==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-97 3ZNB . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR N.O.CONCHA,O.HERZBERG . 451 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 17.7 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 . 10 2.2 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 . 2 0.4 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 . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 4 0 4 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 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 0 197 0, 0.0 12,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 119.3 29.7 28.2 31.4 2 21 A S - 0 0 54 10,-0.1 2,-0.5 8,-0.1 10,-0.2 -0.403 360.0-161.3 -66.4 136.1 33.5 28.3 31.3 3 22 A V E -A 11 0A 57 8,-1.9 8,-3.0 -2,-0.1 2,-0.2 -0.906 11.5-142.4-128.3 105.4 35.0 27.0 34.6 4 23 A K E +A 10 0A 60 -2,-0.5 6,-0.3 6,-0.3 3,-0.1 -0.451 23.9 172.7 -61.9 121.9 38.6 28.0 35.3 5 24 A I S S+ 0 0 28 4,-2.5 2,-0.3 1,-0.4 5,-0.2 0.273 73.5 0.9-113.9 5.2 40.2 24.9 37.0 6 25 A S S S- 0 0 51 3,-1.0 -1,-0.4 1,-0.0 50,-0.0 -0.904 89.2 -91.6-176.1 167.3 43.6 26.4 36.9 7 26 A D S S+ 0 0 80 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.825 127.9 27.5 -66.4 -26.2 45.0 29.7 35.8 8 27 A D S S+ 0 0 59 1,-0.1 16,-0.8 -3,-0.1 2,-0.4 0.758 114.7 60.9-106.7 -26.3 45.7 28.1 32.4 9 28 A I E + B 0 23A 1 14,-0.2 -4,-2.5 12,-0.1 -3,-1.0 -0.852 55.8 175.9-107.7 133.9 43.1 25.3 32.0 10 29 A S E -AB 4 22A 37 12,-2.0 12,-2.2 -2,-0.4 2,-0.4 -0.966 15.5-148.4-130.5 147.2 39.4 26.1 32.0 11 30 A I E -AB 3 21A 4 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.4 -0.946 8.8-167.2-123.5 150.3 36.7 23.5 31.4 12 31 A T E - B 0 20A 31 8,-3.0 8,-3.4 -2,-0.4 2,-0.4 -0.995 16.4-135.1-140.0 128.5 33.3 23.7 29.8 13 32 A Q E + B 0 19A 81 -12,-0.4 6,-0.3 -2,-0.4 3,-0.1 -0.674 22.9 172.4 -84.1 132.7 30.5 21.1 29.8 14 33 A L S S- 0 0 18 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.651 73.4 -7.9-110.1 -25.0 28.6 20.2 26.7 15 34 A S S S- 0 0 28 3,-2.1 -1,-0.3 1,-0.1 139,-0.0 -0.923 81.4 -88.1-157.1 179.3 26.6 17.3 28.1 16 35 A D S S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.874 129.9 32.9 -70.0 -26.9 26.4 15.2 31.2 17 36 A K S S+ 0 0 32 1,-0.1 23,-2.9 22,-0.1 2,-0.4 0.734 115.3 64.9 -99.1 -18.9 29.0 12.8 29.8 18 37 A V E + C 0 39A 0 21,-0.2 -4,-2.6 19,-0.0 -3,-2.1 -0.870 48.2 170.5-120.9 141.9 31.1 15.3 27.8 19 38 A Y E -BC 13 38A 34 19,-2.0 19,-2.0 -2,-0.4 2,-0.4 -0.952 17.7-151.0-135.4 149.9 33.4 18.3 28.6 20 39 A T E -BC 12 37A 8 -8,-3.4 -8,-3.0 -2,-0.3 2,-0.3 -0.977 16.4-163.7-123.9 128.9 35.8 20.4 26.5 21 40 A Y E -BC 11 36A 0 15,-1.6 15,-1.2 -2,-0.4 2,-0.4 -0.739 10.1-151.0-106.9 165.1 38.8 22.0 28.1 22 41 A V E -BC 10 35A 40 -12,-2.2 -12,-2.0 -2,-0.3 2,-0.4 -0.990 12.3-171.1-132.8 119.3 41.1 24.8 26.9 23 42 A S E -BC 9 34A 2 11,-2.7 11,-3.0 -2,-0.4 2,-0.4 -0.927 12.0-146.0-110.8 140.5 44.6 24.9 28.1 24 43 A L E - C 0 33A 53 -16,-0.8 2,-0.3 -2,-0.4 8,-0.2 -0.891 17.0-179.7-105.7 146.1 46.8 27.9 27.4 25 44 A A - 0 0 13 7,-2.7 7,-0.5 -2,-0.4 2,-0.3 -0.989 27.2-128.5-145.4 133.0 50.6 27.7 26.8 26 45 A E + 0 0 54 -2,-0.3 5,-0.3 5,-0.3 2,-0.0 -0.645 62.8 108.3 -75.7 139.9 53.2 30.4 26.0 27 46 A I 0 0 96 3,-3.5 -1,-0.1 -2,-0.3 4,-0.1 -0.220 360.0 360.0-164.6-103.4 55.2 29.4 22.9 28 47 A E 0 0 180 -2,-0.0 -1,-0.2 0, 0.0 4,-0.0 -0.267 360.0 360.0 -37.5 360.0 55.0 31.0 19.4 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 71 0, 0.0 -3,-3.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 130.4 51.8 33.6 21.5 31 51 A M - 0 0 106 -5,-0.3 -5,-0.3 -4,-0.1 0, 0.0 -0.669 360.0-166.9-118.7 55.7 50.3 32.3 24.7 32 52 A V - 0 0 50 -7,-0.5 -7,-2.7 -2,-0.2 2,-0.4 -0.185 13.6-134.6 -59.3 143.7 48.1 30.0 22.5 33 53 A P E -C 24 0A 46 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.859 16.0-163.0-103.0 133.6 45.1 28.0 23.7 34 54 A S E -C 23 0A 8 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.3 -0.878 7.4-143.7-118.5 143.6 44.4 24.3 22.8 35 55 A N E +C 22 0A 4 167,-2.7 2,-0.3 -2,-0.4 -13,-0.2 -0.747 25.3 156.6-100.9 158.0 41.1 22.4 23.1 36 56 A G E -C 21 0A 0 -15,-1.2 -15,-1.6 -2,-0.3 2,-0.3 -0.871 31.6-112.6-163.1 176.4 40.6 18.7 24.0 37 57 A M E -CD 20 48A 0 11,-2.4 11,-2.2 -2,-0.3 2,-0.4 -0.807 7.1-156.1-121.0 170.7 37.8 16.6 25.5 38 58 A I E -CD 19 47A 0 -19,-2.0 -19,-2.0 -2,-0.3 2,-0.6 -0.946 17.0-167.6-143.7 107.8 37.1 14.7 28.7 39 59 A V E -CD 18 46A 0 7,-2.9 7,-2.5 -2,-0.4 2,-0.4 -0.948 7.9-164.2-108.2 120.2 34.5 12.0 28.1 40 60 A I E + D 0 45A 21 -23,-2.9 2,-0.3 -2,-0.6 5,-0.2 -0.865 20.6 148.5-109.7 143.3 33.1 10.4 31.3 41 61 A N E > S- D 0 44A 41 3,-2.2 3,-1.7 -2,-0.4 89,-0.0 -0.919 73.1 -2.4-170.3 129.1 31.1 7.1 32.0 42 62 A N T 3 S- 0 0 93 1,-0.3 3,-0.1 -2,-0.3 87,-0.0 0.852 130.5 -56.5 52.9 40.8 30.9 4.7 35.0 43 63 A H T 3 S+ 0 0 137 1,-0.2 28,-1.8 25,-0.1 2,-0.4 0.806 113.9 123.9 59.9 34.8 33.5 6.9 36.7 44 64 A Q E < -De 41 71A 53 -3,-1.7 -3,-2.2 26,-0.3 2,-0.4 -0.964 45.4-156.3-125.4 137.0 35.9 6.4 33.8 45 65 A A E -De 40 72A 0 26,-3.1 28,-2.4 -2,-0.4 29,-1.8 -0.928 10.4-160.7-122.3 140.8 37.3 9.2 31.8 46 66 A A E -De 39 74A 0 -7,-2.5 -7,-2.9 -2,-0.4 2,-0.6 -0.976 13.5-153.7-112.4 123.4 38.7 9.4 28.3 47 67 A L E -De 38 75A 0 27,-2.8 29,-1.5 -2,-0.5 2,-0.7 -0.915 5.2-157.8 -94.3 125.5 41.0 12.4 27.7 48 68 A L E -De 37 76A 1 -11,-2.2 -11,-2.4 -2,-0.6 27,-0.1 -0.909 68.5 -11.0-108.8 100.3 40.9 13.3 24.0 49 69 A D S S- 0 0 1 -2,-0.7 36,-0.2 27,-0.6 -12,-0.2 0.212 79.8-118.9 87.7 150.9 