==== 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 07-NOV-06 2NTJ . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.WANG,J.C.SACCHETTINI . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 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 . 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 . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 0 0 1 2 0 2 6 0 1 0 2 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 1 5 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 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 A 0 0 133 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -14.1 18.1 9.4 23.8 2 3 A G > - 0 0 30 28,-0.1 3,-2.2 29,-0.0 29,-0.1 0.181 360.0 -48.2-112.8-154.7 16.4 6.0 24.1 3 4 A L T 3 S+ 0 0 22 1,-0.3 244,-0.4 243,-0.1 245,-0.1 0.615 126.6 27.5 -47.4 -26.0 14.4 2.9 23.1 4 5 A L T > S+ 0 0 1 27,-2.1 3,-2.0 24,-0.1 -1,-0.3 -0.000 80.5 165.2-141.5 18.5 11.5 4.8 21.6 5 6 A D T < S+ 0 0 85 -3,-2.2 28,-0.2 1,-0.3 27,-0.1 -0.176 73.5 3.9 -47.7 128.3 13.0 8.1 20.4 6 7 A G T 3 S+ 0 0 63 26,-1.0 2,-0.3 1,-0.2 -1,-0.3 0.523 94.6 142.6 73.3 4.5 10.8 10.0 18.0 7 8 A K < - 0 0 29 -3,-2.0 27,-3.1 25,-0.2 2,-0.7 -0.638 43.0-149.2 -87.3 135.2 8.0 7.5 18.4 8 9 A R E +a 34 0A 75 -2,-0.3 80,-2.6 25,-0.2 81,-1.9 -0.895 28.5 175.5-101.0 107.4 4.3 8.8 18.4 9 10 A I E -ab 35 89A 1 25,-2.3 27,-1.7 -2,-0.7 2,-0.5 -0.925 26.5-146.9-124.7 137.0 2.3 6.4 20.6 10 11 A L E -ab 36 90A 0 79,-3.0 81,-3.0 -2,-0.4 2,-0.5 -0.901 16.7-168.2 -99.9 128.1 -1.2 6.3 21.8 11 12 A V E -ab 37 91A 0 25,-2.6 27,-1.9 -2,-0.5 2,-0.2 -0.962 6.3-178.1-115.3 127.1 -1.8 4.7 25.2 12 13 A S E +a 38 0A 0 79,-2.2 27,-0.2 -2,-0.5 25,-0.0 -0.644 51.6 53.6-108.8 173.7 -5.3 3.8 26.5 13 14 A G + 0 0 23 25,-0.5 2,-0.6 1,-0.3 8,-0.4 0.500 56.7 146.0 87.6 2.4 -6.5 2.4 29.8 14 15 A I + 0 0 4 24,-0.7 26,-0.3 7,-0.2 -1,-0.3 -0.664 4.2 148.9 -73.2 121.1 -5.1 4.7 32.4 15 16 A I + 0 0 69 -2,-0.6 2,-0.2 1,-0.4 -1,-0.2 0.689 66.8 0.5-115.4 -40.2 -7.5 5.1 35.3 16 17 A T S > S- 0 0 18 33,-0.1 3,-1.4 34,-0.0 -1,-0.4 -0.808 83.0 -90.8-132.6-178.1 -5.3 5.6 38.4 17 18 A D T 3 S+ 0 0 101 1,-0.3 -3,-0.0 -2,-0.2 178,-0.0 0.548 126.3 54.4 -71.7 -6.2 -1.6 5.9 39.2 18 19 A S T 3 S+ 0 0 33 4,-0.1 -1,-0.3 5,-0.0 216,-0.0 0.468 77.6 114.9-107.7 0.8 -1.6 2.1 39.7 19 20 A S S <> S- 0 0 11 -3,-1.4 4,-1.1 1,-0.1 3,-0.4 -0.384 73.4-128.7 -57.0 139.9 -3.2 1.2 36.3 20 21 A I H > S+ 0 0 23 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.899 111.1 61.9 -63.9 -29.6 -0.6 -0.8 34.3 21 22 A A H > S+ 0 0 0 -8,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.914 96.1 60.9 -57.3 -37.4 -1.3 1.7 31.5 22 23 A F H > S+ 0 