==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-09 3GR6 . COMPND 2 MOLECULE: ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH]; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.PRIYADARSHI,K.Y.HWANG . 1029 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 782 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 13.5 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 . 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 . 75 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 0 1 0 1 4 14 4 0 0 4 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 11 4 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 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 L 0 0 128 0, 0.0 2,-0.2 0, 0.0 234,-0.2 0.000 360.0 360.0 360.0-165.8 -8.8 45.4 -37.4 2 3 A N + 0 0 23 232,-0.1 2,-0.2 233,-0.1 229,-0.0 -0.969 360.0 110.8 169.2 82.6 -6.1 45.4 -35.4 3 4 A L - 0 0 61 -2,-0.2 3,-0.2 1,-0.1 27,-0.1 -0.756 43.1 -49.0-159.2-167.4 -4.0 48.0 -33.6 4 5 A E S S+ 0 0 96 -2,-0.2 28,-0.2 1,-0.2 -1,-0.1 0.017 82.4 73.5 -80.1-170.8 -2.1 50.3 -31.1 5 6 A N S S+ 0 0 156 26,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.614 83.3 110.8 69.1 -1.9 -3.5 52.2 -28.2 6 7 A K - 0 0 51 -3,-0.2 27,-2.6 25,-0.2 2,-0.4 -0.839 53.8-157.1-106.6 152.9 -3.8 48.7 -26.6 7 8 A T E -a 33 0A 13 -2,-0.3 80,-3.1 25,-0.2 81,-1.0 -0.998 10.9-174.3-130.2 123.5 -1.8 47.4 -23.6 8 9 A Y E -ab 34 88A 8 25,-2.2 27,-2.7 -2,-0.4 2,-0.6 -0.950 18.5-143.4-120.5 135.3 -1.2 43.6 -23.0 9 10 A V E -ab 35 89A 0 79,-2.4 81,-2.4 -2,-0.4 2,-0.5 -0.939 19.1-162.4 -95.7 123.9 0.4 41.9 -20.0 10 11 A I E -ab 36 90A 0 25,-2.7 27,-2.1 -2,-0.6 2,-0.5 -0.932 5.8-168.4-108.8 117.8 2.3 38.8 -21.2 11 12 A M E +ab 37 91A 0 79,-3.5 81,-2.3 -2,-0.5 27,-0.1 -0.927 55.9 40.6-118.8 128.2 3.2 36.2 -18.6 12 13 A G + 0 0 21 25,-1.2 2,-0.5 -2,-0.5 8,-0.5 0.757 58.0 151.3 114.8 37.9 5.6 33.3 -19.1 13 14 A I + 0 0 6 24,-0.9 -1,-0.2 -3,-0.3 34,-0.2 -0.870 2.1 153.7 -94.8 127.3 8.7 34.3 -21.1 14 15 A A - 0 0 21 -2,-0.5 2,-0.2 1,-0.4 32,-0.2 0.637 64.6 -21.6-108.9 -39.8 11.9 32.3 -20.4 15 16 A N S > S- 0 0 17 31,-0.1 3,-2.0 32,-0.0 -1,-0.4 -0.910 85.1 -61.5-163.4 179.6 13.9 32.5 -23.7 16 17 A K T 3 S+ 0 0 127 1,-0.3 178,-0.0 -2,-0.2 -3,-0.0 0.710 129.0 46.8 -55.5 -15.8 13.9 33.1 -27.4 17 18 A R T 3 S+ 0 0 107 4,-0.1 -1,-0.3 205,-0.0 205,-0.1 0.414 74.6 127.3-116.4 9.5 11.6 30.1 -27.9 18 19 A S X> - 0 0 10 -3,-2.0 3,-1.4 1,-0.1 4,-1.1 -0.375 66.6-125.8 -53.2 133.3 9.0 30.6 -25.2 19 20 A I H >> S+ 0 0 29 1,-0.3 4,-1.3 2,-0.2 3,-1.2 0.911 111.4 56.7 -51.0 -42.1 5.5 30.3 -26.8 20 21 A A H 3> S+ 0 0 0 -8,-0.5 4,-2.7 1,-0.3 -1,-0.3 0.627 96.4 63.1 -71.0 -18.2 4.7 33.8 -25.2 21 22 A F H <> S+ 0 0 16 -3,-1.4 4,-2.8 2,-0.2 -1,-0.3 0.847 101.0 51.5 -72.3 -35.9 7.7 35.2 -27.0 22 23 A G H S+ 0 0 5 -4,-3.0 5,-1.8 1,-0.2 -1,-0.2 0.780 109.8 57.8 -62.0 -37.7 1.5 41.8 -30.8 28 29 A D H ><5S+ 0 0 9 -4,-2.9 3,-1.4 -5,-0.3 -1,-0.2 0.931 106.4 49.5 -59.3 -45.0 4.6 44.0 -30.9 29 30 A Q H 3<5S+ 0 0 122 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.688 104.4 60.0 -64.0 -25.6 4.2 44.2 -34.7 30 31 A L T 3<5S- 0 0 20 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.363 121.6-104.2 -91.5 1.4 0.5 45.1 -34.3 31 32 A G T < 5 + 0 0 35 -3,-1.4 -26,-0.5 1,-0.3 -3,-0.2 0.366 69.2 145.9 101.4 -0.8 1.3 48.2 -32.3 32 33 A A < - 0 0 5 -5,-1.8 2,-0.5 -28,-0.2 -1,-0.3 -0.293 50.2-123.3 -69.2 152.4 0.5 47.1 -28.8 33 34 A K E -a 7 0A 84 -27,-2.6 -25,-2.2 22,-0.1 2,-0.5 -0.861 33.4-149.0 -91.8 132.4 2.4 48.2 -25.7 34 35 A L E -a 8 0A 0 -2,-0.5 2,-0.4 -27,-0.2 25,-0.4 -0.885 16.2-167.3-115.3 128.2 3.6 45.1 -23.9 35 36 A V E -a 9 0A 0 -27,-2.7 -25,-2.7 -2,-0.5 2,-0.4 -0.967 18.7-155.3-106.8 135.2 4.1 44.6 -20.2 36 37 A F E -ac 10 61A 0 24,-2.7 26,-2.9 23,-1.0 2,-0.3 -0.897 9.9-163.6-120.5 144.0 6.1 41.5 -19.3 37 38 A T E +ac 11 62A 2 -27,-2.1 -25,-1.2 -2,-0.4 -24,-0.9 -0.876 12.1 170.7-124.2 154.2 6.2 39.3 -16.2 38 39 A Y E - c 0 63A 18 24,-1.5 26,-2.5 -2,-0.3 -24,-0.1 -0.961 27.0-154.2-153.4 156.6 8.8 36.7 -15.1 39 40 A R S S+ 0 0 93 -2,-0.3 2,-0.2 24,-0.2 -1,-0.1 0.794 76.6 59.3-103.8 -58.1 9.7 34.6 -12.1 40 41 A K S >> S- 0 0 106 1,-0.1 4,-1.8 23,-0.0 3,-0.5 -0.542 72.4-135.4 -78.7 139.0 13.4 33.8 -12.4 41 42 A E H 3> S+ 0 0 113 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.864 110.4 62.5 -46.6 -39.8 16.1 36.5 -12.6 42 43 A R H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 103.3 46.6 -53.4 -48.8 17.5 34.4 -15.4 43 44 A S H <> S+ 0 0 9 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.848 107.8 55.4 -69.0 -38.9 14.3 35.0 -17.4 44 45 A R H X S+ 0 0 70 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.904 109.3 48.6 -56.0 -43.1 14.3 38.8 -16.8 45 46 A K H X S+ 0 0 115 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.826 110.0 49.5 -72.5 -34.5 17.7 38.9 -18.2 46 47 A E H X S+ 0 0 66 -4,-1.8 4,-1.9 -32,-0.2 -2,-0.2 0.862 110.8 53.7 -59.6 -44.6 16.6 36.9 -21.2 47 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.851 103.4 55.8 -53.0 -43.1 13.7 39.4 -21.5 48 49 A E H < S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.3 40.2 -64.2 -41.1 16.0 42.5 -21.5 49 50 A K H >< S+ 0 0 131 -4,-1.0 3,-1.3 2,-0.1 -1,-0.2 0.841 112.5 55.7 -72.3 -39.5 18.0 41.3 -24.5 50 51 A L H 3< S+ 0 0 23 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.901 86.9 82.4 -64.5 -37.3 14.9 40.0 -26.3 51 52 A L T 3< + 0 0 18 -4,-2.2 2,-0.8 -5,-0.1 -1,-0.2 0.640 57.0 105.1 -42.7 -19.0 13.3 43.4 -26.1 52 53 A E < + 0 0 147 -3,-1.3 2,-0.1 -4,-0.1 -1,-0.1 -0.844 60.8 93.5 -85.6 96.2 15.3 44.5 -29.1 53 54 A Q S S- 0 0 50 -2,-0.8 -2,-0.1 2,-0.1 -28,-0.0 -0.251 104.3 -71.5 70.8 172.2 12.2 44.3 -30.8 54 55 A L S S+ 0 0 117 -2,-0.1 -2,-0.1 -29,-0.1 -3,-0.1 0.824 91.3 108.5-104.5 -35.5 9.9 47.5 -31.2 55 56 A N - 0 0 15 1,-0.1 -2,-0.1 -4,-0.1 -22,-0.1 -0.234 61.3-147.6 -44.1 121.2 8.6 48.2 -27.7 56 57 A Q + 0 0 152 -4,-0.0 2,-0.3 3,-0.0 -1,-0.1 0.606 63.4 31.1 -83.0 -18.7 10.5 51.4 -26.5 57 58 A P S S- 0 0 46 0, 0.0 2,-0.7 0, 0.0 0, 0.0 -0.760 106.8 -44.5-141.1-160.5 10.7 50.7 -22.8 58 59 A E - 0 0 135 1,-0.6 -7,-0.1 -2,-0.3 3,-0.1 -0.501 53.9-131.2 -74.6 -13.6 10.9 48.7 -20.5 59 60 A A - 0 0 0 -2,-0.7 -23,-1.0 -25,-0.4 -1,-0.6 0.234 48.0 -95.8 -63.9 94.5 9.0 47.0 -21.6 60 61 A H - 0 0 30 -25,-0.2 -24,-2.7 1,-0.2 2,-0.5 0.731 48.6-161.1 45.4 78.3 7.8 47.3 -18.2 61 62 A L E -c 36 0A 19 -26,-0.2 2,-0.4 -3,-0.1 -24,-0.2 -0.921 9.6-174.2-102.5 120.6 9.3 44.1 -16.7 62 63 A Y E -c 37 0A 27 -26,-2.9 -24,-1.5 -2,-0.5 2,-0.6 -0.954 24.6-130.0-119.1 127.7 7.6 42.9 -13.4 63 64 A Q E +c 38 0A 100 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.640 38.9 163.7 -70.8 115.8 8.7 40.1 -11.1 64 65 A I - 0 0 5 -26,-2.5 2,-0.7 -2,-0.6 8,-0.1 -0.942 23.2-170.6-139.4 113.2 5.6 37.9 -10.5 65 66 A D > - 0 0 38 -2,-0.4 3,-2.2 3,-0.1 7,-0.2 -0.928 19.8-147.6 -96.6 113.6 5.7 34.3 -9.0 66 67 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.1 1,-0.3 60,-0.1 0.567 89.2 78.1 -66.7 -3.8 2.1 33.1 -9.4 67 68 A Q T 3 S+ 0 0 74 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.708 85.5 67.0 -72.8 -21.1 2.6 31.1 -6.3 68 69 A S <> - 0 0 37 -3,-2.2 4,-1.9 1,-0.2 5,-0.2 -0.904 63.2-159.3-110.5 118.4 2.1 34.1 -4.1 69 70 A D H > S+ 0 0 51 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.912 98.0 57.9 -39.7 -47.4 -1.2 35.9 -3.8 70 71 A E H > S+ 0 0 118 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.901 105.4 45.4 -63.1 -48.4 0.9 38.8 -2.6 71 72 A E H > S+ 0 0 60 -6,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.788 113.3 48.8 -68.9 -32.5 3.1 39.1 -5.7 72 73 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 -7,-0.2 -2,-0.2 0.907 116.5 43.6 -74.3 -37.8 0.3 38.8 -8.2 73 74 A I H X S+ 0 0 57 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.969 119.5 41.6 -64.7 -56.8 -1.7 41.5 -6.3 74 75 A N H X S+ 0 0 71 -4,-3.2 4,-1.9 -5,-0.2 -3,-0.2 0.859 113.9 53.7 -61.3 -36.8 1.2 43.8 -5.8 75 76 A G H X S+ 0 0 9 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.937 111.3 44.3 -61.6 -47.5 2.6 43.2 -9.3 76 77 A F H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.774 110.7 53.6 -68.8 -30.2 -0.7 44.1 -11.0 77 78 A E H X S+ 0 0 113 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.915 111.7 47.2 -66.2 -42.8 -1.3 47.2 -8.8 78 79 A Q H X S+ 0 0 88 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.830 109.1 52.0 -69.7 -34.4 2.1 48.3 -9.9 79 80 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.5 0.926 111.5 50.3 -64.9 -41.8 1.4 47.6 -13.5 80 81 A G H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 3,-0.4 0.981 112.3 44.3 -55.2 -62.4 -1.7 49.7 -13.0 81 82 A K H < S+ 0 