==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-FEB-12 4DTI . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.POJER,R.C.HARTKOORN,S.BOY,S.T.COLE . 267 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.4 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 0.4 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 . 19 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 0 1 3 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 1 2 1 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 . 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 1 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 3 A G > 0 0 63 0, 0.0 3,-1.6 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 150.2 -7.9 -56.1 22.2 2 4 A L T 3 + 0 0 65 1,-0.3 244,-0.4 243,-0.0 29,-0.1 0.787 360.0 31.4 -57.8 -31.7 -4.5 -54.8 23.4 3 5 A L T > S+ 0 0 0 27,-2.0 3,-2.2 24,-0.2 -1,-0.3 -0.010 81.6 162.9-119.9 28.7 -6.2 -51.7 24.9 4 6 A D T < S+ 0 0 104 -3,-1.6 28,-0.2 1,-0.3 27,-0.1 -0.232 73.6 3.4 -54.5 126.2 -9.6 -53.1 26.0 5 7 A G T 3 S+ 0 0 61 26,-1.4 -1,-0.3 1,-0.3 2,-0.3 0.387 96.1 133.1 80.6 -4.1 -11.2 -50.8 28.5 6 8 A K < - 0 0 29 -3,-2.2 27,-2.8 25,-0.1 2,-0.5 -0.601 49.5-142.7 -82.1 141.2 -8.6 -48.1 28.4 7 9 A R E -a 33 0A 62 -2,-0.3 80,-3.5 78,-0.2 81,-1.6 -0.928 27.2-177.8-101.6 122.2 -9.5 -44.5 28.1 8 10 A I E -ab 34 88A 1 25,-2.3 27,-2.0 -2,-0.5 2,-0.5 -0.975 22.8-147.5-133.7 128.2 -7.0 -42.6 25.9 9 11 A L E -ab 35 89A 0 79,-2.3 81,-2.4 -2,-0.4 2,-0.5 -0.798 17.5-166.4 -90.9 129.4 -6.7 -39.0 24.8 10 12 A V E -ab 36 90A 0 25,-2.7 27,-1.9 -2,-0.5 3,-0.3 -0.948 6.3-177.6-124.0 113.3 -5.2 -38.5 21.3 11 13 A S + 0 0 0 79,-2.3 27,-0.1 -2,-0.5 82,-0.0 -0.506 53.0 53.6 -91.4 168.6 -4.0 -35.1 20.1 12 14 A G + 0 0 25 25,-0.4 2,-0.5 1,-0.3 8,-0.4 0.511 56.1 142.6 92.3 8.7 -2.6 -34.1 16.7 13 15 A I + 0 0 5 24,-0.7 26,-0.4 -3,-0.3 -1,-0.3 -0.713 7.2 141.0 -80.1 127.4 -5.1 -35.3 14.1 14 16 A I + 0 0 64 1,-0.5 2,-0.3 -2,-0.5 -1,-0.2 0.510 68.7 11.8-132.2 -35.1 -5.3 -32.7 11.2 15 17 A T S > S- 0 0 28 33,-0.1 3,-1.3 34,-0.0 -1,-0.5 -0.848 81.4-100.9-131.6 174.6 -5.6 -34.9 8.0 16 18 A D T 3 S+ 0 0 107 -2,-0.3 -3,-0.0 1,-0.2 6,-0.0 0.534 123.2 57.2 -73.9 -3.7 -6.3 -38.5 7.3 17 19 A S T 3 S+ 0 0 32 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.458 78.6 120.7-102.5 -1.9 -2.6 -38.9 6.7 18 20 A S S X> S- 0 0 9 -3,-1.3 4,-1.3 1,-0.1 3,-0.7 -0.338 70.2-130.2 -54.4 137.7 -1.7 -37.6 10.2 19 21 A I H 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.913 110.9 58.6 -54.3 -38.8 0.3 -40.2 12.3 20 22 A A H 3> S+ 0 0 1 -8,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.784 96.8 59.9 -64.9 -29.8 -2.2 -39.5 15.1 21 23 A F H <> S+ 