44.2 15.3 23.4 50 70 A T - 0 0 0 34,-1.1 36,-0.3 32,-0.1 -27,-0.1 -0.720 25.6 -97.0-117.1 166.0 46.4 16.5 26.2 51 71 A P - 0 0 0 0, 0.0 36,-0.3 0, 0.0 6,-0.1 -0.303 60.9 -79.1 -71.7 169.7 47.5 20.0 27.3 52 72 A I S S- 0 0 62 34,-0.2 2,-0.3 31,-0.1 32,-0.1 0.677 105.1 -0.7 -46.4 -23.1 50.9 21.2 26.0 53 73 A N S > S- 0 0 61 34,-0.1 4,-2.7 1,-0.1 34,-0.3 -0.955 80.6 -81.8-158.7-177.8 52.7 19.2 28.6 54 74 A D H > S+ 0 0 62 32,-0.6 4,-3.0 -2,-0.3 5,-0.2 0.871 118.0 54.6 -60.4 -42.7 52.9 16.9 31.6 55 75 A A H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.981 113.7 40.1 -57.4 -58.1 52.3 19.6 34.1 56 76 A Q H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 115.0 53.7 -57.9 -41.4 49.1 20.8 32.5 57 77 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.957 108.4 49.3 -60.7 -42.0 48.1 17.3 31.8 58 78 A E H X S+ 0 0 88 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.919 109.7 51.2 -63.2 -44.8 48.5 16.3 35.5 59 79 A T H X S+ 0 0 54 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.882 112.8 46.4 -56.4 -48.5 46.5 19.3 36.7 60 80 A L H >X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 3,-0.6 0.978 112.0 48.3 -61.4 -54.7 43.6 18.4 34.4 61 81 A V H 3X S+ 0 0 15 -4,-2.8 4,-1.9 1,-0.3 -2,-0.2 0.894 111.7 51.9 -56.3 -36.2 43.6 14.7 35.2 62 82 A N H 3X S+ 0 0 69 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.831 109.7 49.1 -71.6 -29.9 43.6 15.6 38.9 63 83 A W H S+ 0 0 44 -4,-1.4 4,-3.0 -3,-0.6 5,-1.2 0.939 108.1 53.3 -74.6 -44.0 40.7 17.9 38.4 64 84 A V H <5S+ 0 0 0 -4,-2.7 6,-1.2 3,-0.2 5,-0.2 0.885 117.1 40.0 -55.8 -41.1 38.7 15.2 36.5 65 85 A A H X5S+ 0 0 39 -4,-1.9 4,-1.8 4,-0.2 -2,-0.2 0.998 121.8 37.9 -68.2 -71.9 39.3 12.9 39.5 66 86 A D H <5S+ 0 0 121 -4,-2.3 -3,-0.2 2,-0.2 -2,-0.2 0.854 135.9 20.8 -47.5 -50.7 38.8 15.3 42.4 67 87 A S T <5S+ 0 0 59 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.1 0.916 131.6 37.4 -89.3 -58.5 36.0 17.2 40.7 68 88 A L T 4> S- 0 0 18 1,-0.1 3,-2.1 2,-0.1 4,-1.5 -0.276 74.8-112.9 -67.0 146.3 51.6 17.5 17.5 82 102 A G H 3> S+ 0 0 32 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.758 115.6 59.5 -45.2 -39.7 52.5 18.7 21.0 83 103 A D H 34 S+ 0 0 28 1,-0.2 -1,-0.3 2,-0.2 -31,-0.1 0.232 114.1 41.8 -77.4 13.6 49.1 20.3 21.6 84 104 A C H <4 S+ 0 0 0 -3,-2.1 -34,-1.1 -35,-0.2 -2,-0.2 0.580 135.5 10.7-121.2 -41.1 47.8 16.7 21.1 85 105 A I H >< S+ 0 0 4 -4,-1.5 3,-2.7 -36,-0.2 4,-0.4 0.248 81.7 119.6-127.8 10.4 50.3 14.6 22.9 86 106 A G T 3< S+ 0 0 26 -4,-2.7 -32,-0.6 -5,-0.3 3,-0.2 0.737 88.4 39.2 -49.1 -27.6 52.5 17.0 25.0 87 107 A G T 3> S+ 0 0 0 -34,-0.3 4,-1.6 -36,-0.3 -1,-0.3 0.212 79.9 108.7-111.2 17.1 51.3 15.2 28.2 88 108 A L H <> S+ 0 0 0 -3,-2.7 4,-2.8 1,-0.2 5,-0.3 0.907 73.4 61.1 -60.3 -41.8 