 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.951 111.7 47.5 -68.7 -48.8 18.1 5.5 139.1 50 51 A F H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.3 5,-0.2 0.953 109.3 55.0 -56.4 -49.3 18.4 9.1 138.0 51 52 A A H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.3 3,-0.3 0.906 104.0 55.7 -49.6 -45.8 20.0 10.0 141.3 52 53 A A H ><5S+ 0 0 65 -4,-1.6 3,-2.1 1,-0.3 -1,-0.3 0.948 107.4 48.0 -54.4 -48.8 22.6 7.3 140.7 53 54 A Q H 3<5S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.832 109.9 53.5 -62.6 -25.9 23.5 8.9 137.4 54 55 A L T 3<5S- 0 0 11 -4,-2.0 -20,-0.3 -3,-0.3 -1,-0.3 0.220 122.2-107.2 -97.3 16.2 23.7 12.3 139.2 55 56 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.702 78.6 124.6 59.2 45.2 26.1 10.8 141.8 56 57 A S < + 0 0 14 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.901 40.9 177.2-134.7 151.8 23.5 10.7 144.6 57 58 A D + 0 0 147 -2,-0.4 2,-0.9 -23,-0.2 -22,-0.1 0.035 57.0 108.4-129.4 19.7 22.1 8.2 147.0 58 59 A I + 0 0 17 -24,-0.4 -22,-3.4 -7,-0.1 2,-0.4 -0.868 40.5 152.3-102.4 97.2 19.9 10.6 148.9 59 60 A V E +c 36 0A 22 -2,-0.9 2,-0.3 -24,-0.2 -22,-0.2 -0.940 13.4 169.8-135.4 110.2 16.5 9.7 147.9 60 61 A L E -c 37 0A 33 -24,-2.8 -22,-2.5 -2,-0.4 2,-0.2 -0.857 31.6-115.3-120.8 156.3 13.4 10.2 150.0 61 62 A Q E +c 38 0A 83 -2,-0.3 2,-0.2 -24,-0.3 -22,-0.2 -0.592 34.5 169.9 -86.2 149.6 9.7 10.1 149.7 62 63 A C - 0 0 9 -24,-3.2 2,-0.7 -2,-0.2 8,-0.1 -0.754 18.4-172.7-162.9 114.3 7.7 13.2 150.1 63 64 A D > - 0 0 49 -2,-0.2 3,-2.0 3,-0.2 7,-0.3 -0.925 14.1-156.6-110.0 112.5 4.1 13.8 149.4 64 65 A V T 3 S+ 0 0 8 -2,-0.7 -1,-0.1 1,-0.3 61,-0.1 0.545 85.1 77.0 -65.7 -5.6 3.4 17.5 149.9 65 66 A A T 3 S+ 0 0 33 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.779 93.1 59.0 -72.8 -26.9 -0.2 16.8 150.5 66 67 A E <> - 0 0 118 -3,-2.0 4,-1.8 1,-0.1 5,-0.2 -0.918 66.8-155.4-109.6 126.1 0.7 15.7 154.1 67 68 A D H > S+ 0 0 77 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.882 100.3 55.1 -62.1 -37.9 2.5 17.9 156.6 68 69 A A H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 103.0 55.7 -64.4 -37.4 3.8 14.8 158.3 69 70 A S H > S+ 0 0 21 -6,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.940 111.1 44.1 -59.7 -44.4 5.3 13.6 155.1 70 71 A I H X S+ 0 0 3 -4,-1.8 4,-2.3 -7,-0.3 5,-0.3 0.957 112.0 52.2 -67.5 -45.4 7.2 16.8 154.8 71 72 A D H X S+ 0 0 101 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.885 113.6 45.3 -56.1 -41.7 8.3 16.8 158.4 72 73 A T H X S+ 0 0 78 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.905 106.9 55.6 -71.6 -41.5 9.6 13.3 158.0 73 74 A M H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.966 113.5 42.5 -57.4 -49.8 11.4 13.8 154.8 74 75 A F H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.879 109.4 58.2 -64.1 -35.6 13.4 16.7 156.4 75 76 A A H < S+ 0 0 60 -4,-1.9 4,-0.2 -5,-0.3 -1,-0.2 0.945 114.1 