0 0 19 -3,-0.7 4,-2.8 -9,-0.2 -1,-0.2 0.949 109.5 42.7 -59.8 -46.5 -5.1 -40.5 12.8 22 24 A H H X S+ 0 0 39 -4,-1.3 4,-2.7 -3,-0.2 5,-0.2 0.863 111.6 53.8 -70.4 -36.4 -3.5 -44.0 12.5 23 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.956 112.0 46.1 -56.3 -51.7 -2.7 -44.1 16.2 24 26 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 113.4 48.7 -58.1 -50.1 -6.4 -43.4 16.9 25 27 A R H X S+ 0 0 52 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.962 114.4 44.2 -54.7 -56.2 -7.6 -46.0 14.4 26 28 A V H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.902 112.2 53.1 -57.7 -43.1 -5.3 -48.7 15.7 27 29 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.2 -1,-0.2 0.903 111.0 46.5 -61.4 -42.2 -6.2 -47.9 19.3 28 30 A Q H ><5S+ 0 0 21 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.876 108.0 55.6 -66.4 -37.1 -9.9 -48.2 18.6 29 31 A E H 3<5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.4 53.4 -62.2 -27.5 -9.3 -51.4 16.7 30 32 A Q T 3<5S- 0 0 66 -4,-1.5 -27,-2.0 -5,-0.2 -1,-0.3 0.219 127.9 -95.3 -95.8 12.9 -7.7 -52.6 20.0 31 33 A G T < 5S+ 0 0 31 -3,-1.7 -26,-1.4 1,-0.3 -3,-0.2 0.504 73.4 145.2 96.8 5.0 -10.7 -51.7 22.2 32 34 A A < - 0 0 10 -5,-2.4 2,-0.6 -28,-0.2 -1,-0.3 -0.481 44.5-137.6 -77.9 147.3 -9.7 -48.2 23.5 33 35 A Q E -a 7 0A 90 -27,-2.8 -25,-2.3 -30,-0.2 2,-0.3 -0.929 31.6-150.3-102.9 119.8 -12.2 -45.5 24.1 34 36 A L E -a 8 0A 5 -2,-0.6 2,-0.4 21,-0.3 -25,-0.2 -0.633 26.5-169.2-102.1 149.1 -10.9 -42.2 22.8 35 37 A V E -a 9 0A 2 -27,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.997 25.4-154.1-118.8 130.9 -11.1 -38.5 23.4 36 38 A L E -ac 10 58A 1 21,-3.2 23,-2.7 -2,-0.4 2,-0.4 -0.759 8.2-159.5-103.8 148.3 -9.6 -36.4 20.7 37 39 A T E - c 0 59A 4 -27,-1.9 -24,-0.7 -2,-0.3 -25,-0.4 -0.988 12.9-171.4-121.8 145.7 -8.2 -33.0 20.8 38 40 A G E - c 0 60A 3 21,-2.2 23,-2.8 -2,-0.4 2,-0.5 -0.945 17.3-127.7-135.5 153.8 -7.8 -30.8 17.7 39 41 A F - 0 0 115 -26,-0.4 2,-2.7 -2,-0.3 23,-0.1 -0.901 65.9 -45.5-109.4 123.4 -6.2 -27.5 16.9 40 42 A D S S+ 0 0 100 -2,-0.5 2,-1.4 1,-0.1 3,-0.2 -0.296 122.0 67.5 70.4 -63.2 -7.9 -24.5 15.2 41 43 A R > + 0 0 150 -2,-2.7 4,-2.3 1,-0.2 5,-0.2 -0.530 55.5 156.7 -94.8 70.9 -9.8 -26.3 12.4 42 44 A L H > + 0 0 43 -2,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.834 69.5 55.5 -68.2 -33.9 -12.3 -28.2 14.4 43 45 A R H > S+ 0 0 231 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 111.6 44.8 -65.9 -45.3 -14.9 -28.6 11.6 44 46 A L H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.924 112.9 50.8 -58.4 -48.1 -12.3 -30.2 9.4 45 47 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.926 108.7 51.5 -62.1 -44.0 -11.0 -32.4 12.2 46 48 A Q H X S+ 0 