==== 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 3FNE . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR F.WANG . 1047 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 773 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 142 13.6 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 . 4 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 . 66 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 138 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 350 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 1 0 0 4 0 4 12 1 0 2 5 0 0 0 0 1 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 2 10 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 . 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 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 91 0, 0.0 4,-0.1 0, 0.0 793,-0.1 0.000 360.0 360.0 360.0-129.2 55.0 -3.1 29.3 2 3 A G > - 0 0 24 2,-0.1 3,-1.8 1,-0.1 29,-0.1 0.632 360.0-124.8 85.0 111.8 51.6 -3.2 27.6 3 4 A L T 3 S+ 0 0 24 1,-0.3 244,-0.4 790,-0.1 29,-0.1 0.792 116.2 35.8 -49.3 -32.4 49.3 -0.3 28.2 4 5 A L T > S+ 0 0 0 27,-1.9 3,-2.6 24,-0.2 -1,-0.3 0.064 83.2 161.8-116.3 20.8 46.8 -2.9 29.3 5 6 A D T < S+ 0 0 108 -3,-1.8 28,-0.2 1,-0.3 27,-0.1 -0.175 73.7 3.3 -46.6 120.5 49.1 -5.3 31.1 6 7 A G T 3 S+ 0 0 54 26,-1.3 -1,-0.3 1,-0.3 2,-0.2 0.355 96.4 135.7 84.8 -5.7 47.1 -7.6 33.4 7 8 A K < - 0 0 29 -3,-2.6 27,-3.6 25,-0.1 2,-0.6 -0.537 46.7-146.7 -82.3 138.7 43.7 -6.2 32.4 8 9 A R E -a 34 0A 55 -2,-0.2 80,-3.2 25,-0.2 81,-1.7 -0.953 26.8-177.2-103.2 122.0 40.7 -8.4 31.8 9 10 A I E -ab 35 89A 0 25,-2.3 27,-2.5 -2,-0.6 2,-0.5 -0.981 24.8-145.8-132.8 129.0 38.5 -6.9 29.1 10 11 A L E -ab 36 90A 0 79,-2.0 81,-2.4 -2,-0.4 2,-0.5 -0.799 19.0-170.9 -86.7 126.8 35.2 -7.8 27.5 11 12 A V E -ab 37 91A 0 25,-2.8 27,-2.0 -2,-0.5 3,-0.2 -0.976 4.0-177.4-125.5 114.6 35.0 -6.8 23.8 12 13 A S E +a 38 0A 2 79,-2.3 27,-0.2 -2,-0.5 25,-0.0 -0.625 53.0 55.9 -98.1 163.4 31.6 -7.1 21.9 13 14 A G + 0 0 24 25,-0.6 2,-0.5 1,-0.3 8,-0.4 0.478 54.1 145.9 98.5 3.8 30.9 -6.4 18.2 14 15 A I + 0 0 5 24,-0.7 26,-0.4 -3,-0.2 -1,-0.3 -0.649 10.5 137.2 -73.2 121.4 33.3 -8.6 16.2 15 16 A I S S+ 0 0 83 1,-0.6 2,-0.3 -2,-0.5 -1,-0.2 0.530 70.7 13.7-126.5 -39.6 31.6 -9.6 12.9 16 17 A T S > S- 0 0 29 33,-0.1 3,-1.3 34,-0.0 -1,-0.6 -0.875 80.0-107.6-128.3 164.6 34.3 -9.2 10.2 17 18 A D T 3 S+ 0 0 94 -2,-0.3 -3,-0.0 1,-0.2 178,-0.0 0.517 123.0 58.9 -72.6 0.2 38.1 -8.7 10.5 18 19 A S T 3 S+ 0 0 28 4,-0.1 -1,-0.2 5,-0.0 5,-0.1 0.580 79.9 117.4 -99.7 -11.3 37.2 -5.1 9.4 19 20 A S S <> S- 0 0 5 -3,-1.3 4,-1.4 1,-0.1 3,-0.4 -0.193 73.9-127.4 -48.9 139.5 34.9 -4.5 12.4 20 21 A I H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 