==== 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 12-FEB-01 1I30 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.SEEFELD,W.H.MILLER,D.J.PAYNE,C.A.JANSON,X.QIU . 496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 12.5 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 . 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 . 29 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 6 7 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 4 1 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 2 A G > 0 0 61 0, 0.0 3,-1.2 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-167.6 31.8 24.0 138.9 2 3 A F T 3 + 0 0 76 1,-0.2 225,-0.5 224,-0.0 226,-0.2 0.420 360.0 54.7 -78.9 6.0 30.1 27.1 140.2 3 4 A L T > S+ 0 0 0 27,-2.0 3,-1.8 24,-0.1 30,-0.3 0.255 73.8 135.5-117.0 7.8 28.1 24.8 142.6 4 5 A S T < S+ 0 0 79 -3,-1.2 28,-0.2 26,-0.5 27,-0.1 -0.361 72.4 23.3 -59.2 130.7 31.1 23.1 144.2 5 6 A G T 3 S+ 0 0 69 26,-0.8 2,-0.4 1,-0.3 -1,-0.3 0.518 96.7 117.6 91.2 5.2 30.7 22.9 148.0 6 7 A K < - 0 0 17 -3,-1.8 27,-2.6 25,-0.3 2,-0.6 -0.858 52.7-150.0-107.6 142.7 26.9 23.2 147.9 7 8 A R E -a 33 0A 83 -2,-0.4 78,-3.1 25,-0.2 2,-0.4 -0.959 23.0-177.6-113.1 117.1 24.5 20.5 149.2 8 9 A I E -a 34 0A 0 25,-2.4 27,-1.3 -2,-0.6 2,-0.4 -0.965 19.6-148.7-125.6 128.7 21.2 20.6 147.3 9 10 A L E -ab 35 87A 0 77,-1.9 79,-2.8 -2,-0.4 2,-0.5 -0.761 15.5-161.2 -91.8 135.0 18.0 18.6 147.7 10 11 A V E -ab 36 88A 0 25,-3.0 27,-1.5 -2,-0.4 3,-0.3 -0.958 8.0-175.8-124.4 118.2 16.0 17.9 144.5 11 12 A T + 0 0 2 77,-2.0 3,-0.1 -2,-0.5 27,-0.1 -0.484 59.4 40.7-101.4 172.6 12.3 16.8 144.5 12 13 A G + 0 0 29 1,-0.2 2,-1.2 -2,-0.2 8,-0.3 0.495 60.0 148.5 71.5 4.6 10.1 15.8 141.6 13 14 A V + 0 0 3 24,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.615 8.6 151.5 -74.8 102.1 12.5 13.7 139.5 14 15 A A - 0 0 58 -2,-1.2 2,-0.3 1,-0.3 -1,-0.2 0.523 62.7 -9.8-108.7 -8.9 10.1 11.2 137.9 15 16 A S S > S- 0 0 27 -3,-0.1 3,-1.2 32,-0.0 -1,-0.3 -0.964 78.3 -84.9-174.7 172.3 11.9 10.4 134.6 16 17 A K T 3 S+ 0 0 128 -2,-0.3 -3,-0.0 1,-0.3 177,-0.0 0.597 125.8 51.8 -68.4 -12.3 14.7 11.4 132.3 17 18 A L T 3 S+ 0 0 91 4,-0.1 -1,-0.3 5,-0.0 197,-0.1 0.539 82.6 116.4 -98.9 -13.1 12.5 14.1 130.7 18 19 A S S X> S- 0 0 14 -3,-1.2 4,-1.9 1,-0.1 3,-0.7 -0.279 71.3-130.0 -58.8 142.0 11.5 15.7 134.1 19 20 A I H 3> S+ 0 0 31 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.948 111.4 57.9 -56.3 -47.6 12.6 19.3 134.5 20 21 A A H 3> S+ 0 0 0 -8,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.791 104.1 53.2 -52.6 -32.0 14.0 18.3 137.9 21 22 A Y H <> S+ 0 0 23 -3,-0.7 4,-2.6 -6,-0.3 -1,-0.3 0.927 107.6 49.4 -69.4 -46.9 16.1 15.7 136.1 22 23 A G H X S+ 0 0 2 