==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (BETA-LACTAMASE) 06-JUN-96 1ZNB . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR N.O.CONCHA,O.HERZBERG . 458 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 2 0 0 1 1 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 3 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 . 2 0 6 0 4 2 0 0 2 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 . 2 0 0 0 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 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 20 A K 0 0 210 0, 0.0 12,-0.5 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.6 29.9 28.2 31.4 2 21 A S - 0 0 61 10,-0.1 2,-0.5 8,-0.1 10,-0.2 -0.341 360.0-148.0 -79.9 151.4 33.6 27.5 32.1 3 22 A V E -A 11 0A 68 8,-1.9 8,-2.1 -2,-0.1 2,-0.3 -0.979 21.8-139.9-114.3 118.6 35.2 26.7 35.5 4 23 A K E +A 10 0A 83 -2,-0.5 6,-0.3 6,-0.2 2,-0.2 -0.669 24.7 177.6 -83.3 141.0 38.8 28.0 35.7 5 24 A I E > -A 9 0A 33 4,-3.7 4,-0.9 1,-0.3 3,-0.3 -0.673 37.1 -67.0-129.1-176.9 41.4 25.8 37.4 6 25 A S T >4 S+ 0 0 88 -2,-0.2 3,-0.9 1,-0.2 -1,-0.3 0.012 108.3 44.5 -60.0-176.5 45.3 26.1 38.0 7 26 A D T 34 S- 0 0 67 1,-0.2 -1,-0.2 16,-0.1 17,-0.2 0.795 129.5 -70.3 45.3 41.4 47.9 26.0 35.2 8 27 A D T 34 S+ 0 0 87 -3,-0.3 16,-2.8 1,-0.2 2,-0.4 0.894 96.6 138.9 46.1 53.1 45.8 28.3 32.9 9 28 A I E << -AB 5 23A 4 -3,-0.9 -4,-3.7 -4,-0.9 2,-0.3 -0.976 28.9-179.5-128.3 136.6 43.1 25.7 32.3 10 29 A S E -AB 4 22A 29 12,-2.1 12,-2.3 -2,-0.4 2,-0.4 -0.939 10.9-153.6-129.5 157.0 39.3 26.1 32.1 11 30 A I E -AB 3 21A 3 -8,-2.1 -8,-1.9 -2,-0.3 2,-0.4 -0.991 4.6-163.3-139.8 134.6 36.6 23.5 31.5 12 31 A T E - B 0 20A 21 8,-3.4 8,-3.1 -2,-0.4 2,-0.4 -0.946 17.3-133.9-118.2 138.4 33.1 23.6 30.1 13 32 A Q E + B 0 19A 93 -12,-0.5 6,-0.3 -2,-0.4 3,-0.1 -0.728 23.6 173.0 -90.8 128.5 30.4 20.9 30.5 14 33 A L S S- 0 0 10 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.652 71.0 -4.7-103.4 -27.7 28.6 20.1 27.3 15 34 A S S S- 0 0 13 3,-1.8 -1,-0.3 0, 0.0 3,-0.3 -0.896 86.5 -85.6-151.9 175.2 26.5 17.1 28.6 16 35 A D S S+ 0 0 154 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.801 130.0 28.1 -59.1 -28.5 26.3 15.1 31.9 17 36 A K S S+ 0 0 81 1,-0.1 23,-3.1 22,-0.1 2,-0.4 0.437 113.0 70.6-112.5 -1.3 29.2 12.9 30.7 18 37 A V E + C 0 39A 0 -3,-0.3 -4,-2.6 21,-0.2 -3,-1.8 -0.971 48.8 171.9-129.3 132.1 31.2 15.2 28.4 19 38 A Y E -BC 13 38A 33 19,-3.0 19,-2.6 -2,-0.4 2,-0.4 -0.911 17.3-150.2-131.5 150.7 33.4 18.2 29.1 20 39 A T E -BC 12 37A 7 -8,-3.1 -8,-3.4 -2,-0.3 2,-0.3 -0.980 15.7-159.7-120.8 139.1 35.6 20.2 26.9 21 40 A Y E -BC 11 36A 0 15,-2.3 15,-1.7 -2,-0.4 2,-0.4 -0.859 11.5-155.4-117.8 159.1 38.8 22.0 28.2 22 41 A V E -BC 10 35A 43 -12,-2.3 -12,-2.1 -2,-0.3 2,-0.5 -0.997 