==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-DEC-08 3FNF . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.WANG . 1035 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 763 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 5 0.5 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 . 68 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 336 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 1 0 4 0 4 12 0 2 0 5 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 1 11 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 PARALLEL BRIDGES PER LADDER . 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 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 T 0 0 97 0, 0.0 30,-0.0 0, 0.0 785,-0.0 0.000 360.0 360.0 360.0-153.0 55.3 -2.5 29.1 2 3 A G > - 0 0 22 2,-0.1 3,-2.0 3,-0.1 29,-0.1 0.718 360.0-143.4 89.8 95.8 51.8 -3.3 28.0 3 4 A L T 3 S+ 0 0 25 1,-0.3 244,-0.4 27,-0.1 29,-0.1 0.848 108.0 32.1 -53.5 -33.4 49.5 -0.3 28.1 4 5 A L T > S+ 0 0 0 27,-2.4 3,-1.6 24,-0.2 -1,-0.3 -0.198 90.4 168.2-117.1 34.7 46.8 -2.7 29.2 5 6 A D T < - 0 0 103 -3,-2.0 28,-0.2 1,-0.3 27,-0.1 -0.340 69.2 -3.8 -60.9 126.8 49.1 -5.0 31.1 6 7 A G T 3 S+ 0 0 38 26,-1.4 -1,-0.3 1,-0.2 2,-0.2 0.349 97.4 137.4 75.7 -4.0 47.3 -7.6 33.3 7 8 A K < - 0 0 30 -3,-1.6 27,-2.7 81,-0.1 2,-0.5 -0.500 47.1-143.5 -79.6 140.2 43.9 -6.0 32.5 8 9 A R E -a 34 0A 51 78,-0.2 80,-3.6 25,-0.2 81,-1.6 -0.933 26.4-177.4-103.4 126.2 40.9 -8.3 31.8 9 10 A I E -ab 35 89A 0 25,-2.6 27,-2.3 -2,-0.5 2,-0.5 -0.981 26.1-144.5-137.5 133.7 38.6 -6.9 29.1 10 11 A L E -ab 36 90A 0 79,-2.3 81,-2.9 -2,-0.4 2,-0.5 -0.805 19.8-168.7 -91.0 122.5 35.3 -7.8 27.4 11 12 A V E -ab 37 91A 0 25,-3.4 27,-1.8 -2,-0.5 2,-0.2 -0.969 6.3-176.5-119.8 116.0 35.1 -6.9 23.7 12 13 A S E +a 38 0A 2 79,-2.1 27,-0.1 -2,-0.5 25,-0.0 -0.668 52.0 50.8 -99.7 159.5 31.7 -7.1 21.9 13 14 A G + 0 0 24 25,-0.7 2,-0.4 1,-0.3 8,-0.4 0.518 56.3 147.9 97.9 9.7 30.9 -6.5 18.3 14 15 A I + 0 0 5 24,-0.7 26,-0.3 -3,-0.2 -1,-0.3 -0.619 7.8 139.7 -74.1 128.1 33.3 -8.6 16.3 15 16 A I S S+ 0 0 90 1,-0.7 2,-0.3 -2,-0.4 -1,-0.2 0.438 70.5 14.3-134.7 -34.1 31.6 -9.7 13.1 16 17 A T S > S- 0 0 33 33,-0.1 3,-1.9 34,-0.0 -1,-0.7 -0.942 78.9-107.1-139.5 164.5 34.4 -9.3 10.5 17 18 A D T 3 S+ 0 0 93 -2,-0.3 -3,-0.0 1,-0.3 178,-0.0 0.441 121.4 57.9 -70.2 -0.3 38.2 -8.8 10.6 18 19 A S T 3 S+ 0 0 26 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.445 79.8 117.2-111.0 2.1 37.3 -5.3 9.5 19 20 A S S X> S- 0 0 5 -3,-1.9 4,-1.4 1,-0.1 3,-0.5 -0.389 74.0-126.8 -61.7 137.4 35.1 -4.5 12.5 20 21 A I H 3> S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.899 113.9 58.3 -48.7 -44.8 36.2 -1.7 14.7 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.3 