0 18 -3,-0.4 4,-2.2 -6,-0.3 -1,-0.2 0.894 108.5 40.6 -57.8 -42.4 -0.0 4.4 33.8 23 24 A H H X S+ 0 0 38 -4,-1.1 4,-2.3 -3,-0.4 -1,-0.2 0.742 110.3 57.6 -76.9 -30.2 3.4 2.7 34.0 24 25 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.955 111.8 44.7 -57.5 -50.6 3.5 1.8 30.3 25 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.934 111.2 51.0 -61.9 -48.0 3.1 5.5 29.7 26 27 A R H X S+ 0 0 53 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.933 114.5 44.8 -54.9 -46.6 5.6 6.6 32.3 27 28 A V H X S+ 0 0 4 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.911 109.9 54.3 -68.2 -41.9 8.2 4.2 30.8 28 29 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 3,-0.3 0.909 110.3 46.8 -58.2 -43.7 7.4 5.2 27.2 29 30 A Q H ><5S+ 0 0 21 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.934 108.4 53.9 -67.3 -44.4 8.0 8.9 28.0 30 31 A E H 3<5S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 108.6 54.3 -56.7 -23.8 11.2 8.2 29.9 31 32 A Q T 3<5S- 0 0 39 -4,-1.2 -27,-2.1 -3,-0.3 -1,-0.3 0.338 127.7 -95.1 -99.0 7.6 12.2 6.4 26.7 32 33 A G T < 5S+ 0 0 31 -3,-2.1 -26,-1.0 1,-0.3 -3,-0.2 0.424 74.8 143.1 102.9 2.3 11.6 9.4 24.3 33 34 A A < - 0 0 11 -5,-2.4 2,-0.5 -28,-0.2 -1,-0.3 -0.453 44.0-141.4 -74.7 146.0 8.1 8.6 23.1 34 35 A Q E -a 8 0A 79 -27,-3.1 -25,-2.3 -30,-0.2 2,-0.2 -0.962 31.8-152.5-105.7 123.8 5.5 11.4 22.5 35 36 A L E -a 9 0A 2 -2,-0.5 2,-0.4 21,-0.2 -25,-0.2 -0.558 27.9-163.8-105.7 156.0 2.1 10.2 23.7 36 37 A V E -a 10 0A 0 -27,-1.7 -25,-2.6 -2,-0.2 2,-0.3 -0.992 27.1-150.2-123.5 134.2 -1.6 10.6 23.2 37 38 A L E -ac 11 59A 2 21,-2.9 23,-2.9 -2,-0.4 2,-0.4 -0.791 8.5-159.1-106.7 152.0 -3.7 9.3 26.0 38 39 A T E -ac 12 60A 5 -27,-1.9 -24,-0.7 -2,-0.3 -25,-0.5 -0.986 11.7-178.9-126.0 133.6 -7.2 7.9 26.0 39 40 A G E - c 0 61A 2 21,-2.4 23,-2.5 -2,-0.4 4,-0.1 -0.935 16.6-143.7-132.8 159.5 -9.4 7.7 29.0 40 41 A F - 0 0 109 -2,-0.3 3,-0.2 -26,-0.3 -1,-0.2 0.937 65.0 -30.4 -95.0 -78.8 -12.9 6.3 29.6 41 42 A D S S+ 0 0 96 1,-0.2 2,-1.2 21,-0.1 3,-0.2 0.806 117.5 62.8-126.1 -23.6 -15.4 8.0 31.9 42 43 A R > + 0 0 168 1,-0.2 4,-2.7 2,-0.1 -1,-0.2 -0.646 57.9 161.8 -96.6 75.9 -13.8 9.8 34.8 43 44 A L H > S+ 0 0 56 -2,-1.2 4,-3.3 2,-0.2 -1,-0.2 0.905 71.4 54.8 -68.6 -39.2 -11.9 12.3 32.7 44 45 A R H > S+ 0 0 226 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 111.0 47.7 -59.8 -42.7 -11.4 14.7 35.6 45 46 A L H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.972 113.1 47.0 -55.3 -57.1 -9.8 11.8 37.5 46 47 A I H X S+ 0 0 1 -4,-2.7 4,-3.5 1,-0.2 5,-0.2 0.872 109.1 56.9 -58.0 -37.6 -7.6 10.8 34.5 47 48 A Q H X S+ 0 0 83 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.971 