11.2-170.9-129.6 116.8 41.0 24.9 27.1 23 42 A S E -BC 9 34A 0 11,-2.9 11,-2.0 -2,-0.4 2,-0.4 -0.980 13.2-145.8-114.6 125.0 44.6 25.0 28.3 24 43 A L E + C 0 33A 65 -16,-2.8 2,-0.3 -2,-0.5 8,-0.1 -0.765 23.7 175.4 -88.4 136.9 46.6 28.1 27.6 25 44 A A E - C 0 32A 9 7,-2.1 7,-2.4 -2,-0.4 2,-0.4 -0.984 31.7-112.5-143.2 149.8 50.3 27.6 27.0 26 45 A E E - C 0 31A 115 -2,-0.3 5,-0.3 5,-0.3 -2,-0.0 -0.715 34.8-179.7 -86.7 128.6 53.1 29.9 26.0 27 46 A I 0 0 116 3,-4.4 -1,-0.1 -2,-0.4 4,-0.1 0.815 360.0 360.0 -95.7-102.5 54.7 29.3 22.5 28 47 A E 0 0 128 2,-0.0 -1,-0.1 0, 0.0 3,-0.1 -0.631 360.0 360.0-109.9 360.0 57.6 31.1 20.8 29 ! 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 30 50 A G 0 0 61 0, 0.0 -3,-4.4 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 115.5 52.3 33.9 22.3 31 51 A M E -C 26 0A 102 -5,-0.3 -5,-0.3 -4,-0.1 -7,-0.0 -0.825 360.0-167.0 -92.0 91.0 50.2 32.4 25.1 32 52 A V E -C 25 0A 43 -7,-2.4 -7,-2.1 -2,-1.1 2,-0.2 -0.675 14.6-134.2 -88.8 131.5 48.2 30.0 22.8 33 53 A P E -C 24 0A 48 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.603 20.3-169.4 -84.9 139.5 45.0 28.1 23.9 34 54 A S E -C 23 0A 5 -11,-2.0 -11,-2.9 -2,-0.2 2,-0.3 -0.993 9.7-142.3-125.6 146.3 44.6 24.3 23.1 35 55 A N E +C 22 0A 4 167,-2.6 2,-0.3 -2,-0.3 -13,-0.2 -0.738 24.7 155.4-112.9 158.2 41.4 22.2 23.4 36 56 A G E -C 21 0A 0 -15,-1.7 -15,-2.3 -2,-0.3 2,-0.3 -0.887 29.6-118.7-160.0-179.2 40.7 18.7 24.5 37 57 A M E -CD 20 48A 0 11,-2.0 11,-2.4 -2,-0.3 2,-0.4 -0.889 5.2-153.2-133.9 156.1 37.7 16.6 25.9 38 58 A I E -CD 19 47A 0 -19,-2.6 -19,-3.0 -2,-0.3 2,-0.5 -0.994 14.6-169.9-127.7 123.0 37.0 14.7 29.1 39 59 A V E -CD 18 46A 0 7,-2.2 7,-2.9 -2,-0.4 2,-0.4 -0.972 7.4-163.0-119.0 128.3 34.4 11.9 28.7 40 60 A I E + D 0 45A 20 -23,-3.1 2,-0.3 -2,-0.5 5,-0.2 -0.957 19.3 159.1-122.8 130.9 33.1 10.2 31.9 41 61 A N E > S- D 0 44A 15 3,-2.6 3,-1.0 -2,-0.4 90,-0.1 -0.932 74.7 -9.8-148.8 121.6 31.3 6.9 32.5 42 62 A N T 3 S- 0 0 91 -2,-0.3 3,-0.1 1,-0.2 87,-0.0 0.869 127.0 -55.4 56.9 43.7 31.1 4.9 35.8 43 63 A H T 3 S+ 0 0 132 1,-0.2 28,-2.1 25,-0.1 2,-0.4 0.758 117.8 112.5 62.3 24.4 33.7 7.1 37.5 44 64 A Q E < -De 41 71A 54 -3,-1.0 -3,-2.6 26,-0.3 2,-0.3 -0.978 51.3-156.3-126.0 143.9 36.2 6.3 34.6 45 65 A A E -De 40 72A 0 26,-2.8 28,-2.7 -2,-0.4 29,-1.6 -0.918 14.6-150.1-129.0 145.7 37.3 8.9 32.2 46 66 A A E -De 39 74A 0 -7,-2.9 -7,-2.2 -2,-0.3 2,-0.6 -0.923 15.7-152.0-107.3 129.8 38.7 9.2 28.6 47 67 A L E -De 38 75A 1 27,-2.7 29,-2.1 -2,-0.5 2,-0.8 -0.948 3.5-159.5-101.7 123.0 41.0 12.1 27.9 48 68 A L E -De 37 76A 0 -11,-2.4 -11,-2.0 -2,-0.6 27,-0.1 -0.909 69.3 -13.9-107.3 101.8 40.9 13.2 24.2 49 69 A D S S- 0 0 1 27,-1.3 -1,-0.2 -2,-0.8 -12,-0.2 0.412 75.3-121.2 79.3 147.0 44.2 15.2 23.7 50 70 