0 147 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 118.1 45.4 -54.4 -40.9 0.1 52.6 -11.4 82 83 A D H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.780 131.0 10.8 -75.8 -36.6 2.9 52.5 -14.0 83 84 A V H < S- 0 0 24 -4,-2.4 -3,-0.2 -3,-0.4 -2,-0.2 0.348 100.3-122.3-126.1 -0.9 1.1 52.1 -17.5 84 85 A G < - 0 0 34 -4,-2.4 -1,-0.3 -5,-0.5 -2,-0.1 -0.419 59.7 -16.3 89.8-159.3 -2.5 52.8 -16.6 85 86 A N S S- 0 0 94 -2,-0.1 2,-0.2 -4,-0.1 50,-0.2 -0.197 70.8-131.7 -85.7 177.6 -5.3 50.4 -17.2 86 87 A I - 0 0 4 48,-4.7 -78,-0.2 45,-0.2 52,-0.1 -0.727 18.2-148.9-132.5 168.0 -5.1 47.4 -19.7 87 88 A D S S- 0 0 48 -80,-3.1 53,-1.4 1,-0.3 2,-0.3 0.512 73.9 -21.3-118.4 -14.1 -6.7 45.5 -22.6 88 89 A G E -bd 8 140A 0 -81,-1.0 -79,-2.4 51,-0.2 2,-0.4 -0.968 45.3-126.1 177.6 171.3 -5.6 41.9 -21.9 89 90 A V E -bd 9 141A 0 51,-1.3 53,-2.1 -2,-0.3 2,-0.5 -0.992 9.7-156.7-132.1 130.9 -3.4 39.2 -20.5 90 91 A Y E -bd 10 142A 0 -81,-2.4 -79,-3.5 -2,-0.4 2,-0.5 -0.985 17.2-161.0-103.4 118.0 -1.7 36.4 -22.2 91 92 A H E +bd 11 143A 1 51,-3.2 53,-1.0 -2,-0.5 -79,-0.2 -0.895 25.7 157.7-109.2 118.1 -0.9 33.5 -19.7 92 93 A S + 0 0 28 -81,-2.3 2,-0.5 -2,-0.5 -72,-0.1 -0.512 32.2 127.4-133.6 53.9 1.8 30.9 -20.6 93 94 A I + 0 0 30 27,-0.1 2,-0.3 51,-0.1 51,-0.1 -0.976 20.9 147.4-117.9 130.2 2.7 29.6 -17.1 94 95 A A + 0 0 37 -2,-0.5 2,-0.3 2,-0.0 26,-0.1 -0.971 13.8 178.0-152.7 151.2 2.8 25.9 -16.1 95 96 A F + 0 0 76 21,-0.4 25,-0.3 -2,-0.3 2,-0.3 -0.976 8.5 164.3-150.5 148.2 4.8 23.7 -13.8 96 97 A A - 0 0 10 -2,-0.3 2,-0.1 23,-0.1 17,-0.1 -0.952 44.8 -98.5-148.6 151.5 5.1 20.2 -12.6 97 98 A N > - 0 0 50 15,-0.3 4,-1.3 -2,-0.3 3,-0.1 -0.464 29.4-131.9 -65.9 142.1 7.8 18.3 -10.7 98 99 A M H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.908 104.6 63.3 -64.7 -44.1 9.9 16.2 -13.1 99 100 A E H >> S+ 0 0 130 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.909 105.6 48.9 -43.2 -45.1 9.7 13.1 -10.9 100 101 A D H 34 S+ 0 0 13 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.920 107.2 50.7 -65.0 -49.5 5.9 13.2 -11.5 101 102 A L H 3< S+ 0 0 17 -4,-1.3 100,-0.5 1,-0.1 -1,-0.3 0.389 115.6 45.3 -70.6 -2.9 6.0 13.5 -15.3 102 103 A R H << S+ 0 0 166 -3,-1.0 -2,-0.2 -4,-0.7 -1,-0.1 0.991 106.9 72.0 -78.8 -76.8 8.4 10.6 -15.6 103 104 A G S < S- 0 0 25 -4,-0.6 2,-0.4 1,-0.2 -3,-0.1 0.739 96.7 -73.9 109.8 120.0 6.9 8.7 -13.6 104 105 A R >> - 0 0 81 1,-0.1 3,-1.9 53,-0.1 4,-0.6 -0.640 36.8-131.8 -83.6 128.0 3.7 6.6 -13.3 105 106 A F G >4 S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.894 104.1 57.2 -48.7 -45.8 0.4 8.6 -12.8 106 107 A S G 34 S+ 0 0 3 1,-0.3 -1,-0.3 327,-0.2 284,-0.2 0.666 102.3 57.5 -61.7 -14.9 -0.8 6.4 -9.9 107 108 A E G <4 S+ 0 0 119 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.524 74.9 132.8 -90.9 -11.7 2.4 7.1 -7.9 108 109 A T << - 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