==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 06-FEB-02 1KZF . COMPND 2 MOLECULE: ACYL-HOMOSERINELACTONE SYNTHASE ESAI; . SOURCE 2 ORGANISM_SCIENTIFIC: PANTOEA STEWARTII SUBSP. STEWARTII; . AUTHOR W.T.WATSON,T.D.MINOGUE,D.L.VAL,S.BECK VON BODMAN, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 22.2 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 1 0 1 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 3 2 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 0 1 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 0 117 0, 0.0 2,-0.5 0, 0.0 48,-0.4 0.000 360.0 360.0 360.0 164.9 28.3 -17.2 1.0 2 2 A L E -A 197 0A 0 195,-3.4 195,-2.9 46,-0.1 2,-0.5 -0.923 360.0-160.8-107.6 119.3 27.5 -15.0 4.0 3 3 A E E -AB 196 47A 72 44,-3.0 44,-3.0 -2,-0.5 2,-0.5 -0.882 7.7-175.3-103.2 125.3 26.7 -16.8 7.3 4 4 A L E +AB 195 46A 0 191,-2.7 191,-2.9 -2,-0.5 2,-0.3 -0.983 25.2 138.6-121.1 118.0 24.8 -15.0 10.1 5 5 A F E - B 0 45A 53 40,-1.8 40,-2.8 -2,-0.5 2,-0.3 -0.920 44.2-108.7-148.2 171.5 24.5 -16.9 13.3 6 6 A D E - B 0 44A 31 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.844 23.9-175.0-114.5 151.6 24.7 -16.3 17.0 7 7 A V E - B 0 43A 12 36,-2.5 36,-2.8 -2,-0.3 2,-0.2 -0.957 21.8-123.3-136.8 149.9 27.2 -17.3 19.6 8 8 A S E > - B 0 42A 13 -2,-0.3 4,-2.0 34,-0.2 34,-0.2 -0.550 23.3-116.5 -93.6 162.2 27.3 -16.9 23.4 9 9 A Y H > S+ 0 0 55 32,-2.1 4,-1.2 29,-0.3 5,-0.2 0.919 119.4 54.8 -56.9 -44.2 29.9 -15.2 25.5 10 10 A E H > S+ 0 0 78 31,-0.3 4,-4.4 1,-0.2 5,-0.4 0.866 106.5 49.2 -59.1 -40.8 30.5 -18.6 27.1 11 11 A E H > S+ 0 0 100 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.867 108.7 53.2 -68.5 -34.6 31.1 -20.2 23.7 12 12 A L H < S+ 0 0 44 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.745 124.2 28.9 -69.8 -22.7 33.6 -17.4 22.8 13 13 A Q H < S+ 0 0 118 -4,-1.2 -2,-0.2 -3,-0.2 -3,-0.2 0.853 115.8 54.4-100.7 -56.3 35.4 -18.2 26.0 14 14 A T H < 0 0 95 -4,-4.4 -3,-0.2 1,-0.3 -2,-0.1 0.688 360.0 360.0 -54.1 -18.0 34.8 -21.9 26.7 15 15 A T < 0 0 90 -4,-0.9 -1,-0.3 -5,-0.4 -2,-0.1 -0.353 360.0 360.0-126.8 360.0 36.2 -22.3 23.2 16 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 28 A F > 0 0 115 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -93.2 43.4 -26.1 10.5 18 29 A S H > + 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.603 360.0 68.8 -70.1 -10.0 41.7 -23.2 8.7 19 30 A D H > S+ 0 0 131 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.984 102.2 36.6 -71.3 -64.6 39.1 -23.6 11.5 20 31 A R H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.926 120.8 50.7 -55.0 -46.4 41.1 -22.4 14.5 21 32 A L H X S+ 0 0 113 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.937 108.9 49.3 -57.0 -52.8 42.8 -19.8 12.3 22 33 A G H X S+ 0 0 12 