A T - 0 0 0 34,-1.7 36,-0.3 1,-0.2 4,-0.1 -0.684 27.4-100.4-110.9 164.4 46.5 16.4 26.5 51 71 A P - 0 0 0 0, 0.0 36,-0.5 0, 0.0 -1,-0.2 -0.183 57.4 -85.6 -68.1 177.5 47.6 20.0 27.2 52 72 A I S S+ 0 0 61 34,-0.2 2,-0.3 31,-0.1 32,-0.1 0.621 103.2 30.5 -69.9 -12.7 51.1 20.8 25.9 53 73 A N S > S- 0 0 62 1,-0.1 4,-1.9 34,-0.1 34,-0.3 -0.934 79.6-108.0-145.1 167.9 53.1 19.5 28.9 54 74 A D H > S+ 0 0 60 32,-0.4 4,-2.6 -2,-0.3 5,-0.1 0.875 113.0 57.7 -58.3 -43.8 53.1 16.9 31.7 55 75 A A H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 110.1 40.6 -56.3 -48.4 52.5 19.5 34.4 56 76 A Q H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 113.7 55.2 -71.0 -36.6 49.2 20.9 32.9 57 77 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.944 107.6 49.9 -60.2 -43.5 48.2 17.4 32.1 58 78 A E H X S+ 0 0 90 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.912 109.7 49.8 -60.0 -47.8 48.7 16.4 35.8 59 79 A T H X S+ 0 0 32 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.922 113.3 47.3 -56.8 -45.9 46.7 19.3 37.1 60 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.923 113.2 47.1 -63.4 -49.8 43.8 18.4 34.6 61 81 A V H X S+ 0 0 10 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.871 112.1 50.4 -60.7 -37.5 43.9 14.7 35.5 62 82 A N H X S+ 0 0 63 -4,-2.6 4,-3.5 1,-0.2 -1,-0.2 0.895 110.1 51.8 -71.0 -34.7 43.9 15.4 39.4 63 83 A W H X>S+ 0 0 38 -4,-2.0 4,-2.9 -5,-0.2 5,-1.0 0.880 106.4 51.6 -67.0 -41.7 41.0 17.8 38.8 64 84 A V H X5S+ 0 0 1 -4,-1.9 6,-1.7 3,-0.2 4,-1.0 0.945 116.5 42.3 -61.1 -39.7 38.9 15.1 37.0 65 85 A A H X5S+ 0 0 44 -4,-2.0 4,-0.7 4,-0.3 -2,-0.2 0.976 120.7 41.3 -72.0 -45.5 39.6 12.8 40.0 66 86 A D H <5S+ 0 0 122 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.906 132.4 17.8 -69.2 -46.4 39.0 15.4 42.7 67 87 A S H <5S+ 0 0 62 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.764 133.2 37.7-100.5 -34.7 36.0 17.3 41.2 68 88 A L H <> S- 0 0 17 1,-0.1 4,-2.1 2,-0.1 3,-1.7 -0.160 79.7-108.0 -59.6 156.4 51.7 17.5 17.8 82 102 A G H 3> S+ 0 0 38 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.738 117.2 62.5 -54.6 -33.3 52.4 18.8 21.4 83 103 A D H 34 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.2 -31,-0.1 0.296 114.8 36.3 -78.5 11.2 48.8 20.1 21.9 84 104 A C H <4 S+ 0 0 0 -3,-1.7 -34,-1.7 -35,-0.2 -2,-0.2 0.623 137.6 12.1-125.7 -42.4 47.7 16.5 21.4 85 105 A I H >< S+ 0 0 3 -4,-2.1 3,-2.3 -36,-0.2 4,-0.4 0.264 84.9 116.1-125.8 14.0 50.4 14.3 23.1 86 106 A G T 3< S+ 0 0 24 -4,-2.0 -32,-0.4 -36,-0.3 3,-0.2 0.737 89.2 36.0 -56.1 -29.9 52.5 16.9 25.1 87 107 A G T 3> S+ 0 0 0 -36,-0.5 4,-1.6 -34,-0.3 -1,-0.3 0.161 82.5 108.5-111.0 15.7 51.6 15.3 28.4 88 108 A L H <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.816 72.0 64.3 -59.2 -31.9 51.5 