==== 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 16-MAR-07 2P68 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR L.CHEN,L-Q.CHEN,A.EBIHARA,A.SHINKAI,S.KURAMITSU,S.YOKOYAMA,M . 484 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 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 . 0 0.0 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 . 35 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 0 2 0 2 0 1 3 4 0 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 5 2 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 1 A M 0 0 224 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.3 56.8 1.8 64.3 2 2 A E - 0 0 114 2,-0.0 2,-0.6 28,-0.0 28,-0.0 -0.820 360.0-137.3-119.1 153.7 52.9 1.9 64.2 3 3 A I + 0 0 57 -2,-0.3 2,-0.4 227,-0.1 227,-0.0 -0.955 31.7 177.9-107.4 113.8 50.2 2.9 61.8 4 4 A K + 0 0 100 -2,-0.6 27,-0.2 1,-0.1 227,-0.1 -0.968 23.3 174.2-121.9 135.8 47.6 4.8 63.6 5 5 A L > + 0 0 6 25,-2.9 3,-2.3 -2,-0.4 28,-0.4 0.109 28.0 146.9-123.4 20.0 44.5 6.4 62.1 6 6 A Q T 3 S+ 0 0 127 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.320 72.0 25.5 -54.0 134.3 42.8 7.6 65.3 7 7 A G T 3 S+ 0 0 71 24,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.253 100.9 109.9 92.3 -12.3 40.9 10.8 64.7 8 8 A K < - 0 0 65 -3,-2.3 25,-2.5 23,-0.2 2,-0.5 -0.625 59.3-143.4 -92.1 155.1 40.5 10.0 60.9 9 9 A V E -a 33 0A 15 -2,-0.2 78,-2.3 23,-0.2 79,-2.1 -0.993 16.0-168.1-120.6 123.0 37.2 9.1 59.2 10 10 A S E -ab 34 88A 0 23,-2.6 25,-2.5 -2,-0.5 2,-0.5 -0.937 7.4-159.5-113.3 130.2 37.3 6.5 56.4 11 11 A L E -ab 35 89A 0 77,-2.8 79,-2.9 -2,-0.4 2,-0.5 -0.947 9.2-174.7-106.9 127.4 34.5 5.8 54.0 12 12 A V E -ab 36 90A 0 23,-2.4 25,-0.9 -2,-0.5 3,-0.5 -0.962 16.1-143.4-122.6 112.4 34.6 2.4 52.3 13 13 A T S S+ 0 0 1 77,-2.1 79,-0.2 -2,-0.5 25,-0.1 -0.485 80.2 14.1 -79.0 146.7 31.9 1.8 49.7 14 14 A G S S+ 0 0 25 -2,-0.2 6,-0.4 50,-0.2 3,-0.3 0.943 82.0 144.4 59.6 52.3 30.4 -1.6 49.3 15 15 A S + 0 0 0 22,-1.9 23,-0.2 -3,-0.5 -1,-0.1 0.023 32.3 98.1-116.1 24.2 31.8 -2.8 52.6 16 16 A T S S+ 0 0 27 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.584 97.4 2.5 -83.0 -11.6 29.1 -5.1 54.0 17 17 A R S >> S+ 0 0 102 -3,-0.3 4,-1.6 175,-0.0 3,-0.5 -0.969 106.3 7.9-159.9 170.2 31.1 -8.2 52.7 18 18 A G H 3> S- 0 0 16 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 -0.098 117.8 -8.8 58.6-139.4 34.2 -9.5 50.9 19 19 A I H 3> S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.904 134.7 55.6 -62.7 -43.8 37.1 -7.2 50.1 20 20 A G H <> S+ 0 0 1 -3,-0.5 4,-2.3 -6,-0.4 -5,-0.2 0.903 109.0 47.1 -55.7 -45.7 35.2 -4.0 51.1 21 21 A R H X S+ 0 0 45 -4,-1.6 4,-2.7 -7,-0.2 -1,-0.2 0.926 110.8 51.7 -63.1 -44.1 34.5 -5.4 54.6 22 22 A A H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.897 109.8 50.7 -59.5 -40.6 38.1 -6.5 55.0 23 23 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.941 110.9 47.7 -60.4 -50.4 39.2 -3.0 54.1 24 24 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.903 113.2 48.4 -58.1 -43.3 36.9 -1.4 56.6 25 25 A E H X S+ 0 0 25 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.891 110.6 51.3 -64.5 -40.4 38.0 -3.8 59.3 26 26 A K H X S+ 0 0 30 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.933 112.1 45.3 -62.2 -48.2 41.7 -3.1 58.6 27 27 A L H <>S+ 0 0 1 -4,-2.5 5,-2.2 1,-0.2 3,-0.5 0.923 113.7 51.0 -60.5 -43.8 41.2 0.6 58.8 28 28 A A H ><5S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.890 104.5 57.3 -57.8 -41.7 39.2 0.1 62.0 29 29 A S H 3<5S+ 0 0 61 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.5 52.3 -62.1 -29.2 42.0 -2.0 63.4 30 30 A A T 3<5S- 0 0 11 -4,-1.3 -25,-2.9 -3,-0.5 -24,-0.5 0.446 129.4 -98.9 -84.1 -2.4 44.3 1.0 62.9 31 31 A G T < 5S+ 0 0 21 -3,-1.8 -24,-0.5 1,-0.3 -3,-0.2 0.510 71.9 147.8 100.7 6.3 41.9 3.1 64.8 32 32 A S < - 0 0 0 -5,-2.2 -1,-0.3 -26,-0.2 2,-0.3 -0.502 52.8-120.4 -72.6 140.6 39.9 4.9 62.0 33 33 A T E -a 9 0A 21 -25,-2.5 -23,-2.6 -28,-0.4 2,-0.4 -0.629 42.6-150.2 -63.4 138.3 36.3 5.8 62.4 34 34 A V E -ac 10 59A 0 24,-2.0 26,-2.2 -2,-0.3 2,-0.5 -0.956 20.2-155.8-125.3 142.5 34.6 3.8 59.6 35 35 A I E -ac 11 60A 2 -25,-2.5 -23,-2.4 -2,-0.4 2,-0.4 -0.972 16.0-160.2-115.0 123.9 31.6 4.3 57.4 36 36 A I E -ac 12 61A 0 24,-2.8 26,-2.6 -2,-0.5 2,-0.4 -0.798 8.6-171.0-103.0 134.0 30.2 1.1 55.9 37 37 A T E + c 0 62A 0 -25,-0.9 -22,-1.9 -2,-0.4 -21,-0.5 -0.968 13.4 153.1-127.4 149.9 27.9 1.2 52.9 38 38 A G E - c 0 63A 6 24,-1.3 26,-3.1 -2,-0.4 6,-0.1 -0.957 57.7-100.3-155.7 171.8 25.8 -1.4 51.1 39 39 A T S S+ 0 0 100 -2,-0.3 2,-0.6 24,-0.2 26,-0.1 0.718 115.3 60.8 -69.6 -19.5 22.6 -1.6 48.9 40 40 A S > - 0 0 44 1,-0.1 4,-2.5 24,-0.1 5,-0.2 -0.949 68.5-163.8-108.7 114.6 20.9 -2.6 52.2 41 41 A G H > S+ 0 0 6 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.856 92.7 56.5 -59.9 -37.7 21.0 0.0 55.0 42 42 A E H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 110.1 43.6 -60.7 -45.9 20.0 -2.6 57.5 43 43 A R H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.912 112.7 52.6 -67.7 -42.5 23.0 -4.8 56.5 44 44 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.898 112.3 45.3 -57.8 -44.1 25.4 -1.9 56.5 45 45 A K H X S+ 0 0 93 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.868 112.1 51.9 -69.8 -36.5 24.3 -0.9 60.0 46 46 A A H X S+ 0 0 31 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.931 111.9 46.4 -61.9 -45.8 24.5 -4.5 61.2 47 47 