0 73 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.927 109.7 49.9 -54.2 -48.2 -14.5 -33.6 13.0 47 49 A R H < S+ 0 0 136 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.884 113.8 46.2 -60.5 -39.6 -15.1 -34.5 9.3 48 50 A I H >< S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.939 112.1 49.0 -66.6 -47.9 -11.8 -36.4 9.2 49 51 A T H >< S+ 0 0 2 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.683 90.9 79.0 -74.8 -14.3 -12.4 -38.3 12.5 50 52 A D T 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.775 88.2 62.0 -55.6 -27.0 -15.9 -39.3 11.4 51 53 A R T < S+ 0 0 169 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.531 80.1 108.8 -79.1 -12.6 -14.0 -41.9 9.4 52 54 A L S < S- 0 0 10 -3,-1.9 -27,-0.1 -4,-0.1 4,-0.0 -0.310 86.9-106.9 -59.5 152.0 -12.5 -43.6 12.6 53 55 A P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.790 101.5 22.2 -51.6 -33.3 -13.9 -47.1 13.5 54 56 A A S S- 0 0 52 -5,-0.1 -2,-0.1 -29,-0.0 2,-0.1 -0.943 90.5 -96.6-136.6 158.5 -15.8 -45.5 16.4 55 57 A K - 0 0 140 -2,-0.3 -21,-0.3 -4,-0.1 -5,-0.1 -0.408 41.2-178.7 -68.8 146.6 -17.2 -42.1 17.4 56 58 A A - 0 0 9 -2,-0.1 -21,-0.2 -23,-0.1 2,-0.1 -0.974 30.7-107.3-148.9 136.1 -15.1 -40.1 19.8 57 59 A P - 0 0 57 0, 0.0 -21,-3.2 0, 0.0 2,-0.5 -0.388 30.8-144.8 -63.5 139.1 -15.6 -36.6 21.4 58 60 A L E -c 36 0A 30 -23,-0.2 2,-0.4 -2,-0.1 -21,-0.2 -0.943 15.8-172.4-109.6 124.4 -13.5 -33.9 19.9 59 61 A L E -c 37 0A 24 -23,-2.7 -21,-2.2 -2,-0.5 2,-0.3 -0.909 26.2-115.8-115.7 140.0 -12.2 -31.1 22.2 60 62 A E E +c 38 0A 83 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.578 36.6 172.8 -78.1 134.5 -10.3 -28.0 21.1 61 63 A L + 0 0 4 -23,-2.8 2,-0.7 -2,-0.3 -24,-0.0 -0.848 18.2 178.9-149.1 106.3 -6.7 -27.6 22.3 62 64 A D > - 0 0 39 -2,-0.3 3,-2.4 3,-0.1 7,-0.2 -0.951 22.2-152.5 -98.9 110.2 -4.3 -24.9 21.2 63 65 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 6,-0.0 0.672 93.8 58.4 -63.1 -16.8 -1.3 -25.9 23.2 64 66 A Q T 3 S+ 0 0 69 1,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.478 87.8 91.8 -86.6 -3.2 -0.1 -22.2 23.2 65 67 A N <> - 0 0 41 -3,-2.4 4,-1.8 1,-0.2 3,-0.3 -0.835 60.6-162.0-102.0 108.6 -3.4 -21.2 24.8 66 68 A E H > S+ 0 0 125 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.840 91.5 52.6 -54.6 -40.6 -3.2 -21.0 28.7 67 69 A E H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 105.8 53.0 -64.5 -42.0 -7.1 -21.1 29.0 68 70 A H H > S+ 0 0 34 -3,-0.3 4,-0.9 -6,-0.2 -1,-0.2 0.902 114.0 43.9 -58.5 -43.0 -7.4 -24.2 26.8 69 71 A L H X S+ 0 0 17 -4,-1.8 4,-0.5 -7,-0.2 3,-0.3 0.900 111.1 53.6 -69.5 -42.5 -4.9 -26.0 29.1 70 72 A A H < S+ 0 0 91 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.835 