11.6 27.2 89 109 A G H > S+ 0 0 17 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.958 106.3 43.6 -54.6 -52.5 54.7 10.9 29.2 90 110 A Y H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 110.1 55.2 -62.2 -42.9 52.8 11.6 32.4 91 111 A L H <>S+ 0 0 0 -4,-1.6 5,-2.7 1,-0.2 4,-0.3 0.887 107.7 50.7 -60.1 -35.1 49.7 9.6 31.3 92 112 A Q H ><5S+ 0 0 68 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.900 107.1 52.3 -70.7 -35.1 51.9 6.6 30.8 93 113 A K H 3<5S+ 0 0 168 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.7 53.8 -67.9 -32.0 53.5 6.9 34.2 94 114 A K T 3<5S- 0 0 121 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.601 119.3-115.4 -73.7 -13.5 49.9 7.0 35.5 95 115 A G T < 5 + 0 0 64 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.726 55.1 165.6 83.4 23.4 49.2 3.7 33.7 96 116 A V < - 0 0 7 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.554 35.4-125.8 -73.9 136.6 46.7 5.2 31.3 97 117 A Q E -f 74 0A 89 -24,-2.4 -22,-2.0 -2,-0.3 2,-0.4 -0.642 29.5-156.4 -80.5 136.9 45.8 3.1 28.2 98 118 A S E -f 75 0A 0 -2,-0.3 20,-2.7 -24,-0.2 2,-0.3 -0.934 17.7-175.6-129.2 146.7 46.2 4.8 24.8 99 119 A Y E +g 118 0B 46 -24,-2.4 2,-0.3 -2,-0.4 20,-0.2 -0.984 18.9 152.2-131.9 142.2 44.8 4.4 21.3 100 120 A A E -g 119 0B 0 18,-2.1 20,-2.1 -2,-0.3 2,-0.1 -0.977 52.0 -71.0-163.5 163.6 45.8 6.4 18.2 101 121 A N E >> -g 120 0B 2 -24,-0.4 4,-2.1 -2,-0.3 3,-0.7 -0.452 45.3-125.8 -57.9 134.0 46.1 6.4 14.4 102 122 A Q H 3> S+ 0 0 60 18,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.858 113.9 59.8 -52.3 -35.4 49.0 3.9 13.5 103 123 A M H 3> S+ 0 0 62 17,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.885 103.5 49.2 -59.6 -39.0 50.3 7.0 11.6 104 124 A T H <> S+ 0 0 0 -3,-0.7 4,-2.7 41,-0.2 -2,-0.2 0.942 110.7 49.2 -65.7 -50.6 50.5 8.9 14.8 105 125 A I H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.941 112.7 48.7 -52.0 -48.5 52.3 6.1 16.6 106 126 A D H X S+ 0 0 79 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.931 113.7 44.5 -59.8 -48.0 54.8 5.9 13.6 107 127 A L H X S+ 0 0 32 -4,-2.4 4,-1.9 1,-0.2 6,-0.2 0.921 114.1 51.3 -62.7 -43.4 55.5 9.7 13.6 108 128 A A H <>S+ 0 0 0 -4,-2.7 5,-3.1 -5,-0.2 -2,-0.2 0.911 111.6 47.1 -60.2 -46.9 55.8 9.7 17.4 109 129 A K H ><5S+ 0 0 125 -4,-2.6 3,-2.4 -5,-0.2 -2,-0.2 0.979 112.3 48.1 -58.0 -54.1 58.3 6.8 17.4 110 130 A E H 3<5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 113.5 48.8 -59.9 -32.0 60.5 8.3 14.7 111 131 A K T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.380 113.3-116.7 -90.1 2.6 60.5 11.7 16.5 112 132 A G T < 5 + 0 0 70 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.789 67.7 143.3 67.6 25.6 61.4 10.2 19.9 113 133 A L < - 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