111.4 39.4 -56.5 -55.4 -6.6 14.4 34.0 48 49 A R H < S+ 0 0 152 -4,-2.3 4,-0.2 2,-0.2 -2,-0.2 0.888 119.1 48.5 -67.0 -36.3 -5.2 14.8 37.5 49 50 A I H >< S+ 0 0 20 -4,-2.8 3,-2.1 -5,-0.2 4,-0.2 0.971 112.7 46.6 -62.6 -54.2 -3.6 11.3 37.4 50 51 A T H >< S+ 0 0 8 -4,-3.5 3,-1.5 1,-0.3 -2,-0.2 0.749 97.1 72.7 -68.6 -20.7 -2.1 11.9 34.0 51 52 A D T 3< S+ 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.647 88.9 63.8 -61.0 -13.4 -0.7 15.3 35.0 52 53 A R T < S+ 0 0 177 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.621 77.5 110.1 -90.4 -5.2 1.8 13.4 37.2 53 54 A L S < S- 0 0 11 -3,-1.5 -27,-0.1 -4,-0.2 4,-0.0 -0.293 87.6-104.7 -62.2 151.0 3.5 11.7 34.2 54 55 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.679 102.8 22.9 -53.3 -26.1 7.0 13.0 33.3 55 56 A A S S- 0 0 42 2,-0.0 2,-0.1 0, 0.0 -2,-0.1 -0.980 90.3 -99.3-142.1 151.8 5.8 15.0 30.3 56 57 A K + 0 0 200 -2,-0.3 -21,-0.2 -4,-0.1 -5,-0.1 -0.433 40.1 178.8 -70.6 140.3 2.4 16.5 29.3 57 58 A A - 0 0 19 -2,-0.1 -21,-0.2 -23,-0.1 -4,-0.1 -0.995 32.8-105.0-142.6 141.4 0.3 14.5 26.8 58 59 A P - 0 0 50 0, 0.0 -21,-2.9 0, 0.0 2,-0.5 -0.394 32.2-141.1 -72.0 155.5 -3.1 15.3 25.4 59 60 A L E -c 37 0A 39 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.966 15.9-168.3-123.8 128.0 -6.0 13.3 26.7 60 61 A L E -c 38 0A 19 -23,-2.9 -21,-2.4 -2,-0.5 2,-0.3 -0.865 23.0-117.5-117.0 144.2 -8.8 12.1 24.6 61 62 A E E +c 39 0A 85 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.622 37.9 166.0 -78.1 135.6 -12.2 10.6 25.5 62 63 A L - 0 0 7 -23,-2.5 2,-0.7 -2,-0.3 -21,-0.1 -0.687 19.8-178.4-155.5 102.0 -12.8 7.1 24.4 63 64 A D > - 0 0 35 -2,-0.2 3,-2.3 1,-0.1 6,-0.2 -0.890 23.5-149.2 -86.0 118.4 -15.6 4.8 25.5 64 65 A V T 3 S+ 0 0 10 -2,-0.7 -1,-0.1 1,-0.3 64,-0.1 0.698 96.4 57.7 -70.4 -16.6 -14.8 1.6 23.6 65 66 A Q T 3 S+ 0 0 61 1,-0.1 2,-0.9 4,-0.0 -1,-0.3 0.428 86.7 97.9 -87.4 -0.4 -18.5 0.8 23.5 66 67 A N X> - 0 0 49 -3,-2.3 4,-1.6 1,-0.2 3,-0.6 -0.788 58.2-163.2-100.4 104.0 -19.2 4.1 21.9 67 68 A E H 3> S+ 0 0 133 -2,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.779 91.8 49.6 -45.4 -37.4 -19.6 3.9 18.1 68 69 A E H 3> S+ 0 0 147 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.841 103.6 56.6 -79.8 -33.9 -19.1 7.6 17.7 69 70 A H H <> S+ 0 0 29 -3,-0.6 4,-0.7 -6,-0.2 -1,-0.2 0.857 112.0 45.6 -60.6 -36.5 -16.0 7.9 19.8 70 71 A L H >X S+ 0 0 15 -4,-1.6 3,-0.6 2,-0.2 4,-0.6 0.927 108.6 53.3 -74.4 -49.8 -14.4 5.3 17.5 71 72 A A H 3< S+ 0 0 89 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.863 118.3 38.7 -48.3 -42.5 -15.6 7.0 14.3 72 73 A S H 3X S+ 0 0 46 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.574 91.8 