112.0 58.3 -55.7 -41.5 36.1 -1.8 14.7 21 22 A A H > S+ 0 0 0 -8,-0.4 4,-2.2 72,-0.3 -1,-0.2 0.800 100.4 56.4 -58.5 -36.4 35.8 -4.4 17.6 22 23 A F H > S+ 0 0 15 -3,-0.4 4,-2.4 -6,-0.3 -1,-0.2 0.946 111.8 41.4 -56.7 -51.8 38.3 -6.7 15.8 23 24 A H H X S+ 0 0 37 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.828 111.7 54.6 -71.3 -34.8 40.9 -3.9 15.7 24 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.935 111.8 46.7 -59.9 -45.7 40.1 -2.8 19.3 25 26 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.902 109.2 53.0 -63.7 -45.5 40.7 -6.4 20.4 26 27 A R H X S+ 0 0 53 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.940 113.4 43.7 -54.2 -50.0 44.0 -6.8 18.3 27 28 A V H X S+ 0 0 3 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.923 111.0 54.2 -66.6 -43.3 45.5 -3.7 20.0 28 29 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 3,-0.6 0.943 112.2 44.2 -51.7 -51.9 44.3 -4.6 23.5 29 30 A Q H ><5S+ 0 0 21 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.914 109.2 55.8 -61.2 -46.0 46.0 -8.0 23.2 30 31 A E H 3<5S+ 0 0 107 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.752 108.8 50.8 -51.9 -29.8 49.1 -6.4 21.7 31 32 A Q T <<5S- 0 0 40 -4,-1.4 -27,-1.9 -3,-0.6 -1,-0.3 0.137 127.7 -98.2-101.9 14.5 49.1 -4.3 24.9 32 33 A G T < 5S+ 0 0 33 -3,-2.3 -26,-1.3 1,-0.3 -3,-0.2 0.513 70.1 148.3 91.5 7.5 48.8 -7.3 27.2 33 34 A A < - 0 0 9 -5,-2.3 2,-0.6 -28,-0.2 -1,-0.3 -0.480 44.4-134.8 -76.6 146.7 45.1 -7.4 28.0 34 35 A Q E -a 8 0A 87 -27,-3.6 -25,-2.3 -30,-0.2 2,-0.3 -0.921 35.2-150.3-100.4 120.5 43.4 -10.7 28.6 35 36 A L E -a 9 0A 4 -2,-0.6 2,-0.4 21,-0.4 -25,-0.2 -0.670 28.0-166.4-108.7 148.9 40.2 -10.7 26.6 36 37 A V E -a 10 0A 2 -27,-2.5 -25,-2.8 -2,-0.3 2,-0.3 -0.999 23.4-154.1-119.9 131.0 36.7 -12.2 26.6 37 38 A L E -ac 11 59A 1 21,-3.2 23,-3.1 -2,-0.4 2,-0.4 -0.792 7.4-162.6-107.0 139.7 34.8 -11.8 23.3 38 39 A T E -ac 12 60A 4 -27,-2.0 -24,-0.7 -2,-0.3 -25,-0.6 -0.981 10.8-172.7-121.3 140.9 31.1 -11.7 22.7 39 40 A G E - c 0 61A 3 21,-2.4 23,-2.4 -2,-0.4 4,-0.1 -0.941 13.1-145.7-134.5 152.9 29.5 -12.3 19.3 40 41 A F - 0 0 109 -26,-0.4 3,-0.2 -2,-0.3 -1,-0.2 0.976 63.8 -17.5 -91.6 -73.8 26.0 -12.0 18.0 41 42 A D S S+ 0 0 83 1,-0.2 2,-1.5 21,-0.1 3,-0.2 0.923 119.3 44.3-110.5 -58.8 24.5 -14.3 15.4 42 43 A R > + 0 0 145 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.675 63.0 171.3 -94.0 81.5 26.8 -16.4 13.3 43 44 A L H > S+ 0 0 39 -2,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.809 73.4 55.0 -66.9 -33.1 29.0 -17.6 16.0 44 45 A R H > S+ 0 0 213 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.884 112.3 45.2 -66.9 -39.8 30.9 -20.2 13.9 45 46 A L H > S+ 0 0 82 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.883 