==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-DEC-00 1GHD . COMPND 2 MOLECULE: GLUTARYL-7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. 130; . AUTHOR Y.DING,W.JIANG,X.MAO,H.HE,S.ZHANG,H.TANG,M.BARTLAM,S.YE, . 673 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 441 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 18.0 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 1 0.1 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 . 45 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 2 1 1 1 4 1 3 0 0 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 8 4 3 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 0 1 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 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 9 A Q 0 0 192 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.8 77.4 18.8 10.9 2 10 A A - 0 0 78 1,-0.1 3,-0.1 617,-0.0 617,-0.0 -0.288 360.0-101.2 -71.3 153.5 77.2 18.8 14.7 3 11 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.002 56.4 -69.5 -65.3 178.9 75.6 21.6 16.7 4 12 A I - 0 0 58 1,-0.1 212,-0.1 212,-0.1 0, 0.0 -0.435 66.2 -77.0 -77.7 151.2 77.6 24.3 18.3 5 13 A A - 0 0 99 -2,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.117 49.0-121.4 -43.5 125.3 79.8 23.5 21.3 6 14 A A - 0 0 65 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.462 28.5-116.1 -70.5 145.3 77.8 23.2 24.5 7 15 A Y - 0 0 80 187,-0.1 187,-0.1 -2,-0.1 -1,-0.1 -0.675 20.3-146.9 -83.7 138.5 78.9 25.7 27.2 8 16 A K - 0 0 112 -2,-0.3 19,-0.1 188,-0.1 17,-0.0 -0.827 13.9-138.4-108.3 96.4 80.4 24.2 30.3 9 17 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.248 15.4-169.6 -51.2 135.8 79.5 26.3 33.4 10 18 A R S S+ 0 0 220 1,-0.2 2,-0.3 185,-0.0 17,-0.1 0.524 71.9 15.8-103.7 -12.5 82.5 26.6 35.7 11 19 A S S S- 0 0 64 2,-0.1 2,-0.4 662,-0.0 -1,-0.2 -0.973 87.5 -98.4-152.6 160.4 80.7 28.2 38.6 12 20 A N + 0 0 23 660,-0.3 660,-1.3 -2,-0.3 2,-0.3 -0.701 58.0 135.7 -88.6 133.3 77.0 28.6 39.6 13 21 A E E -AB 25 671A 21 12,-2.0 12,-2.6 -2,-0.4 2,-0.5 -0.967 45.5-132.5-167.4 155.7 75.5 32.0 38.7 14 22 A I E -AB 24 670A 2 656,-2.3 656,-2.6 -2,-0.3 2,-0.8 -0.982 16.0-160.1-116.5 123.2 72.3 33.5 37.3 15 23 A L E -AB 23 669A 0 8,-3.0 8,-1.9 -2,-0.5 2,-0.3 -0.910 16.2-151.0-103.7 111.9 72.8 36.2 34.6 16 24 A W E -A 22 0A 3 -2,-0.8 651,-2.4 652,-0.7 -2,-0.0 -0.681 6.2-133.5 -89.4 142.5 69.6 38.2 34.4 17 25 A D > - 0 0 16 4,-2.9 3,-1.0 -2,-0.3 649,-0.1 -0.110 30.2-100.4 -74.5 175.2 68.5 40.0 31.2 18 26 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.1 647,-0.2 648,-0.1 0.603 124.2 52.1 -78.5 -12.2 67.2 43.5 30.7 19 27 A Y T 3 S- 0 0 58 2,-0.1 612,-0.7 611,-0.0 -1,-0.2 0.273 126.7 -96.3-107.1 13.1 63.6 42.1 30.7 20 28 A G S < S+ 0 0 3 -3,-1.0 -2,-0.1 1,-0.3 169,-0.1 0.736 76.2 145.8 82.2 23.9 64.0 40.1 33.9 21 29 A V - 0 0 0 167,-0.1 -4,-2.9 