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.912 111.0 52.0 -65.2 -43.5 28.1 -4.7 59.8 48 48 A A H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.915 109.0 50.9 -56.5 -46.0 29.1 -1.4 61.3 49 49 A E H X S+ 0 0 128 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.6 48.8 -60.8 -40.8 27.8 -2.6 64.7 50 50 A E H X S+ 0 0 85 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.894 113.2 46.9 -66.6 -41.0 29.9 -5.8 64.4 51 51 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.5 0.920 111.3 51.3 -65.8 -43.3 33.0 -3.8 63.5 52 52 A A H X S+ 0 0 27 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.865 112.6 46.7 -61.2 -37.9 32.4 -1.4 66.3 53 53 A N H < S+ 0 0 124 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 115.4 45.7 -71.4 -37.8 32.1 -4.3 68.8 54 54 A K H < S+ 0 0 138 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.911 130.9 18.4 -71.9 -45.4 35.1 -6.1 67.5 55 55 A Y H < S- 0 0 79 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.549 95.2-124.6-108.0 -13.7 37.5 -3.1 67.3 56 56 A G < + 0 0 67 -4,-1.6 -4,-0.2 -5,-0.5 2,-0.1 0.619 62.0 140.2 79.5 12.6 35.9 -0.5 69.6 57 57 A V - 0 0 22 -6,-0.4 2,-0.4 1,-0.1 -1,-0.2 -0.479 64.2 -98.6 -88.1 159.9 35.8 2.1 66.9 58 58 A K + 0 0 98 -27,-0.2 -24,-2.0 -2,-0.1 2,-0.3 -0.651 53.8 177.1 -68.6 121.6 33.1 4.7 66.0 59 59 A A E -c 34 0A 21 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -1.000 16.4-172.7-137.5 141.8 31.3 3.1 63.0 60 60 A H E -c 35 0A 36 -26,-2.2 -24,-2.8 -2,-0.3 2,-0.4 -0.989 9.8-152.4-133.9 137.3 28.3 4.1 61.0 61 61 A G E -c 36 0A 5 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.923 15.4-179.4-109.9 137.7 26.4 2.2 58.3 62 62 A V E -c 37 0A 0 -26,-2.6 -24,-1.3 -2,-0.4 2,-0.4 -0.981 30.6-117.4-132.4 146.1 24.5 3.9 55.4 63 63 A E E +c 38 0A 94 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.686 40.3 169.4 -76.1 131.6 22.4 2.6 52.6 64 64 A M - 0 0 3 -26,-3.1 2,-0.8 -2,-0.4 -50,-0.2 -0.842 19.4-171.1-148.2 111.3 24.1 3.5 49.3 65 65 A N > - 0 0 57 -2,-0.3 3,-2.4 3,-0.2 7,-0.4 -0.895 11.5-158.2 -99.8 110.5 23.0 2.2 45.9 66 66 A L T 3 S+ 0 0 9 -2,-0.8 -1,-0.1 1,-0.3 56,-0.1 0.548 88.4 70.2 -72.4 -6.1 25.7 3.3 43.5 67 67 A L T 3 S+ 0 0 63 1,-0.1 2,-0.5 51,-0.1 -1,-0.3 0.675 97.1 64.2 -72.6 -18.3 23.2 2.9 40.6 68 68 A S <> - 0 0 43 -3,-2.4 4,-2.3 1,-0.1 -3,-0.2 -0.924 59.3-165.3-119.2 118.0 21.3 5.9 42.0 69 69 A E H > S+ 0 0 85 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.888 99.0 54.4 -55.7 -43.2 22.5 9.5 42.3 70 70 A E H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 107.7 49.2 -59.3 -43.7 19.7 10.1 44.7 71 71 A S H > S+ 0 0 18 -6,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.926 113.3 47.0 -61.5 -47.3 20.8 7.2 