72,-0.3 -1,-0.2 0.828 99.9 56.8 -57.3 -35.4 35.8 -4.3 17.5 22 23 A F H <> S+ 0 0 14 -3,-0.5 4,-1.7 -6,-0.3 -1,-0.2 0.906 111.0 43.3 -58.7 -42.3 38.3 -6.6 15.8 23 24 A H H X S+ 0 0 33 -4,-1.4 4,-2.1 -3,-0.4 5,-0.2 0.817 110.9 52.9 -80.6 -34.2 40.9 -3.9 15.8 24 25 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.950 110.9 49.5 -58.8 -48.2 40.2 -2.8 19.4 25 26 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.892 111.9 47.4 -57.1 -43.9 40.6 -6.4 20.5 26 27 A R H X S+ 0 0 50 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.900 112.7 46.4 -69.7 -46.1 44.0 -6.8 18.7 27 28 A V H X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.928 113.3 52.0 -64.9 -41.9 45.5 -3.6 19.9 28 29 A A H <>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.2 3,-0.4 0.930 111.0 46.2 -53.0 -50.1 44.3 -4.5 23.4 29 30 A Q H ><5S+ 0 0 19 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.941 110.2 53.6 -63.6 -42.2 46.0 -8.0 23.0 30 31 A E H 3<5S+ 0 0 110 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 107.0 54.7 -56.7 -29.7 49.2 -6.4 21.7 31 32 A Q T 3<5S- 0 0 42 -4,-1.4 -27,-2.4 -3,-0.4 -1,-0.3 0.169 126.4 -95.1 -98.9 18.0 49.1 -4.2 24.8 32 33 A G T < 5S+ 0 0 29 -3,-1.9 -26,-1.4 1,-0.3 -3,-0.2 0.425 75.3 139.5 96.0 2.9 49.0 -7.0 27.3 33 34 A A < - 0 0 10 -5,-2.0 2,-0.4 -28,-0.2 -1,-0.3 -0.512 46.1-137.4 -83.2 148.2 45.3 -7.4 28.1 34 35 A Q E -a 8 0A 104 -27,-2.7 -25,-2.6 -2,-0.2 2,-0.3 -0.904 31.7-150.3-103.5 131.7 43.4 -10.7 28.4 35 36 A L E -a 9 0A 7 -2,-0.4 2,-0.4 21,-0.4 -25,-0.2 -0.744 26.1-161.4-116.4 147.7 40.1 -10.7 26.6 36 37 A V E -a 10 0A 2 -27,-2.3 -25,-3.4 -2,-0.3 2,-0.4 -0.981 25.5-155.0-112.6 135.4 36.7 -12.1 26.7 37 38 A L E -ac 11 59A 2 21,-3.1 23,-3.0 -2,-0.4 2,-0.4 -0.864 7.3-162.6-112.2 142.8 34.8 -11.8 23.4 38 39 A T E -ac 12 60A 5 -27,-1.8 -24,-0.7 -2,-0.4 -25,-0.7 -0.970 8.5-172.2-124.8 144.0 31.1 -11.7 22.8 39 40 A G E - c 0 61A 3 21,-2.1 23,-2.5 -2,-0.4 4,-0.1 -0.985 13.8-146.3-139.5 148.6 29.4 -12.3 19.5 40 41 A F - 0 0 110 -2,-0.3 3,-0.2 -26,-0.3 -1,-0.2 0.993 66.7 -20.0 -82.8 -76.9 25.9 -12.0 18.2 41 42 A D S S+ 0 0 102 1,-0.2 2,-0.9 20,-0.1 3,-0.2 0.854 119.2 49.6-117.6 -42.2 24.5 -14.4 15.6 42 43 A R > + 0 0 95 1,-0.2 4,-2.7 2,-0.1 3,-0.2 -0.590 59.4 162.3-105.8 67.9 26.9 -16.3 13.4 43 44 A L H > S+ 0 0 36 -2,-0.9 4,-3.3 1,-0.2 5,-0.3 0.886 71.7 55.9 -58.3 -45.7 29.2 -17.7 16.2 44 45 A R H > S+ 0 0 162 1,-0.2 4,-1.3 -3,-0.2 -1,-0.2 0.923 114.7 42.6 -51.1 -43.6 30.8 -20.4 14.0 45 46 A L H > S+ 0 0 56 -3,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.909 113.3 50.9 -70.5 -44.1 31.8 -17.6 11.6 46 47 A I H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 3,-0.3 0.885 105.0 56.1 -63.8 -43.2 32.9 -15.2 14.4 47 48 