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 111.6 50.6 -55.1 -41.7 39.5 -18.5 10.9 23 34 A W H X S+ 0 0 69 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.872 109.3 50.2 -65.4 -37.9 38.2 -18.2 14.5 24 35 A E H X S+ 0 0 117 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 110.6 49.1 -69.1 -36.9 41.3 -16.4 15.6 25 36 A V H X S+ 0 0 47 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.913 110.9 51.5 -66.2 -41.2 41.0 -13.9 12.7 26 37 A I H >< S+ 0 0 13 -4,-2.4 3,-0.8 -5,-0.2 4,-0.3 0.933 111.4 46.2 -59.4 -49.3 37.3 -13.4 13.6 27 38 A C H >< S+ 0 0 56 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.894 109.1 54.9 -62.4 -39.3 38.2 -12.7 17.2 28 39 A S H 3< S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.704 108.2 51.5 -68.5 -16.3 41.0 -10.3 16.2 29 40 A Q T << S+ 0 0 33 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.435 93.3 103.0 -99.7 0.6 38.4 -8.4 14.1 30 41 A G S < S- 0 0 33 -3,-1.4 2,-0.2 -4,-0.3 3,-0.1 -0.314 81.7 -84.6 -87.2 167.9 35.8 -7.9 16.9 31 42 A M - 0 0 80 58,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.457 51.1-109.6 -66.5 131.2 34.8 -5.1 19.1 32 43 A E - 0 0 171 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.395 44.3 -96.2 -64.8 139.0 36.9 -4.8 22.3 33 44 A S - 0 0 96 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.105 40.9-178.1 -53.5 161.4 35.1 -5.7 25.5 34 45 A D > - 0 0 45 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.769 51.9 -65.7-143.8-170.0 33.4 -3.4 27.9 35 46 A E T 3 S+ 0 0 165 1,-0.3 -2,-0.1 -2,-0.2 30,-0.0 0.706 126.9 54.1 -58.5 -22.3 31.6 -3.8 31.2 36 47 A F T 3 S+ 0 0 18 27,-0.0 2,-1.0 2,-0.0 -1,-0.3 0.479 74.2 105.2 -97.0 -3.1 28.7 -5.8 29.7 37 48 A D < + 0 0 21 -3,-1.5 22,-0.0 3,-0.1 -4,-0.0 -0.698 59.0 93.6 -82.7 103.3 30.6 -8.6 27.9 38 49 A G S > S- 0 0 15 -2,-1.0 3,-2.8 4,-0.0 -29,-0.3 -0.954 77.6 -23.4-168.3-175.7 29.9 -11.6 30.1 39 50 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -31,-0.0 -0.177 125.7 27.4 -47.3 125.4 27.8 -14.7 30.8 40 51 A G T 3 S+ 0 0 40 1,-0.5 2,-0.1 19,-0.1 20,-0.1 -0.090 92.1 118.0 111.0 -33.6 24.4 -14.2 29.3 41 52 A T < - 0 0 6 -3,-2.8 -32,-2.1 18,-0.1 -1,-0.5 -0.405 45.3-167.1 -67.0 141.6 25.6 -11.9 26.5 42 53 A R E -BC 8 58A 59 16,-2.4 16,-3.3 -34,-0.2 2,-0.4 -0.931 4.5-156.4-131.3 154.0 25.0 -13.1 23.0 43 54 A Y E -BC 7 57A 31 -36,-2.8 -36,-2.5 -2,-0.3 2,-0.5 -0.990 12.6-144.2-134.2 140.6 26.4 -12.0 19.6 44 55 A I E -BC 6 56A 0 12,-2.8 12,-1.7 -2,-0.4 2,-0.4 -0.906 23.9-164.1 -98.7 128.3 25.3 -12.2 16.1 45 56 A L E -BC 5 55A 13 -40,-2.8 -40,-1.8 -2,-0.5 2,-0.6 -0.939 11.9-155.3-113.6 138.1 28.3 -12.7 13.8 46 57 A G E +BC 4 54A 0 8,-2.6 7,-3.0 -2,-0.4 8,-1.3 -0.975 27.3 179.9-112.4 114.5 28.2 -12.1 10.0 47 58 A I E +BC 3 52A 18 -44,-3.0 -44,-3.0 -2,-0.6 2,-0.4 -0.935 18.8 174.1-127.7 142.7 31.0 -14.2 8.5 48 59 A C E > S- C 0 51A 4 3,-2.3 3,-1.4 -2,-0.4 -46,-0.1 -0.976 74.9 -9.7-145.7 126.2 32.3 -14.8 5.0 49 60 A E T 3 S- 0 0 146 -48,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.886 129.6 -52.6 54.3 43.4 35.4 -16.8 4.0 50 61 A G T 3 S+ 0 0 29 1,-0.2 2,-0.4 -25,-0.0 -1,-0.3 0.676 116.1 112.7 68.7 17.6 36.5 -17.0 7.7 51 62 A Q E < -C 48 0A 62 -3,-1.4 -3,-2.3 -26,-0.1 2,-0.6 -0.959 68.1-119.8-127.5 147.2 36.3 -13.2 8.2 52 63 A L E +C 47 0A 3 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.693 32.6 165.5 -85.3 115.9 34.0 -11.0 10.3 53 64 A V E - 0 0 0 -7,-3.0 40,-2.6 -2,-0.6 2,-0.3 0.666 66.6 -5.9-101.6 -21.9 31.9 -8.6 8.2 54 65 A C E +CD 46 92A 0 -8,-1.3 -8,-2.6 38,-0.2 -1,-0.3 -0.990 58.1 173.3-165.4 163.7 29.4 -7.5 10.8 55 66 A S E -CD 45 91A 10 36,-2.4 36,-2.9 -2,-0.3 2,-0.3 -0.976 9.3-165.3-168.7 161.4 28.2 -8.2 14.3 56 67 A V E -C 44 0A 2 -12,-1.7 -12,-2.8 -2,-0.3 2,-0.4 -0.969 18.0-133.0-154.8 150.3 25.9 -7.0 17.0 57 68 A R E -CD 43 88A 2 31,-2.4 31,-2.4 -2,-0.3 2,-0.4 -0.870 10.5-157.3-110.9 139.8 25.6 -7.7 20.7 58 69 A F E -CD 42 87A 3 -16,-3.3 -16,-2.4 -2,-0.4 2,-0.4 -0.972 9.8-178.1-119.6 132.6 22.5 -8.6 22.8 59 70 A T E - D 0 86A 4 27,-2.3 27,-2.8 -2,-0.4 -18,-0.1 -0.988 32.6-111.2-126.2 134.8 22.2 -8.1 26.5 60 71 A S E > - D 0 85A 30 -2,-0.4 3,-1.8 25,-0.2 25,-0.3 -0.357 22.9-128.7 -63.3 142.5 19.2 -9.0 28.6 61 72 A L T 3 S+ 0 0 12 23,-2.4 -1,-0.1 1,-0.3 24,-0.1 0.753 107.7 61.8 -65.0 -21.2 17.4 -6.0 30.0 62 73 A D T 3 S+ 0 0 99 22,-0.4 -1,-0.3 2,-0.1 -2,-0.1 0.515 98.1 68.8 -83.7 -3.3 17.5 -7.5 33.5 63 74 A R S < S- 0 0 146 -3,-1.8 5,-0.2 1,-0.1 -4,-0.1 -0.763 107.5 -74.7-108.9 159.8 21.3 -7.5 33.4 64 75 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.274 68.0 157.5 -52.3 134.4 23.5 -4.4 33.5 65 76 A N >> - 0 0 0 -4,-0.1 4,-2.6 -3,-0.0 5,-0.6 -0.915 55.9 -87.5-151.8 177.0 23.4 -2.7 30.1 66 77 A M I 4>S+ 0 0 39 -2,-0.3 5,-2.9 1,-0.2 6,-0.1 0.790 120.6 52.0 -65.8 -26.9 23.9 0.6 28.3 67 78 A I I 45S+ 0 0 6 3,-0.2 8,-0.3 1,-0.1 -1,-0.2 0.949 119.9 31.9 -73.2 -45.7 20.4 1.9 28.9 68 79 A T I 45S+ 0 0 42 -5,-0.2 -2,-0.2 -7,-0.1 -1,-0.1 0.714 136.8 17.8 -85.5 -23.5 20.3 1.2 32.7 69 80 A H I ><5S+ 0 0 101 -4,-2.6 3,-1.6 3,-0.1 4,-0.3 0.769 124.2 37.5-112.3 -74.0 24.0 1.9 33.4 70 81 A T I 3 > S+ 0 0 120 -3,-1.6 4,-1.1 1,-0.3 3,-0.4 0.874 71.3 55.6 -48.8 -45.2 21.3 5.9 33.0 73 84 A H H 34 S+ 0 0 139 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.686 107.4 50.5 -67.2 -16.8 21.1 9.7 33.4 74 85 A C H <4 S+ 0 0 11 -3,-1.9 -1,-0.2 -7,-0.2 -2,-0.2 0.792 124.8 21.5 -89.4 -29.6 19.6 10.1 29.9 75 86 A F H >< S+ 0 0 5 -4,-1.4 3,-1.9 -3,-0.4 -2,-0.2 0.155 77.6 118.4-127.4 19.0 16.8 7.6 30.1 76 87 A S T 3< S+ 0 0 93 -4,-1.1 -1,-0.1 