46.9 72 72 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 -7,-0.4 -2,-0.2 0.958 114.1 44.5 -60.2 -53.5 24.4 8.5 47.0 73 73 A N H X S+ 0 0 61 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.893 114.4 50.8 -65.0 -35.6 23.6 12.1 47.7 74 74 A K H X S+ 0 0 126 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.886 107.0 53.8 -64.5 -43.2 21.1 11.1 50.4 75 75 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 107.1 52.4 -56.7 -42.0 23.7 8.8 52.0 76 76 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.848 102.2 57.9 -68.6 -31.2 26.1 11.8 52.2 77 77 A E H X S+ 0 0 141 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.923 110.5 44.4 -59.9 -42.4 23.5 13.9 54.0 78 78 A E H >X S+ 0 0 76 -4,-1.7 4,-0.6 2,-0.2 3,-0.5 0.905 113.6 51.3 -66.2 -41.6 23.4 11.2 56.6 79 79 A I H >X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 3,-1.8 0.952 108.0 49.7 -60.3 -50.0 27.2 10.9 56.7 80 80 A Y H 3< S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.622 106.9 56.8 -72.0 -10.0 27.8 14.7 57.1 81 81 A N H << S+ 0 0 137 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.589 114.3 39.7 -86.8 -13.6 25.3 14.7 60.0 82 82 A L H << S+ 0 0 66 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.748 121.3 30.5-106.3 -33.0 27.3 12.0 61.8 83 83 A V S < S- 0 0 9 -4,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.911 73.6-121.0-127.4 157.8 30.9 13.1 61.1 84 84 A D S S- 0 0 157 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.907 84.0 -62.0 -59.2 -41.2 32.7 16.4 60.6 85 85 A G - 0 0 1 -6,-0.1 2,-0.5 44,-0.1 -1,-0.2 -0.970 60.1 -68.3 173.6-171.9 33.8 15.1 57.2 86 86 A I + 0 0 0 41,-0.3 45,-0.5 -2,-0.3 -76,-0.2 -0.886 30.4 172.4-111.5 130.5 35.8 12.4 55.3 87 87 A D S S+ 0 0 4 -78,-2.3 51,-1.6 -2,-0.5 2,-0.4 0.732 75.2 34.4-100.8 -32.5 39.6 12.1 55.5 88 88 A I E -bd 10 138A 0 -79,-2.1 -77,-2.8 49,-0.2 2,-0.4 -0.995 63.7-171.6-132.2 127.9 40.0 8.8 53.6 89 89 A L E -bd 11 139A 0 49,-2.7 51,-3.1 -2,-0.4 2,-0.6 -0.988 4.8-169.6-122.9 127.0 37.8 7.4 50.8 90 90 A V E -bd 12 140A 0 -79,-2.9 -77,-2.1 -2,-0.4 2,-1.7 -0.945 11.3-155.9-114.1 107.7 38.1 3.8 49.5 91 91 A N E + d 0 141A 2 49,-2.1 51,-2.3 -2,-0.6 -79,-0.1 -0.645 41.9 141.0 -81.1 82.4 36.1 3.5 46.2 92 92 A N + 0 0 23 -2,-1.7 -1,-0.2 -79,-0.2 -78,-0.1 0.764 28.3 108.5 -96.3 -32.6 35.6 -0.3 46.6 93 93 A A + 0 0 12 -3,-0.3 2,-0.3 -73,-0.1 -79,-0.1 -0.152 41.3 140.2 -56.5 135.6 32.1 -0.7 45.4 94 94 A G - 0 0 39 -80,-0.1 2,-0.3 25,-0.0 18,-0.1 -0.954 30.5-153.2-170.3 155.9 31.8 -2.4 42.0 95 95 A I - 0 0 39 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.906 6.0-146.6-132.9 160.5 29.7 -4.9 40.0 96 96 A T - 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