A Q H X S+ 0 0 70 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.907 106.0 52.8 -52.5 -43.1 35.1 -17.8 16.1 48 49 A R H < S+ 0 0 96 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.829 112.1 44.9 -60.9 -35.4 36.9 -18.2 12.7 49 50 A I H >< S+ 0 0 37 -4,-1.2 3,-1.3 -3,-0.3 -2,-0.2 0.893 113.5 48.9 -74.0 -43.2 37.4 -14.4 12.6 50 51 A T H >< S+ 0 0 9 -4,-3.3 3,-1.6 1,-0.3 -2,-0.2 0.741 96.9 69.9 -73.9 -21.9 38.5 -14.3 16.3 51 52 A D T 3< S+ 0 0 89 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.716 91.3 64.9 -56.7 -23.0 41.0 -17.2 15.6 52 53 A R T < S+ 0 0 150 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.2 0.471 78.7 102.8 -87.2 -3.7 42.8 -14.5 13.6 53 54 A L S < S- 0 0 13 -3,-1.6 4,-0.1 2,-0.1 -27,-0.0 -0.503 84.7-117.4 -69.6 150.2 43.6 -12.5 16.7 54 55 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.568 92.2 36.3 -74.3 -7.2 47.2 -12.9 18.0 55 56 A A S S- 0 0 49 2,-0.0 -2,-0.1 0, 0.0 -26,-0.1 -0.972 91.7 -92.0-141.7 154.4 46.1 -14.4 21.3 56 57 A K + 0 0 212 -2,-0.3 -21,-0.4 -22,-0.0 -5,-0.1 -0.324 43.3 169.5 -59.3 141.8 43.5 -16.8 22.7 57 58 A A - 0 0 16 -23,-0.1 -21,-0.2 -4,-0.1 2,-0.1 -0.913 34.5-115.6-153.6 132.5 40.2 -15.3 24.0 58 59 A P - 0 0 58 0, 0.0 -21,-3.1 0, 0.0 2,-0.6 -0.435 25.7-142.0 -70.4 149.0 37.1 -17.1 24.9 59 60 A L E -c 37 0A 35 -23,-0.2 2,-0.3 -2,-0.1 -21,-0.2 -0.940 18.7-176.7-121.7 111.2 34.0 -16.3 22.9 60 61 A L E -c 38 0A 26 -23,-3.0 -21,-2.1 -2,-0.6 2,-0.3 -0.713 28.6-113.2-100.2 149.6 30.6 -16.1 24.5 61 62 A E E +c 39 0A 86 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.685 34.9 177.0 -82.4 138.0 27.2 -15.6 22.7 62 63 A L - 0 0 8 -23,-2.5 2,-0.9 -2,-0.3 -21,-0.1 -0.782 17.3-178.4-147.7 99.1 25.4 -12.3 23.4 63 64 A D > - 0 0 38 -2,-0.3 3,-2.1 1,-0.1 7,-0.3 -0.904 20.1-154.4 -86.0 107.1 22.2 -11.2 21.8 64 65 A V T 3 S+ 0 0 6 -2,-0.9 -1,-0.1 1,-0.3 6,-0.0 0.701 93.0 54.5 -54.8 -24.0 21.8 -7.8 23.4 65 66 A Q T 3 S+ 0 0 65 -3,-0.0 2,-0.6 4,-0.0 -1,-0.3 0.416 89.4 92.4 -91.4 0.3 18.0 -8.1 22.8 66 67 A N <> - 0 0 45 -3,-2.1 4,-1.6 1,-0.1 5,-0.2 -0.860 61.4-159.1-104.6 115.6 17.8 -11.4 24.7 67 68 A E H > S+ 0 0 167 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.854 90.6 55.2 -65.2 -34.2 17.0 -11.1 28.4 68 69 A E H > S+ 0 0 144 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.913 104.8 51.9 -62.6 -47.8 18.4 -14.6 29.2 69 70 A H H > S+ 0 0 33 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.902 113.1 45.7 -55.1 -44.0 21.9 -13.9 27.6 70 71 A L H X S+ 0 0 32 -4,-1.6 4,-0.6 -7,-0.3 -2,-0.2 0.879 112.6 51.0 -67.1 -39.5 22.1 -10.7 29.7 71 72 A A H < S+ 0 0 84 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.944 117.5 38.9 -58.7 -48.1 20.9 -12.6 32.8 72 73 A S H X S+ 0 0 51 