==== 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 10-APR-07 2PH3 . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB8; . AUTHOR J.T.SWINDELL II,L.CHEN,J.ZHU,A.EBIHARA,A.SHINKAI,S.KURAMITSU . 482 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20631.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 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 . 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 . 34 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 3 0 0 0 1 1 0 4 2 1 1 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 1 5 3 1 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 90 0, 0.0 225,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-100.9 53.1 3.4 9.7 2 2 A R + 0 0 96 24,-0.1 25,-1.0 26,-0.0 2,-0.3 0.333 360.0 47.3-102.5 -16.9 54.7 0.3 10.7 3 3 A K E +a 27 0A 41 23,-0.2 2,-0.2 2,-0.0 25,-0.2 -0.811 56.1 177.5 -99.7 142.8 58.2 0.5 11.8 4 4 A A E -a 28 0A 0 23,-0.8 25,-2.6 -2,-0.3 2,-0.5 -0.817 21.1-154.3-148.6 146.0 59.8 3.0 14.3 5 5 A L E -ab 29 84A 0 78,-2.1 80,-2.7 -2,-0.2 2,-0.5 -0.946 17.2-171.4-103.7 122.2 63.2 3.7 15.9 6 6 A I E > -ab 30 85A 0 23,-2.2 25,-2.4 -2,-0.5 3,-0.6 -0.975 12.6-145.3-116.0 120.6 62.9 5.5 19.3 7 7 A T T 3 S+ 0 0 1 78,-2.4 80,-0.3 -2,-0.5 25,-0.1 -0.553 80.8 13.0 -81.2 146.2 66.1 6.8 20.8 8 8 A G T > S+ 0 0 19 -2,-0.2 3,-0.6 79,-0.1 6,-0.5 0.890 80.7 149.5 58.7 40.6 66.6 6.8 24.6 9 9 A A T < + 0 0 0 22,-2.2 23,-0.2 -3,-0.6 -1,-0.1 0.233 40.4 90.0 -92.9 12.4 63.5 4.6 25.0 10 10 A S T 3 S+ 0 0 6 21,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.650 96.4 8.6 -84.9 -14.4 64.6 2.7 28.1 11 11 A R S X> S- 0 0 115 -3,-0.6 4,-1.6 31,-0.0 3,-0.9 -0.973 106.5 -4.9-152.9 170.2 63.0 5.1 30.6 12 12 A G H 3> S- 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.100 121.0 -0.2 52.0-130.4 60.7 8.1 31.1 13 13 A I H 3> S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 133.9 52.6 -62.9 -42.1 59.4 9.9 27.9 14 14 A G H <> S+ 0 0 0 -3,-0.9 4,-3.0 -6,-0.5 -5,-0.2 0.930 111.0 47.5 -63.6 -44.6 61.1 7.5 25.5 15 15 A R H X S+ 0 0 79 -4,-1.6 4,-3.2 -7,-0.3 5,-0.2 0.944 112.0 49.5 -58.3 -47.6 59.7 4.5 27.2 16 16 A A H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.884 112.3 48.7 -59.2 -40.5 56.2 6.1 27.3 17 17 A I H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.950 111.9 49.2 -66.1 -50.4 56.5 6.9 23.5 18 18 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.944 114.8 44.0 -47.9 -54.0 57.7 3.3 22.9 19 19 A L H X S+ 0 0 4 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.855 111.7 54.0 -66.9 -34.5 54.7 1.8 24.9 20 20 A R H < S+ 0 0 48 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.914 110.2 44.9 -65.5 -46.3 52.2 4.2 23.3 21 21 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.0 1,-0.2 3,-1.0 0.839 106.1 61.5 -69.5 -29.2 53.2 3.3 19.7 22 22 A A H ><5S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.877 98.8 57.8 -58.3 -37.6 53.1 -0.5 20.7 23 23 A E T 3<5S+ 0 0 95 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.723 103.3 53.3 -65.8 -22.1 49.4 0.1 21.5 24 24 A D T < 5S- 0 0 86 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.273 123.0-107.0 -94.3 6.0 49.0 1.2 17.9 25 25 A G T < 5 + 0 0 29 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.642 63.9 158.2 78.1 18.8 50.7 -2.0 16.6 26 26 A F < - 0 0 14 -5,-2.0 27,-0.3 25,-0.1 2,-0.3 -0.509 44.7-124.3 -72.7 142.5 54.0 -0.4 15.6 27 27 A A E -a 3 0A 0 -25,-1.0 -23,-0.8 -2,-0.2 2,-0.4 -0.690 39.9-154.9 -73.6 141.0 57.2 -2.6 15.2 28 28 A L E -ac 4 54A 0 25,-2.5 27,-2.3 -2,-0.3 2,-0.6 -0.960 29.6-161.7-136.8 127.9 59.8 -0.9 17.5 29 29 A A E -ac 5 55A 0 -25,-2.6 -23,-2.2 -2,-0.4 2,-0.9 -0.966 23.7-153.9-101.1 119.1 63.5 -0.7 17.8 30 30 A I E -ac 6 56A 0 25,-3.1 27,-2.5 -2,-0.6 2,-0.3 -0.859 11.1-158.8 -99.0 105.4 64.1 0.4 21.4 31 31 A H E + c 0 57A 5 -25,-2.4 -22,-2.2 -2,-0.9 -21,-0.4 -0.679 14.0 176.1 -83.4 146.5 67.4 2.3 21.6 32 32 A Y E - c 0 58A 23 25,-2.1 27,-2.3 -2,-0.3 4,-0.1 -0.983 27.3-150.7-146.8 152.6 69.3 2.7 24.9 33 33 A G S S- 0 0 47 -2,-0.3 -1,-0.2 25,-0.2 3,-0.1 0.951 84.8 -22.5 -83.5 -63.2 72.7 4.2 25.9 34 34 A Q S S+ 0 0 182 1,-0.1 2,-2.0 24,-0.1 3,-0.2 0.746 112.2 80.5-119.9 -49.1 73.7 2.1 29.0 35 35 A N > + 0 0 63 1,-0.2 4,-2.1 2,-0.1 5,-0.1 -0.422 44.7 164.6 -82.5 85.9 70.9 0.4 30.8 36 36 A R H > S+ 0 0 132 -2,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.897 72.0 55.3 -65.8 -42.1 70.3 -2.7 28.7 37 37 A E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 108.7 49.6 -61.2 -39.7 68.2 -4.6 31.2 38 38 A K H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 107.9 53.4 -65.0 -45.8 65.8 -1.6 31.5 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.858 108.6 50.3 -53.1 -36.6 65.5 -1.5 27.7 40 40 A E H X S+ 0 0 89 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.874 105.9 56.2 -72.6 -37.8 64.6 -5.2 27.7 41 41 A E H X S+ 0 0 123 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.933 109.2 45.8 -52.6 -49.5 62.0 -4.6 30.3 42 42 A V H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.907 109.9 54.7 -65.5 -42.6 60.4 -1.9 28.0 43 43 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 108.1 49.0 -56.7 -44.5 60.6 -4.3 25.0 44 44 A E H X S+ 0 0 95 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.932 112.7 47.5 -62.6 -43.1 58.7 -7.0 26.9 45 45 A E H X S+ 0 0 47 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.887 109.5 52.8 -65.9 -39.7 56.0 -4.5 27.9 46 46 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 2,-0.2 4,-0.5 0.893 110.1 49.4 -60.9 -41.3 55.7 -3.2 24.3 47 47 A R H ><5S+ 0 0 93 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.956 109.8 50.5 -61.1 -48.7 55.2 -6.9 23.2 48 48 A R H 3<5S+ 0 0 174 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.788 108.4 53.8 -60.7 -30.6 52.5 -7.3 25.9 49 49 A R T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.482 132.7 -82.4 -83.9 -7.8 50.7 -4.2 24.7 50 50 A G T < 5S+ 0 0 45 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.497 73.8 146.6 126.0 5.1 50.6 -5.4 21.1 51 51 A S < - 0 0 10 -5,-2.4 -1,-0.3 1,-0.1 3,-0.2 -0.604 32.5-158.0 -73.7 131.3 53.8 -4.7 19.2 52 52 A P S S+ 0 0 85 0, 0.0 2,-0.3 0, 0.0 -25,-0.1 0.502 79.3 26.5 -86.8 -11.3 54.4 -7.5 16.6 53 53 A L + 0 0 64 -27,-0.3 -25,-2.5 2,-0.0 2,-0.4 -0.851 68.2 171.2-157.0 116.3 58.1 -7.0 16.4 54 54 A V E +c 28 0A 13 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.990 1.6 174.1-129.5 130.7 60.4 -5.5 19.0 55 55 A A E -c 29 0A 20 -27,-2.3 -25,-3.1 -2,-0.4 2,-0.4 -0.996 22.4-138.8-134.0 143.5 64.2 -5.3 19.2 56 56 A V E -c 30 0A 30 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.866 19.7-170.9-100.4 137.2 66.6 -3.6 21.7 57 57 A L E -c 31 0A 16 -27,-2.5 -25,-2.1 -2,-0.4 2,-0.5 -0.978 9.5-151.9-134.3 125.2 69.6 -1.7 20.3 58 58 A G E +c 32 0A 39 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.799 28.0 151.4-102.8 129.2 72.5 -0.3 22.4 59 59 A A - 0 0 9 -27,-2.3 2,-0.9 -2,-0.5 -2,-0.1 -0.963 41.7-137.1-156.2 136.6 74.4 2.7 21.1 60 60 A N > - 0 0 69 -2,-0.3 3,-2.3 1,-0.1 6,-0.3 -0.846 16.6-160.9 -94.2 109.6 76.3 5.6 22.6 61 61 A L T 3 S+ 0 0 16 -2,-0.9 6,-0.2 1,-0.3 -1,-0.1 0.547 84.8 74.3 -75.2 -8.9 75.2 8.5 20.5 62 62 A L T 3 S+ 0 0 64 4,-0.1 2,-0.6 51,-0.0 -1,-0.3 0.662 82.8 81.7 -66.2 -18.6 78.3 10.5 21.6 63 63 A E S X> S- 0 0 118 -3,-2.3 4,-1.4 1,-0.2 3,-1.2 -0.810 80.5-146.4 -89.7 114.9 80.2 8.2 19.2 64 64 A A H 3> S+ 0 0 29 -2,-0.6 4,-1.6 1,-0.3 3,-0.2 0.911 98.4 48.2 -54.5 -43.9 79.7 9.6 15.7 65 65 A E H 3> S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.737 104.1 64.1 -68.1 -21.8 79.7 6.3 14.0 66 66 A A H <> S+ 0 0 15 -3,-1.2 4,-2.1 -6,-0.3 -1,-0.2 0.942 102.8 44.9 -65.7 -49.5 77.2 5.0 16.5 67 67 A A H X S+ 0 0 0 -4,-1.4 4,-1.0 -7,-0.2 -2,-0.2 0.931 115.0 48.7 -65.3 -41.8 74.3 7.4 15.6 68 68 A T H X S+ 0 0 22 -4,-1.6 4,-0.9 1,-0.2 3,-0.4 0.946 114.1 45.8 -57.7 -48.7 74.9 6.7 11.8 69 69 A A H X S+ 0 0 40 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.840 100.0 71.8 -64.1 -32.0 74.9 2.9 12.3 70 70 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.890 95.0 49.6 -57.9 -44.8 71.8 3.0 14.5 71 71 A V H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.4 -1,-0.2 0.939 113.6 45.6 -62.7 -44.8 69.4 3.8 11.8 72 72 A H H X S+ 0 0 72 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.940 113.2 50.6 -65.5 -42.7 70.7 1.0 9.5 73 73 A Q H X S+ 0 0 87 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.944 112.1 47.8 -55.1 -48.8 70.7 -1.5 12.4 74 74 A A H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.2 6,-0.3 0.926 111.4 49.5 -58.0 -48.3 67.1 -0.5 13.2 75 75 A A H X>S+ 0 0 16 -4,-2.8 5,-1.7 2,-0.2 4,-1.5 0.899 113.0 48.3 -58.5 -42.0 66.1 -0.9 9.5 76 76 A E H <5S+ 0 0 164 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.953 113.0 45.3 -64.5 -49.9 67.7 -4.3 9.4 77 77 A V H <5S+ 0 0 60 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.746 121.1 39.4 -67.8 -25.8 66.2 -5.6 12.6 78 78 A L H <5S- 0 0 7 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.591 107.5-116.7 -98.9 -15.7 62.7 -4.3 11.7 79 79 A G T <5S- 0 0 66 -4,-1.5 2,-0.2 -3,-0.3 -3,-0.2 0.690 87.2 -5.6 80.3 22.5 62.7 -5.1 8.0 80 80 A G < - 0 0 22 -5,-1.7 2,-0.3 -6,-0.3 -2,-0.2 -0.809 69.7-121.8 146.3 174.7 62.4 -1.4 7.1 81 81 A L + 0 0 15 -2,-0.2 -6,-0.1 -78,-0.1 3,-0.1 -0.843 32.4 155.3-153.9 117.9 62.0 2.0 8.8 82 82 A D + 0 0 19 -2,-0.3 51,-1.8 1,-0.2 2,-0.4 0.494 67.7 51.3-117.0 -4.9 59.3 4.6 8.3 83 83 A T E - d 0 133A 0 49,-0.2 -78,-2.1 2,-0.0 2,-0.4 -0.993 53.1-177.5-140.6 135.6 59.4 6.4 11.7 84 84 A L E -bd 5 134A 0 49,-2.3 51,-2.5 -2,-0.4 2,-0.6 -0.988 3.9-171.9-134.3 126.3 62.1 8.1 13.8 85 85 A V E -bd 6 135A 0 -80,-2.7 -78,-2.4 -2,-0.4 2,-1.2 -0.962 10.3-158.3-117.8 112.0 61.6 9.7 17.2 86 86 A N E + d 0 136A 3 49,-2.0 51,-2.8 -2,-0.6 -80,-0.1 -0.752 38.7 140.7 -88.2 89.5 64.7 11.5 18.4 87 87 A N + 0 0 24 -2,-1.2 -1,-0.2 -80,-0.3 -79,-0.1 0.714 31.3 106.3-101.7 -30.3 64.0 11.5 22.1 88 88 A A + 0 0 19 -3,-0.3 2,-0.3 -74,-0.0 -80,-0.1 -0.180 40.0 148.9 -55.5 142.2 67.5 10.9 23.6 89 89 A G - 0 0 40 -81,-0.0 2,-0.3 2,-0.0 18,-0.1 -0.965 27.4-151.1-172.5 152.9 69.3 13.8 25.2 90 90 A I - 0 0 48 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.880 8.2-143.6-129.7 161.4 71.7 14.6 28.0 91 91 A T + 0 0 55 -2,-0.3 2,-0.1 2,-0.1 58,-0.0 -0.933 17.1 179.0-123.6 152.1 72.4 17.5 30.3 92 92 A R - 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