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.852 112.8 49.4 -61.3 -31.9 17.5 18.4 133.8 23 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.911 108.9 49.6 -74.2 -43.6 18.2 20.5 136.8 24 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.938 107.9 55.7 -62.0 -44.3 20.0 17.7 138.8 25 26 A Q H X S+ 0 0 69 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.950 112.1 42.7 -51.6 -50.7 22.2 17.0 135.7 26 27 A A H X S+ 0 0 4 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.862 114.2 48.3 -67.4 -38.5 23.4 20.6 135.6 27 28 A M H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.890 114.0 48.2 -69.6 -37.8 23.9 21.1 139.3 28 29 A H H ><5S+ 0 0 69 -4,-2.7 3,-3.0 -5,-0.3 -2,-0.2 0.960 108.2 54.5 -62.8 -50.4 25.9 17.9 139.5 29 30 A R H 3<5S+ 0 0 131 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.2 51.5 -49.7 -40.1 27.9 18.9 136.4 30 31 A E T 3<5S- 0 0 28 -4,-1.7 -27,-2.0 -5,-0.1 -26,-0.5 0.273 127.7-100.2 -83.6 8.6 28.8 22.1 138.3 31 32 A G T < 5 + 0 0 32 -3,-3.0 -26,-0.8 1,-0.2 -25,-0.3 0.679 67.4 150.8 86.5 19.7 29.9 20.1 141.3 32 33 A A < - 0 0 3 -5,-2.6 2,-0.5 -28,-0.2 -1,-0.2 -0.632 48.2-123.0 -85.9 143.6 27.0 20.2 143.8 33 34 A E E -a 7 0A 94 -27,-2.6 -25,-2.4 -30,-0.3 2,-0.2 -0.768 40.0-151.6 -80.9 123.9 26.5 17.3 146.1 34 35 A L E -a 8 0A 5 -2,-0.5 2,-0.3 20,-0.5 24,-0.3 -0.606 23.8-176.2-105.5 164.1 22.9 16.1 145.5 35 36 A A E -a 9 0A 0 -27,-1.3 -25,-3.0 -2,-0.2 2,-0.3 -0.972 15.2-155.6-149.4 142.2 20.1 14.4 147.3 36 37 A F E -ac 10 59A 0 22,-3.0 24,-2.9 -2,-0.3 2,-0.3 -0.855 6.9-157.4-126.5 159.9 16.8 13.3 145.9 37 38 A T E - c 0 60A 7 -27,-1.5 -24,-0.4 -2,-0.3 2,-0.3 -0.831 7.4-154.4-125.5 165.3 13.2 12.6 147.1 38 39 A Y E - c 0 61A 20 22,-1.6 24,-2.5 -2,-0.3 6,-0.1 -0.995 19.0-134.1-142.3 140.3 10.4 10.5 145.6 39 40 A Q S S- 0 0 117 -2,-0.3 2,-0.3 22,-0.2 -1,-0.1 0.910 80.8 -13.5 -59.1 -46.0 6.7 10.8 146.0 40 41 A N S >> S- 0 0 60 21,-0.1 3,-1.9 1,-0.1 4,-0.5 -0.928 73.7 -86.7-151.7 176.3 6.1 7.1 146.6 41 42 A D G >4 S+ 0 0 128 1,-0.3 3,-1.7 -2,-0.3 4,-0.3 0.871 112.3 72.0 -54.9 -42.7 7.4 3.5 146.5 42 43 A K G 34 S+ 0 0 173 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.693 109.8 35.6 -48.5 -17.9 6.3 3.0 142.8 43 44 A L G <> S+ 0 0 39 -3,-1.9 4,-2.3 2,-0.1 -1,-0.3 0.479 91.2 96.3-115.6 -7.4 9.2 5.4 142.0 44 45 A K H XX S+ 0 0 85 -3,-1.7 3,-2.5 -4,-0.5 4,-1.8 0.929 84.8 40.5 -49.2 -92.1 11.9 4.6 144.6 45 46 A G H 3> S+ 0 0 18 1,-0.3 4,-1.3 -4,-0.3 -1,-0.2 0.753 116.9 53.8 -23.3 -51.4 14.3 2.1 142.9 46 47 A R H 3> S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.892 110.3 44.5 -58.3 -43.3 14.0 4.2 139.8 47 48 A V H S+ 0 0 0 -4,-1.7 5,-3.8 1,-0.2 -1,-0.2 0.863 103.1 54.2 -62.8 -38.7 20.9 