112.5 50.8 -65.3 -42.7 31.7 -17.4 11.5 46 47 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.935 106.6 55.7 -64.9 -43.5 32.7 -15.1 14.3 47 48 A Q H X S+ 0 0 74 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.871 105.1 50.9 -52.7 -45.4 35.0 -17.7 15.8 48 49 A R H < S+ 0 0 133 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.861 113.3 46.8 -63.7 -33.9 36.9 -18.1 12.5 49 50 A I H >< S+ 0 0 40 -4,-1.5 3,-1.3 -3,-0.2 -2,-0.2 0.897 112.2 48.2 -70.3 -43.9 37.4 -14.3 12.5 50 51 A T H >< S+ 0 0 8 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.763 97.5 71.6 -72.0 -22.2 38.4 -14.2 16.2 51 52 A D T 3< S+ 0 0 94 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.775 88.7 65.4 -56.2 -26.3 40.9 -17.0 15.3 52 53 A R T < S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.537 78.8 104.4 -78.1 -10.4 42.8 -14.2 13.5 53 54 A L S < S- 0 0 12 -3,-1.7 -27,-0.1 -4,-0.1 4,-0.1 -0.398 83.9-117.2 -65.5 149.4 43.5 -12.4 16.7 54 55 A P S S+ 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.615 93.5 31.7 -66.2 -14.5 47.1 -12.7 18.1 55 56 A A S S- 0 0 52 2,-0.0 -2,-0.1 0, 0.0 -26,-0.1 -0.962 92.3 -90.1-139.9 157.5 46.0 -14.5 21.3 56 57 A K + 0 0 213 -2,-0.3 -21,-0.4 -22,-0.0 -5,-0.1 -0.327 43.2 171.2 -59.7 148.3 43.3 -16.9 22.5 57 58 A A - 0 0 15 -23,-0.1 -21,-0.2 -4,-0.1 2,-0.1 -0.887 34.8-116.3-157.2 123.3 40.1 -15.2 23.9 58 59 A P - 0 0 60 0, 0.0 -21,-3.2 0, 0.0 2,-0.5 -0.440 26.4-140.0 -63.9 144.1 36.9 -17.1 24.7 59 60 A L E -c 37 0A 33 -23,-0.2 2,-0.3 -2,-0.1 -21,-0.2 -0.936 18.7-170.9-106.6 126.7 33.9 -16.2 22.6 60 61 A L E -c 38 0A 24 -23,-3.1 -21,-2.4 -2,-0.5 2,-0.5 -0.896 25.6-115.3-115.9 141.6 30.5 -15.9 24.3 61 62 A E E +c 39 0A 87 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.666 37.5 170.5 -76.7 124.9 27.1 -15.5 22.6 62 63 A L + 0 0 12 -23,-2.4 2,-0.8 -2,-0.5 -21,-0.1 -0.844 15.7 178.5-138.4 102.7 25.4 -12.2 23.4 63 64 A D > - 0 0 36 -2,-0.3 3,-2.2 3,-0.1 6,-0.3 -0.925 23.2-151.8 -90.9 111.6 22.3 -11.1 21.5 64 65 A V T 3 S+ 0 0 7 -2,-0.8 -1,-0.1 1,-0.3 64,-0.1 0.578 92.0 57.6 -72.9 -7.5 21.7 -7.9 23.3 65 66 A Q T 3 S+ 0 0 67 1,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.460 87.0 91.7 -90.0 -5.6 17.9 -8.1 22.7 66 67 A N <> - 0 0 47 -3,-2.2 4,-1.6 1,-0.2 3,-0.3 -0.821 61.1-164.5 -94.6 106.1 17.8 -11.5 24.5 67 68 A E H > S+ 0 0 170 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.814 90.3 57.2 -61.6 -27.8 17.1 -10.8 28.2 68 69 A E H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.877 102.3 52.3 -70.7 -40.9 18.2 -14.4 28.9 69 70 A H H > S+ 0 0 34 -3,-0.3 4,-0.9 -6,-0.3 -2,-0.2 0.868 113.8 46.6 -60.3 -35.3 21.7 -13.8 27.3 70 71 A L H X S+ 0 0 29 -4,-1.6 4,-0.5 -7,-0.2 -2,-0.2 0.886 109.0 52.5 -74.8 -40.9 22.0 -10.7 29.6 71 72 A A H < S+ 0 0 87 -4,-2.3 4,-0.3 1,-0.2 3,-0.3 0.923 117.8 37.7 -58.5 -44.9 20.8 -12.5 32.8 72 73 A S H X S+ 0 0 53 -4,-2.0 4,-2.4 1,-0.2 3,-0.3 0.652 94.7 91.6 -82.3 -17.7 23.3 -15.3 32.4 73 74 A L H X S+ 0 0 0 -4,-0.9 4,-2.6 1,-0.2 5,-0.2 0.824 82.0 48.9 -51.7 -50.7 26.2 -13.1 31.1 74 75 A A H X S+ 0 0 21 -4,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.937 115.4 47.9 -60.2 -41.5 28.1 -12.1 34.3 75 76 A G H > S+ 0 0 40 -4,-0.3 4,-2.3 -3,-0.3 -2,-0.2 0.930 112.3 47.4 -59.5 -52.4 28.0 -15.8 35.3 76 77 A R H X S+ 0 0 57 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.834 113.0 49.8 -58.5 -38.2 29.3 -17.0 31.9 77 78 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.927 109.6 49.9 -67.8 -46.3 32.0 -14.3 31.9 78 79 A T H X S+ 0 0 35 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.891 108.1 54.2 -61.8 -39.6 33.2 -15.3 35.4 79 80 A E H < S+ 0 0 165 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.907 111.9 46.2 -51.0 -47.5 33.3 -19.0 34.3 80 81 A A H < S+ 0 0 40 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.5 34.3 -67.8 -42.5 35.6 -17.9 31.4 81 82 A I H < S- 0 0 13 -4,-2.5 -2,-0.2 4,-0.1 -1,-0.2 0.694 120.8 -96.6 -89.3 -21.9 37.9 -15.6 33.4 82 83 A G >< - 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0 0 14 -2,-0.3 18,-0.1 24,-0.1 63,-0.1 -0.948 39.4-109.4-144.4 130.2 19.3 0.2 12.2 98 99 A P > - 0 0 16 0, 0.0 3,-2.4 0, 0.0 4,-0.1 -0.287 33.9-110.8 -51.0 148.0 16.9 -1.4 9.8 99 100 A Q G > S+ 0 0 139 1,-0.3 3,-1.9 2,-0.2 6,-0.4 0.790 117.8 69.9 -43.9 -38.5 17.4 -0.2 6.1 100 101 A T G 3 S+ 0 0 20 1,-0.3 -1,-0.3 4,-0.1 9,-0.1 0.740 97.3 48.7 -56.5 -29.5 14.1 1.5 6.6 101 102 A G G < S+ 0 0 1 -3,-2.4 58,-2.4 8,-0.1 59,-0.5 0.333 113.4 49.8 -95.7 7.9 15.7 4.0 9.0 102 103 A M S X S+ 0 0 10 -3,-1.9 3,-1.4 56,-0.2 2,-0.2 -0.870 90.8 0.1-143.1 167.5 18.7 4.8 6.8 103 104 A G T 3 S- 0 0 5 53,-2.7 53,-0.4 -2,-0.3 55,-0.1 -0.290 119.6 -0.3 64.8-116.9 20.3 5.8 3.5 104 105 A I T 3 S+ 0 0 69 -2,-0.2 -1,-0.2 97,-0.2 3,-0.1 0.740 101.8 102.4 -86.1 -24.2 17.8 6.4 0.6 105 106 A N S < S- 0 0 37 -3,-1.4 5,-0.1 -6,-0.4 51,-0.1 -0.391 86.6-102.0 -60.4 127.5 14.5 5.6 2.5 106 107 A P > - 0 0 64 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.278 25.0-122.9 -51.2 136.9 12.8 8.9 3.4 107 108 A F G > S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 -2,-0.1 0.886 111.3 53.6 -47.1 -45.2 13.2 9.9 7.0 108 109 A F G 3 S+ 0 0 24 1,-0.2 -1,-0.3 292,-0.0 292,-0.1 0.651 98.0 65.2 -69.7 -16.4 9.4 10.0 7.5 109 110 A D G < + 0 0 80 -3,-1.6 -1,-0.2 -9,-0.1 -2,-0.2 0.484 69.3 108.7 -92.7 0.5 8.8 6.4 6.1 110 111 A A < - 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