1,-0.3 -3,-0.1 0.715 75.7 61.7 -63.4 -16.1 16.0 7.0 33.8 77 88 A D T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -4,-0.1 -1,-0.3 0.690 86.9 90.1 -81.9 -14.8 12.5 8.3 33.3 78 89 A V S < S- 0 0 30 -3,-1.9 2,-0.6 1,-0.0 -3,-0.1 -0.670 72.5-142.2 -84.8 127.8 11.8 5.5 30.8 79 90 A T - 0 0 129 -2,-0.4 -2,-0.1 0, 0.0 -3,-0.0 -0.794 16.9-154.3 -92.5 125.4 10.3 2.3 32.3 80 91 A L - 0 0 41 -2,-0.6 4,-0.1 1,-0.1 2,-0.0 -0.651 22.6-100.4 -97.7 154.5 11.6 -0.8 30.7 81 92 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.331 26.0-123.7 -67.5 154.6 9.9 -4.2 30.5 82 93 A A S S+ 0 0 96 1,-0.2 2,-0.5 -20,-0.0 -20,-0.1 0.857 101.6 45.5 -66.8 -32.8 10.9 -6.9 33.1 83 94 A Y S S+ 0 0 131 -22,-0.1 2,-0.3 -23,-0.1 -1,-0.2 -0.940 84.8 87.8-116.9 128.0 11.7 -9.1 30.1 84 95 A G - 0 0 3 -2,-0.5 -23,-2.4 40,-0.1 -22,-0.4 -0.986 55.6-102.5 170.0-178.1 13.6 -8.1 27.0 85 96 A T E -D 60 0A 1 41,-0.4 43,-2.8 -2,-0.3 2,-0.4 -0.970 14.0-149.9-137.0 148.8 16.8 -7.5 25.2 86 97 A E E -De 59 128A 1 -27,-2.8 -27,-2.3 -2,-0.3 2,-0.4 -0.970 12.8-149.7-115.5 131.3 19.1 -4.6 24.3 87 98 A S E +De 58 129A 5 41,-2.7 43,-0.6 -2,-0.4 2,-0.3 -0.816 27.8 159.4 -99.1 142.5 21.2 -4.6 21.2 88 99 A S E +D 57 0A 10 -31,-2.4 -31,-2.4 -2,-0.4 3,-0.1 -0.929 43.6 42.6-148.9 175.2 24.5 -2.7 21.2 89 100 A R E - 0 0 59 -2,-0.3 -58,-0.1 -33,-0.2 -1,-0.1 0.867 66.3-166.9 51.8 41.8 27.8 -2.4 19.5 90 101 A F E - 0 0 59 -34,-0.1 2,-0.4 -3,-0.1 -34,-0.2 -0.442 11.5-172.1 -59.1 130.8 26.3 -2.7 16.0 91 102 A F E +D 55 0A 39 -36,-2.9 -36,-2.4 -3,-0.1 2,-0.4 -0.991 22.3 166.8-138.4 127.8 29.3 -3.3 13.7 92 103 A V E -D 54 0A 33 -2,-0.4 2,-1.3 -38,-0.2 -38,-0.2 -0.976 24.8-149.3-137.9 119.9 29.7 -3.4 10.0 93 104 A D > - 0 0 38 -40,-2.6 4,-2.6 -2,-0.4 5,-0.2 -0.758 18.1-177.3 -89.0 93.9 33.1 -3.4 8.4 94 105 A K H > S+ 0 0 164 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.871 78.9 51.7 -60.3 -41.0 32.1 -1.6 5.1 95 106 A A H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.953 115.1 40.8 -60.7 -50.2 35.6 -1.9 3.7 96 107 A R H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.836 112.9 54.2 -69.8 -33.0 35.8 -5.6 4.3 97 108 A A H X S+ 0 0 5 -4,-2.6 4,-3.5 2,-0.2 5,-0.4 0.887 106.8 52.6 -66.9 -38.7 32.2 -6.3 3.2 98 109 A R H X S+ 0 0 121 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.943 110.4 48.3 -60.5 -46.3 32.9 -4.5 -0.1 99 110 A A H < S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.920 124.7 28.0 -61.5 -46.9 35.9 -6.7 -0.7 100 111 A L H < S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.835 134.1 29.1 -87.1 -36.3 34.2 -10.0 0.1 101 112 A L H < S- 0 0 15 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.357 109.5-116.5-107.1 3.6 30.5 -9.3 -0.8 102 113 A G >< - 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