117.2 37.6 -59.7 -35.9 -6.5 -24.7 32.3 71 73 A S H X S+ 0 0 49 -4,-2.1 4,-2.3 1,-0.1 3,-0.4 0.620 92.6 95.9 -91.2 -13.3 -9.9 -26.0 31.3 72 74 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 -3,-0.3 5,-0.2 0.834 81.7 46.6 -51.6 -52.3 -8.6 -29.2 29.6 73 75 A A H X S+ 0 0 22 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.885 113.4 49.8 -61.8 -40.5 -9.0 -31.7 32.5 74 76 A G H > S+ 0 0 51 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.920 111.6 48.8 -62.9 -44.7 -12.5 -30.5 33.3 75 77 A R H X S+ 0 0 57 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.871 112.9 47.3 -62.9 -40.6 -13.6 -30.8 29.6 76 78 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.935 110.3 51.9 -64.6 -48.0 -12.1 -34.3 29.4 77 79 A T H X S+ 0 0 38 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.920 109.9 50.6 -55.6 -43.2 -13.8 -35.4 32.6 78 80 A E H < S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 111.8 47.5 -57.6 -43.4 -17.1 -34.1 31.2 79 81 A A H < S+ 0 0 40 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.829 121.2 34.9 -71.3 -33.2 -16.5 -36.1 28.0 80 82 A I H < S- 0 0 11 -4,-2.4 -1,-0.2 4,-0.1 -2,-0.2 0.513 120.6-102.3 -99.2 -7.7 -15.6 -39.4 29.7 81 83 A G >< - 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0 0 12 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.944 37.0-113.6-142.9 127.1 8.2 -25.1 13.3 97 99 A P > - 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.147 36.0-108.6 -51.3 153.4 7.7 -21.9 11.2 98 100 A Q G > S+ 0 0 137 1,-0.3 3,-0.9 2,-0.2 6,-0.4 0.699 116.7 69.0 -70.3 -14.4 9.3 -22.2 7.8 99 101 A T G 3 S+ 0 0 41 1,-0.2 -1,-0.3 4,-0.1 9,-0.1 0.765 101.4 50.4 -65.6 -23.7 12.1 -19.8 8.6 100 102 A G G < S+ 0 0 0 -3,-2.1 58,-2.0 13,-0.1 59,-0.6 0.380 112.0 49.5 -94.3 1.1 13.3 -22.7 10.9 101 103 A M S X S+ 0 0 18 -3,-0.9 3,-0.6 -4,-0.2 2,-0.3 -0.989 96.1 2.3-139.0 145.8 13.1 -25.5 8.4 102 104 A G T 3 S- 0 0 7 53,-3.6 53,-0.3 -2,-0.3 104,-0.1 -0.604 113.4 -9.5 95.4-140.2 14.4 -26.0 4.8 103 105 A I T 3 S+ 0 0 96 102,-1.9 -1,-0.2 -2,-0.3 103,-0.1 0.682 98.5 105.6 -78.7 -21.1 16.4 -23.8 2.5 104 106 A N S < S- 0 0 49 -3,-0.6 5,-0.1 -6,-0.4 51,-0.1 -0.464 90.3-102.1 -56.5 121.9 16.2 -20.8 4.8 105 107 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.184 22.9-121.3 -54.1 142.3 19.7 -20.7 6.2 106 108 A F G > S+ 0 0 78 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.876 112.6 53.2 -48.1 -44.1 20.0 -22.1 9.7 107 109 A F G 3 S+ 0 0 182 1,-0.2 -1,-0.3 3,-0.0 -7,-0.0 0.582 99.5 65.5 -71.8 -12.0 21.4 -18.8 11.1 108 110 A D G < + 0 0 100 -3,-1.9 -1,-0.2 -9,-0.1 -2,-0.2 0.441 67.7 109.1 -95.6 0.5 18.5 -16.8 9.6 109 111 A A < - 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