169,-0.0 2,-0.4 -0.832 39.8-140.1 -97.8 128.0 64.9 36.8 32.2 22 30 A P E -A 16 0A 0 0, 0.0 169,-1.9 0, 0.0 2,-0.8 -0.726 9.4-159.4 -94.9 133.0 67.3 34.6 34.1 23 31 A H E -Ac 15 191A 2 -8,-1.9 -8,-3.0 -2,-0.4 2,-0.7 -0.920 20.5-158.7-108.2 106.4 70.1 32.6 32.5 24 32 A I E -Ac 14 192A 0 167,-3.6 169,-4.7 -2,-0.8 2,-0.5 -0.811 10.8-174.1 -95.9 116.8 70.9 29.9 35.0 25 33 A Y E +Ac 13 193A 1 -12,-2.6 -12,-2.0 -2,-0.7 2,-0.4 -0.933 6.9 176.8-111.2 128.0 74.2 28.3 34.8 26 34 A G - 0 0 0 167,-3.1 -14,-0.1 -2,-0.5 6,-0.1 -0.997 36.8-136.5-135.0 139.5 75.0 25.4 37.1 27 35 A V S S+ 0 0 55 -2,-0.4 2,-0.3 167,-0.2 167,-0.1 0.585 95.6 9.7 -67.4 -10.3 78.1 23.1 37.4 28 36 A D S > S- 0 0 70 1,-0.2 4,-2.0 165,-0.1 5,-0.2 -0.973 89.3 -92.4-158.5 170.4 75.6 20.3 37.7 29 37 A A H >> S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 3,-0.9 0.966 118.7 49.9 -51.3 -66.5 71.9 19.5 37.3 30 38 A P H 3> S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.808 110.1 52.7 -42.8 -41.9 70.9 20.1 41.1 31 39 A S H 3> S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.947 108.5 49.7 -63.4 -44.1 72.6 23.4 41.1 32 40 A A H S+ 0 0 21 1,-0.2 4,-2.1 -5,-0.2 -1,-0.2 0.883 113.2 40.7 -53.3 -47.0 54.2 35.3 46.2 47 55 A N H > S+ 0 0 41 -3,-0.4 4,-3.3 2,-0.2 -1,-0.2 0.842 112.9 54.4 -73.2 -31.3 51.9 33.3 43.9 48 56 A I H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.939 111.4 45.7 -64.6 -45.0 54.1 30.2 43.8 49 57 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.904 113.9 49.2 -67.5 -37.5 54.1 30.1 47.7 50 58 A R H X S+ 0 0 42 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.981 111.8 48.7 -64.7 -48.5 50.3 30.7 47.6 51 59 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.4 0.952 111.6 48.4 -52.6 -54.5 49.9 27.9 45.1 52 60 A Y H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.3 6,-0.3 0.893 107.4 57.6 -53.4 -42.3 52.1 25.4 47.0 53 61 A G H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-0.7 0.929 108.6 45.7 -55.0 -42.8 50.1 26.3 50.2 54 62 A E H ><5S+ 0 0 15 -4,-2.0 3,-1.3 -3,-0.4 5,-0.4 0.842 106.7 58.3 -70.0 -33.6 46.9 25.2 48.4 55 63 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.676 99.8 56.8 -72.0 -16.4 48.5 22.1 47.1 56 64 A R T <<5S- 0 0 43 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.422 120.7-113.4 -87.8 -2.5 49.2 20.9 50.6 57 65 A G T < 5S+ 0 0 6 -3,-1.3 4,-0.3 -5,-0.2 3,-0.2 0.708 86.9 121.9 79.9 17.7 45.6 21.3 51.1 58 66 A K >< + 0 0 77 -5,-2.1 4,-2.6 -6,-0.3 5,-0.3 0.259 30.4 107.0-101.9 16.7 46.3 24.1 53.5 59 67 A G H >>S+ 0 0 0 -5,-0.4 4,-2.7 -6,-0.2 5,-0.6 0.952 80.9 45.0 -58.1 -54.2 44.4 26.9 51.7 60 68 A A H >5S+ 0 0 0 7,-0.5 201,-2.8 -3,-0.2 4,-1.9 0.911 116.9 47.6 -59.1 -38.2 41.5 27.1 54.1 61 69 A E H 45S+ 0 0 32 199,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.865 117.5 37.9 -75.0 -36.5 43.9 27.1 57.1 62 70 A Y H <5S+ 0 0 22 -4,-2.6 -2,-0.2 197,-0.1 -1,-0.2 0.871 138.4 9.7 -80.1 -37.9 46.5 29.7 55.8 63 71 A W H <5S- 0 0 20 -4,-2.7 3,-0.3 -5,-0.3 -3,-0.2 0.419 97.1-131.9-127.9 0.2 44.0 32.1 54.2 64 72 A G ><< - 0 0 1 -4,-1.9 3,-3.0 -5,-0.6 4,-0.3 -0.185 52.9 -10.4 92.7-175.9 40.4 31.2 55.0 65 73 A P G > S+ 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.761 118.5 62.9 -36.6 -49.8 36.9 30.7 53.5 66 74 A D G 3 S+ 0 0 156 -3,-0.3 4,-0.2 1,-0.3 3,-0.1 0.744 111.1 42.9 -58.7 -15.4 37.6 32.0 50.0 67 75 A Y G <> S+ 0 0 59 -3,-3.0 4,-1.6 -8,-0.2 -7,-0.5 0.399 88.2 94.4-108.8 1.7 40.1 29.1 49.8 68 76 A E H <> S+ 0 0 25 -3,-2.0 4,-2.8 -4,-0.3 5,-0.2 0.807 78.2 55.0 -64.3 -36.5 38.0 26.4 51.3 69 77 A Q H > S+ 0 0 124 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.910 108.1 48.0 -69.1 -40.9 36.5 24.8 48.2 70 78 A T H > S+ 0 0 37 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.923 112.7 52.6 -63.3 -40.3 39.9 24.2 46.6 71 79 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.961 111.1 43.5 -58.6 -52.7 40.9 22.6 50.0 72 80 A V H X S+ 0 0 29 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.891 115.5 51.9 -61.0 -36.3 37.8 20.3 50.2 73 81 A W H X S+ 0 0 6 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.931 112.4 43.7 -67.2 -43.9 38.4 19.5 46.5 74 82 A L H <>S+ 0 0 0 -4,-3.2 5,-2.3 2,-0.2 -2,-0.2 0.821 116.3 45.4 -74.4 -29.1 42.1 18.7 47.0 75 83 A L H ><5S+ 0 0 33 -4,-2.5 3,-2.0 -5,-0.2 -2,-0.2 0.912 109.4 54.5 -79.4 -42.1 41.6 16.6 50.2 76 84 A T H 3<5S+ 0 0 8 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.927 113.6 41.8 -56.4 -43.4 38.7 14.6 48.9 77 85 A N T 3<5S- 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.333 112.6-127.6 -85.3 8.5 40.8 13.6 45.8 78 86 A G T <>5 + 0 0 14 -3,-2.0 4,-2.5 1,-0.1 -3,-0.2 0.763 53.9 154.0 51.2 36.4 43.7 13.0 48.3 79 87 A V H >< + 0 0 0 -5,-2.3 4,-2.1 2,-0.2 5,-0.2 0.899 65.4 51.7 -61.9 -46.9 46.1 15.2 46.3 80 88 A P H > S+ 0 0 22 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.967 114.6 43.2 -60.7 -45.9 48.4 16.2 49.2 81 89 A E H >> S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.951 113.2 50.8 -66.3 -42.5 48.9 12.7 50.3 82 90 A R H 3X S+ 0 0 36 -4,-2.5 4,-3.1 1,-0.3 -1,-0.2 0.818 105.0 58.7 -63.1 -25.5 49.4 11.4 46.8 83 91 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.846 101.9 53.8 -71.6 -29.5 51.9 14.1 46.2 84 92 A Q H < S+ 0 0 50 -4,-1.5 3,-1.2 -5,-0.2 -1,-0.3 0.929 110.6 44.8 -69.8 -45.3 57.7 12.3 45.6 88 96 A A H 3< S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.872 111.9 56.1 -65.1 -34.8 58.9 9.1 47.4 89 97 A Q T 3< S+ 0 0 107 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.427 84.5 107.1 -75.4 -3.6 58.3 7.3 44.0 90 98 A Q S < S- 0 0 13 -3,-1.2 212,-0.1 -5,-0.2 -3,-0.0 -0.368 82.3-101.8 -72.2 161.8 60.6 9.6 42.1 91 99 A S > - 0 0 35 1,-0.1 4,-3.1 -2,-0.0 5,-0.2 -0.518 34.3-113.4 -77.2 156.3 64.0 