9.5 142.1 52 53 A A H ><5S+ 0 0 69 -4,-1.4 3,-1.6 -3,-0.2 -1,-0.2 0.899 105.7 55.2 -63.0 -38.9 23.8 7.0 141.7 53 54 A Q H 3<5S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.910 107.2 48.7 -59.8 -42.1 24.6 8.6 138.4 54 55 A L T 3<5S- 0 0 17 -4,-1.6 -20,-0.5 2,-0.2 -1,-0.3 0.061 125.6-100.8 -90.2 28.9 24.9 12.0 140.0 55 56 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.694 84.6 126.5 62.6 24.7 27.2 10.7 142.7 56 57 A S < + 0 0 5 -5,-3.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.932 36.8 172.5-121.1 131.8 24.3 10.5 145.2 57 58 A D + 0 0 149 -2,-0.4 2,-0.8 -23,-0.2 -22,-0.1 -0.037 55.3 108.8-119.4 31.0 23.0 7.7 147.4 58 59 A I + 0 0 16 -24,-0.3 -22,-3.0 -7,-0.1 2,-0.5 -0.862 37.9 157.4-107.2 93.5 20.7 10.0 149.3 59 60 A V E -c 36 0A 23 -2,-0.8 2,-0.4 -24,-0.2 -22,-0.2 -0.939 14.9-179.6-124.5 108.1 17.2 9.0 148.2 60 61 A L E -c 37 0A 25 -24,-2.9 -22,-1.6 -2,-0.5 2,-0.2 -0.856 25.7-123.9-115.3 143.6 14.4 9.8 150.5 61 62 A Q E +c 38 0A 67 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.574 37.7 161.6 -81.0 141.4 10.6 9.3 150.4 62 63 A C - 0 0 7 -24,-2.5 2,-0.6 -2,-0.2 8,-0.1 -0.807 25.9-167.8-165.2 121.0 8.4 12.4 150.8 63 64 A D > - 0 0 53 -2,-0.3 3,-1.6 3,-0.2 7,-0.3 -0.957 15.4-154.0-106.8 117.5 4.8 13.2 150.0 64 65 A V T 3 S+ 0 0 8 -2,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.619 86.9 75.1 -71.0 -9.9 4.3 17.0 150.3 65 66 A A T 3 S+ 0 0 33 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.662 94.9 62.2 -72.5 -11.1 0.6 16.6 151.1 66 67 A E <> - 0 0 116 -3,-1.6 4,-1.9 1,-0.1 -3,-0.2 -0.963 63.5-160.5-122.5 121.1 1.7 15.5 154.6 67 68 A D H > S+ 0 0 73 -2,-0.5 4,-3.1 1,-0.2 5,-0.3 0.918 98.1 55.7 -59.4 -45.3 3.6 17.6 157.1 68 69 A A H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.886 106.9 49.9 -56.5 -40.3 4.6 14.4 158.9 69 70 A S H > S+ 0 0 18 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.892 111.3 48.8 -66.2 -38.5 6.1 13.0 155.7 70 71 A I H X S+ 0 0 2 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.953 113.9 45.4 -66.4 -47.7 8.1 16.2 155.1 71 72 A D H X S+ 0 0 90 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.919 111.9 51.9 -63.2 -41.4 9.4 16.2 158.7 72 73 A T H X S+ 0 0 84 -4,-2.6 4,-1.9 -5,-0.3 3,-0.3 0.910 109.9 49.4 -61.4 -41.7 10.3 12.5 158.6 73 74 A M H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.899 109.9 49.7 -66.3 -39.9 12.2 13.0 155.3 74 75 A F H X S+ 0 0 8 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.698 106.6 58.4 -72.5 -16.0 14.2 15.9 156.6 75 76 A A H X S+ 0 0 60 -4,-1.2 4,-0.8 -3,-0.3 -2,-0.2 0.943 110.1 41.6 -74.4 -50.2 15.0 13.8 159.7 76 77 A E H >X S+ 0 0 88 -4,-1.9 3,-3.8 1,-0.2 4,-0.8 0.994 114.2 51.4 -55.9 -64.2 16.6 11.1 157.6 