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.579 95.3 91.0 -79.7 -11.3 23.6 -15.3 32.3 73 74 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.886 81.4 48.4 -58.2 -55.8 26.3 -13.0 31.1 74 75 A A H X S+ 0 0 23 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.897 116.1 45.5 -54.7 -44.0 28.1 -12.1 34.4 75 76 A G H > S+ 0 0 42 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.928 112.2 49.5 -67.6 -48.2 28.3 -15.8 35.4 76 77 A R H X S+ 0 0 56 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.883 111.9 51.5 -58.4 -35.5 29.5 -17.0 32.0 77 78 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 3,-0.2 0.963 110.6 45.5 -65.8 -49.9 32.1 -14.2 32.1 78 79 A T H X S+ 0 0 36 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.901 107.8 58.6 -63.6 -40.5 33.4 -15.2 35.6 79 80 A E H < S+ 0 0 169 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.908 110.9 44.0 -45.7 -47.3 33.5 -18.9 34.5 80 81 A A H < S+ 0 0 43 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.816 119.1 39.3 -75.6 -33.0 35.8 -17.9 31.7 81 82 A I H < S- 0 0 25 -4,-1.8 -1,-0.2 4,-0.1 -2,-0.2 0.446 118.9-102.9 -96.3 -0.5 38.1 -15.6 33.7 82 83 A G >< - 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0 0 11 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.868 40.4-108.7-152.9 129.1 19.2 -0.0 12.6 98 99 A P > - 0 0 6 0, 0.0 3,-2.8 0, 0.0 4,-0.1 -0.169 31.0-110.2 -53.9 150.2 16.9 -1.5 10.0 99 100 A Q G > S+ 0 0 121 1,-0.3 3,-2.0 2,-0.2 6,-0.3 0.844 118.0 66.8 -45.6 -47.3 17.3 -0.5 6.3 100 101 A T G 3 S+ 0 0 44 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.737 98.9 50.8 -38.0 -34.8 14.0 1.4 6.7 101 102 A G G < S+ 0 0 0 -3,-2.8 58,-2.1 13,-0.1 59,-0.5 0.309 110.5 52.3-101.1 10.1 15.7 3.8 9.1 102 103 A M S X S- 0 0 25 -3,-2.0 3,-1.1 56,-0.2 2,-0.2 -0.901 88.2 -2.0-144.4 161.7 18.6 4.7 6.9 103 104 A G B 3 S-G 156 0B 6 53,-3.2 53,-0.5 -2,-0.3 55,-0.1 -0.342 116.0 -2.7 70.7-121.5 20.0 5.8 3.6 104 105 A I T 3 S+ 0 0 66 -2,-0.2 -1,-0.2 97,-0.2 3,-0.1 0.711 103.6 105.6 -88.9 -23.3 17.8 6.6 0.6 105 106 A N S < S- 0 0 61 -3,-1.1 5,-0.1 -6,-0.3 51,-0.1 -0.378 86.8 -97.6 -59.5 124.9 14.7 5.6 2.5 106 107 A P > - 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.166 23.6-129.4 -55.4 137.5 12.6 8.6 3.5 107 108 A F G > S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 336,-0.1 0.906 107.6 52.8 -52.8 -43.8 13.1 9.7 7.1 108 109 A F G 3 S+ 0 0 23 1,-0.2 -1,-0.3 292,-0.0 292,-0.1 0.653 99.3 64.7 -69.1 -14.7 9.3 9.7 7.7 109 110 A D G < + 0 0 89 -3,-1.4 -1,-0.2 -9,-0.1 -2,-0.2 0.508 68.1 106.9 -95.8 -3.1 8.7 6.2 6.4 110 111 A A S < S- 0 0 0 -3,-1.1 -9,-0.1 -4,-0.4 2,-0.1 -0.645 70.1-134.7 -70.5 112.8 10.7 4.3 9.1 111 112 A P >> - 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