92.1 -88.9 -10.1 -14.0 10.2 15.5 73 74 A L H S+ 0 0 49 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.949 113.1 48.2 -53.7 -52.2 -9.6 12.6 13.4 76 77 A R H X S+ 0 0 57 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.839 112.1 49.1 -61.4 -34.9 -9.1 13.5 17.1 77 78 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.931 109.7 51.2 -68.7 -47.1 -5.7 11.9 17.2 78 79 A T H X S+ 0 0 34 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.914 108.0 52.5 -57.0 -45.8 -4.5 13.6 14.1 79 80 A E H < S+ 0 0 169 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.961 112.4 47.7 -49.5 -53.3 -5.6 17.0 15.5 80 81 A A H < S+ 0 0 35 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 119.6 34.6 -61.1 -38.3 -3.6 16.2 18.6 81 82 A I H < S- 0 0 14 -4,-2.4 -1,-0.2 4,-0.1 -2,-0.2 0.615 122.3 -89.9 -97.9 -8.5 -0.3 15.1 16.9 82 83 A G >< - 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0 0 17 -2,-0.3 18,-0.1 24,-0.1 5,-0.1 -0.988 36.9-115.3-131.1 131.7 -16.2 -7.8 33.4 98 99 A P > - 0 0 14 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.164 35.8 -99.3 -56.1 163.5 -19.4 -7.0 35.4 99 100 A Q G > S+ 0 0 152 1,-0.3 3,-0.9 2,-0.2 6,-0.4 0.742 121.5 60.1 -55.7 -32.9 -19.7 -8.3 38.9 100 101 A T G 3 S+ 0 0 38 1,-0.2 -1,-0.3 4,-0.1 9,-0.1 0.671 102.6 56.3 -70.3 -14.7 -21.8 -11.3 38.0 101 102 A G G < S+ 0 0 0 -3,-1.9 58,-1.8 8,-0.1 59,-0.6 0.508 107.8 45.0 -97.1 -5.5 -19.0 -12.5 35.8 102 103 A M S X S- 0 0 17 -3,-0.9 3,-0.7 -4,-0.3 2,-0.4 -0.966 96.6 -2.2-138.1 153.0 -16.2 -12.6 38.4 103 104 A G T 3 S- 0 0 8 53,-3.4 53,-0.4 -2,-0.3 104,-0.1 -0.593 115.4 -0.6 85.7-127.1 -15.5 -13.8 41.9 104 105 A I T 3 S+ 0 0 107 102,-1.6 -1,-0.2 -2,-0.4 103,-0.1 0.758 98.8 100.4 -79.4 -34.3 -18.1 -15.4 44.1 105 106 A N S < S- 0 0 46 -3,-0.7 5,-0.1 -6,-0.4 51,-0.1 -0.365 90.8-100.6 -56.0 127.2 -21.1 -15.3 41.8 106 107 A P >> - 0 0 68 0, 0.0 3,-2.7 0, 0.0 4,-0.6 -0.269 23.6-119.2 -58.4 136.0 -21.3 -18.9 40.4 107 108 A F G >4 S+ 0 0 84 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.854 114.1 51.8 -31.4 -55.8 -19.9 -19.3 36.8 108 109 A F G 34 S+ 0 0 187 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.571 99.5 64.4 -63.1 -15.8 -23.3 -20.5 35.5 109 110 A D G <4 + 0 0 98 -3,-2.7 -1,-0.2 -9,-0.1 -2,-0.2 0.532 67.7 114.0 -95.1 -9.6 -25.2 -17.4 36.9 110 111 A A << - 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0 0 24 -3,-2.1 -42,-0.0 1,-0.1 -41,-0.0 -0.986 60.4-155.8-131.4 139.0 -1.6 -18.7 11.4 536 268 B L 0 0 147 1,-0.4 -1,-0.1 -2,-0.4 -43,-0.1 0.830 360.0 360.0 -80.0 -36.8 -3.0 -22.0 10.0 537 269 B L 0 0 140 -44,-0.1 -1,-0.4 -3,-0.1 -44,-0.0 -0.901 360.0 360.0-169.3 360.0 -2.6 -20.3 6.6