38.9 -58.0 -44.8 13.8 14.7 159.5 76 77 A E H >X S+ 0 0 78 -4,-2.8 3,-2.0 1,-0.2 4,-0.5 0.921 112.4 55.2 -70.5 -46.1 15.5 12.0 157.4 77 78 A L H >X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.3 3,-1.4 0.880 102.3 59.6 -55.7 -38.8 17.4 14.4 155.1 78 79 A G H 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.595 86.8 73.2 -68.2 -10.8 18.9 16.0 158.2 79 80 A K H <4 S+ 0 0 163 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.830 119.1 18.2 -72.3 -25.5 20.5 12.7 159.3 80 81 A V H << S+ 0 0 71 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.1 0.720 136.6 36.0-113.3 -31.9 22.9 13.3 156.4 81 82 A W < + 0 0 3 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.839 57.8 171.4-126.3 90.0 22.6 17.0 155.6 82 83 A P S S+ 0 0 84 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.778 80.8 22.5 -70.5 -24.0 22.0 18.8 158.9 83 84 A K S S+ 0 0 105 -3,-0.1 2,-0.2 51,-0.0 51,-0.2 -0.986 76.3 166.0-141.6 143.0 22.4 22.0 156.9 84 85 A F B -g 134 0B 0 49,-2.0 51,-2.4 -2,-0.4 -76,-0.2 -0.854 36.2-116.0-148.0-166.4 21.9 22.6 153.3 85 86 A D - 0 0 14 -78,-3.4 54,-1.7 1,-0.4 2,-0.2 0.279 69.8 -39.2-130.8 14.6 21.6 25.3 150.8 86 87 A G - 0 0 0 -79,-0.3 -77,-2.8 52,-0.2 -1,-0.4 -0.470 42.5-124.6 137.3 149.6 18.2 25.3 149.1 87 88 A F E -b 9 0A 0 -79,-0.3 54,-1.6 -2,-0.2 2,-0.6 -0.970 17.4-136.1-127.6 136.9 15.5 23.2 147.6 88 89 A V E -bd 10 141A 0 -79,-3.3 -77,-2.1 -2,-0.4 2,-0.7 -0.864 15.3-155.0 -97.9 119.6 14.0 23.3 144.1 89 90 A H E + d 0 142A 0 52,-3.7 54,-0.8 -2,-0.6 2,-0.1 -0.883 27.6 157.5-103.8 105.4 10.2 23.1 144.0 90 91 A S + 0 0 27 -2,-0.7 2,-0.3 52,-0.2 -70,-0.2 -0.594 36.4 122.0-124.7 61.4 9.0 21.7 140.7 91 92 A I + 0 0 38 28,-0.1 2,-0.3 -2,-0.1 52,-0.2 -0.934 21.0 139.4-132.8 151.1 5.6 20.4 141.8 92 93 A G - 0 0 42 -2,-0.3 2,-0.3 30,-0.0 27,-0.1 -0.857 14.5-178.6 175.6 148.4 2.0 21.0 140.9 93 94 A F + 0 0 115 22,-0.4 26,-0.3 -2,-0.3 25,-0.3 -0.853 7.3 173.7-161.4 131.9 -1.2 19.1 140.4 94 95 A A - 0 0 14 -2,-0.3 2,-0.1 24,-0.1 5,-0.1 -0.937 45.4-100.9-123.8 150.5 -4.8 19.9 139.4 95 96 A P > - 0 0 27 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.567 37.3-121.9 -64.7 135.0 -7.6 17.1 138.8 96 97 A G G > S+ 0 0 47 1,-0.3 3,-2.7 2,-0.2 4,-0.3 0.838 107.1 70.1 -47.2 -43.9 -7.9 16.7 135.1 97 98 A D G > S+ 0 0 94 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.784 95.5 60.6 -47.4 -27.4 -11.6 17.5 134.9 98 99 A Q G < S+ 0 0 0 -3,-2.4 59,-0.5 1,-0.2 -1,-0.3 0.756 95.8 59.0 -74.7 -26.4 -10.4 21.0 135.9 99 100 A L G < S+ 0 0 15 -3,-2.7 101,-0.7 -4,-0.4 2,-0.5 0.349 89.3 74.3 -94.6 15.4 -8.3 21.6 132.8 100 101 A D S < S- 0 0 66 -3,-0.7 2,-0.2 -4,-0.3 -1,-0.1 -0.944 88.1 -13.1-133.3 123.1 -10.6 21.2 130.0 101 102 A G S S+ 0 0 36 -2,-0.5 53,-0.5 4,-0.1 2,-0.3 -0.565 103.6 7.9 102.9-165.3 -13.3 23.7 128.8 102 103 A D > - 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