8.3 40.9 92 100 A P H > S+ 0 0 100 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.881 113.6 55.7 -59.0 -41.0 66.8 9.5 43.2 93 101 A D H > S+ 0 0 98 1,-0.2 4,-1.0 2,-0.2 -3,-0.0 0.927 116.4 38.3 -55.8 -46.4 68.6 11.6 40.5 94 102 A F H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.888 106.9 61.4 -77.9 -37.8 65.3 13.5 40.0 95 103 A R H X S+ 0 0 60 -4,-3.1 4,-2.8 1,-0.3 -1,-0.2 0.883 105.7 52.7 -54.7 -32.6 64.2 13.6 43.6 96 104 A A H X S+ 0 0 40 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.3 0.839 105.2 50.9 -74.8 -31.7 67.5 15.6 44.1 97 105 A N H X S+ 0 0 11 -4,-1.0 4,-2.8 -3,-0.4 -2,-0.2 0.930 113.5 48.8 -68.3 -38.5 66.7 18.1 41.3 98 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.952 111.5 45.8 -65.9 -48.0 63.3 18.6 43.0 99 107 A D H X S+ 0 0 59 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.903 111.7 54.4 -61.3 -36.2 64.8 19.0 46.4 100 108 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.942 107.3 49.9 -61.0 -45.7 67.3 21.4 44.9 101 109 A F H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.917 112.7 46.6 -58.2 -45.8 64.4 23.5 43.3 102 110 A A H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 24,-0.3 0.926 109.6 54.8 -63.6 -42.9 62.6 23.7 46.7 103 111 A A H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.822 106.5 52.3 -62.0 -29.8 65.9 24.6 48.4 104 112 A G H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.919 107.1 49.9 -73.6 -41.8 66.3 27.5 46.0 105 113 A I H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.995 115.0 46.7 -58.5 -54.3 62.9 28.9 46.7 106 114 A N H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.829 110.0 51.5 -51.9 -42.1 63.7 28.7 50.4 107 115 A A H X S+ 0 0 16 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.923 108.0 52.9 -66.7 -39.4 67.2 30.2 50.1 108 116 A Y H X S+ 0 0 4 -4,-2.6 4,-1.5 -3,-0.3 -1,-0.2 0.918 110.5 47.4 -61.0 -41.1 65.7 33.1 48.3 109 117 A A H >< S+ 0 0 2 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.982 112.6 47.1 -64.9 -56.5 63.2 33.8 51.0 110 118 A Q H 3< S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 118.4 42.2 -52.9 -40.5 65.6 33.5 53.9 111 119 A Q H 3< S+ 0 0 131 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.694 128.4 30.8 -81.4 -15.5 68.1 35.9 52.0 112 120 A N << + 0 0 33 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 -0.346 65.7 155.2-136.4 56.0 65.3 38.2 50.9 113 121 A P S S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.744 79.6 45.8 -59.1 -19.4 62.6 38.1 53.5 114 122 A D S S+ 0 0 112 1,-0.2 2,-1.8 -3,-0.1 -2,-0.1 0.877 95.9 65.6 -86.0 -45.5 61.4 41.5 52.5 115 123 A D S S+ 0 0 86 -6,-0.1 -1,-0.2 -3,-0.1 2,-0.2 -0.041 103.3 80.4 -67.9 37.1 61.3 41.1 48.7 116 124 A I S S- 0 0 7 -2,-1.8 -1,-0.1 -3,-0.4 5,-0.1 -0.839 82.8-109.9-155.7 120.9 58.4 38.4 50.1 117 125 A S > - 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