77 78 A L H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 3,-0.5 0.831 103.3 62.0 -41.8 -38.4 18.3 13.8 155.4 78 79 A G H 3< S+ 0 0 24 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.774 92.4 65.2 -63.0 -24.5 19.6 15.3 158.6 79 80 A K H << S+ 0 0 156 -3,-3.8 -1,-0.2 -4,-0.8 -2,-0.2 0.913 118.7 21.7 -64.6 -42.4 21.5 12.1 159.4 80 81 A V H << S+ 0 0 72 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.664 135.7 37.8 -98.3 -19.8 23.8 12.5 156.4 81 82 A W < + 0 0 2 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 -0.603 55.7 172.7-131.9 74.3 23.4 16.3 156.0 82 83 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.805 84.3 15.6 -52.5 -24.5 23.1 18.1 159.3 83 84 A K S S+ 0 0 95 -3,-0.1 2,-0.3 -5,-0.0 51,-0.2 -0.942 74.0 166.5-142.2 157.8 23.2 21.3 157.2 84 85 A F B -g 134 0B 0 49,-1.8 51,-2.1 -2,-0.3 -76,-0.2 -0.931 37.9-109.1-160.4-178.6 22.7 21.9 153.5 85 86 A D - 0 0 14 -78,-3.1 54,-2.0 1,-0.3 2,-0.2 0.097 67.2 -64.8-118.8 28.2 22.2 24.8 151.0 86 87 A G - 0 0 0 52,-0.2 -77,-1.9 -79,-0.2 2,-0.3 -0.668 46.2-108.9 125.6-178.9 18.7 24.7 149.7 87 88 A F E -b 9 0A 0 52,-0.5 54,-2.2 -79,-0.2 2,-0.6 -0.974 15.2-119.7-151.3 162.2 16.4 22.7 147.6 88 89 A V E -bd 10 141A 0 -79,-2.8 -77,-2.0 -2,-0.3 2,-1.0 -0.925 21.4-155.8-109.1 116.6 14.7 22.5 144.2 89 90 A H E + d 0 142A 0 52,-4.5 54,-0.7 -2,-0.6 2,-0.1 -0.816 26.6 159.7 -93.4 101.8 10.9 22.4 144.5 90 91 A S + 0 0 23 -2,-1.0 2,-0.4 52,-0.2 -70,-0.2 -0.439 27.4 127.6-121.8 59.9 9.8 20.8 141.2 91 92 A I + 0 0 35 28,-0.1 2,-0.3 27,-0.1 52,-0.2 -0.929 25.0 164.3-118.9 135.6 6.3 19.6 142.2 92 93 A G + 0 0 51 -2,-0.4 2,-0.3 -80,-0.0 23,-0.1 -0.976 5.5 147.9-153.4 137.1 3.0 20.2 140.5 93 94 A F + 0 0 107 -2,-0.3 26,-0.4 22,-0.3 25,-0.2 -0.948 14.7 164.4-171.7 150.1 -0.5 18.8 140.5 94 95 A A - 0 0 11 -2,-0.3 5,-0.1 24,-0.1 17,-0.1 -0.954 54.8 -80.9-158.1 146.7 -4.3 19.2 140.2 95 96 A P >> - 0 0 23 0, 0.0 3,-2.3 0, 0.0 4,-0.5 -0.320 44.7-117.6 -55.5 131.7 -7.0 16.5 139.8 96 97 A G G >4 S+ 0 0 62 1,-0.3 3,-1.6 2,-0.2 -3,-0.0 0.840 112.9 62.1 -35.4 -53.2 -7.2 15.5 136.1 97 98 A D G >4 S+ 0 0 111 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.839 94.1 65.5 -45.0 -40.6 -10.8 16.8 135.9 98 99 A Q G <4 S+ 0 0 0 -3,-2.3 59,-0.5 1,-0.2 2,-0.5 0.759 90.3 63.7 -59.0 -29.9 -9.6 20.3 136.6 99 100 A L G << S+ 0 0 52 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 -0.210 89.6 61.0 -98.6 47.9 -7.4 20.9 133.5 100 101 A D S < S+ 0 0 115 -3,-0.6 55,-0.0 -2,-0.5 54,-0.0 -0.937 84.5 9.8-166.1 141.2 -9.7 20.8 130.5 101 102 A G S S- 0 0 44 -2,-0.3 53,-0.3 4,-0.0 5,-0.1 -0.154 107.3 -5.7 80.4 177.0 -12.6 22.7 129.1 102 103 A D > - 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