51.3 11.6 27.0 89 109 A G H > S+ 0 0 14 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.912 104.9 47.0 -51.8 -46.2 54.4 10.7 29.1 90 110 A Y H > S+ 0 0 17 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 111.2 52.3 -61.9 -45.1 52.6 11.6 32.3 91 111 A L H <>S+ 0 0 0 -4,-1.6 5,-2.3 2,-0.2 4,-0.4 0.887 108.4 49.1 -58.6 -45.7 49.6 9.6 31.3 92 112 A Q H ><5S+ 0 0 77 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.945 110.1 52.6 -60.3 -39.3 51.6 6.6 30.5 93 113 A K H 3<5S+ 0 0 164 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.850 107.9 52.5 -62.4 -33.7 53.2 7.1 33.9 94 114 A K T 3<5S- 0 0 106 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.482 122.8-106.9 -81.8 -3.5 49.7 7.2 35.3 95 115 A G T < 5 + 0 0 65 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.697 60.1 163.6 84.9 25.2 48.8 3.8 33.6 96 116 A V < - 0 0 9 -5,-2.3 2,-0.4 -8,-0.2 -1,-0.2 -0.549 34.8-131.6 -82.2 131.8 46.5 5.2 30.8 97 117 A Q E -f 74 0A 97 -24,-2.4 -22,-1.8 -2,-0.3 2,-0.4 -0.689 27.9-160.7 -83.6 135.0 45.6 3.1 27.7 98 118 A S E -f 75 0A 1 -2,-0.4 20,-1.7 -24,-0.2 2,-0.3 -0.897 15.7-176.2-123.3 148.9 46.1 4.9 24.5 99 119 A Y E +g 118 0B 51 -24,-2.0 2,-0.3 -2,-0.4 20,-0.2 -0.984 16.7 150.2-138.0 145.6 44.8 4.4 21.0 100 120 A A E -g 119 0B 0 18,-1.8 20,-1.6 -2,-0.3 -22,-0.1 -0.985 51.9 -68.3-168.5 163.4 45.7 6.4 17.9 101 121 A N E >> -g 120 0B 0 -24,-0.4 4,-2.3 -2,-0.3 3,-0.7 -0.194 45.5-123.3 -56.3 143.5 46.0 6.2 14.2 102 122 A Q H 3> S+ 0 0 64 18,-2.6 4,-3.1 1,-0.2 5,-0.2 0.934 113.6 61.6 -56.9 -40.7 49.0 3.9 13.2 103 123 A M H 3> S+ 0 0 65 17,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.825 105.0 46.4 -51.0 -40.5 50.3 7.0 11.3 104 124 A T H <> S+ 0 0 0 -3,-0.7 4,-3.1 41,-0.2 5,-0.4 0.955 110.3 51.7 -69.5 -53.9 50.5 8.9 14.6 105 125 A I H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.911 111.9 48.4 -48.6 -47.1 52.2 6.1 16.4 106 126 A D H X S+ 0 0 73 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.874 113.2 45.8 -62.3 -42.4 54.7 5.8 13.6 107 127 A L H X S+ 0 0 28 -4,-1.7 4,-1.9 2,-0.2 6,-0.3 0.898 111.4 50.0 -67.5 -47.4 55.5 9.6 13.6 108 128 A A H <>S+ 0 0 0 -4,-3.1 5,-2.3 2,-0.2 -2,-0.2 0.974 113.1 53.1 -56.4 -44.1 55.8 9.9 17.3 109 129 A K H ><5S+ 0 0 131 -4,-2.2 3,-2.6 -5,-0.4 -2,-0.2 0.933 109.5 41.3 -54.1 -66.3 58.1 6.9 17.0 110 130 A E H 3<5S+ 0 0 148 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.794 115.0 57.7 -57.4 -22.8 60.5 8.2 14.5 111 131 A K T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.350 109.3-122.5 -89.2 8.2 60.3 11.5 16.4 112 132 A G T < 5 + 0 0 74 -3,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.561 69.4 138.7 62.4 9.7 61.4 10.0 19.7 113 133 A L < - 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