==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-98 1BZA . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.IBUKA,A.TAGUCHI,M.ISHIGURO,S.FUSHINOBU,Y.ISHII,S.KAMITORI, . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 7 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 0 0 0 0 0 0 2 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 1 0 1 1 1 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 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 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 28 A S > 0 0 77 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 173.1 39.3 52.8 23.4 2 29 A V H > + 0 0 40 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.959 360.0 50.7 -65.6 -42.9 38.7 48.9 23.1 3 30 A Q H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 110.3 48.6 -62.0 -38.3 41.9 48.5 21.1 4 31 A Q H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.7 50.8 -68.1 -38.3 44.0 50.5 23.6 5 32 A Q H X S+ 0 0 95 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 111.1 46.3 -65.2 -40.1 42.5 48.4 26.4 6 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.869 110.8 54.7 -71.2 -34.1 43.3 45.1 24.8 7 34 A E H X S+ 0 0 89 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.955 110.6 44.9 -65.0 -43.7 46.8 46.4 24.0 8 35 A A H X S+ 0 0 55 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.934 112.9 50.9 -66.3 -44.2 47.4 47.2 27.7 9 36 A L H X S+ 0 0 28 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.934 111.7 47.2 -60.6 -44.8 45.9 43.9 28.8 10 37 A E H X>S+ 0 0 17 -4,-2.5 5,-1.0 2,-0.2 4,-0.8 0.950 112.2 51.5 -60.6 -45.2 48.2 42.0 26.4 11 38 A K H ><5S+ 0 0 148 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.934 113.5 41.0 -61.6 -50.6 51.3 44.0 27.5 12 39 A S H 3<5S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.4 62.2 -73.5 -24.4 50.9 43.5 31.2 13 40 A S H 3<5S- 0 0 14 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.694 101.0-131.2 -68.6 -19.6 49.9 39.8 30.8 14 41 A G T <<5S+ 0 0 47 -3,-0.9 -3,-0.1 -4,-0.8 2,-0.1 0.673 71.4 85.0 76.4 9.0 53.3 38.9 29.2 15 42 A G S >> -AB 229 28A 43 5,-3.1 4,-2.0 -2,-0.5 3,-1.1 -0.842 6.1-160.4 -89.0 107.4 28.1 41.4 16.5 24 51 A T T 345S+ 0 0 34 204,-2.1 -1,-0.1 -2,-0.9 205,-0.1 0.631 79.8 76.2 -72.5 -4.7 25.4 39.6 14.4 25 52 A A T 345S- 0 0 72 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.909 127.0 -3.1 -65.0 -35.5 22.9 42.6 14.6 26 53 A D T <45S- 0 0 101 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.322 95.6-116.1-139.2 0.8 25.0 44.4 12.0 27 54 A N T <5 + 0 0 80 -4,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.725 62.4 151.8 61.2 26.0 27.9 42.1 11.4 28 55 A S E < -B 23 0A 53 -5,-0.8 -5,-3.1 -6,-0.0 2,-0.3 -0.507 30.0-148.9 -79.8 155.2 30.3 44.6 12.7 29 56 A Q E -B 22 0A 76 -7,-0.2 2,-0.5 -2,-0.2 -7,-0.2 -0.893 20.4-151.7-129.2 153.8 33.5 43.2 14.3 30 57 A I E -B 21 0A 44 -9,-2.1 -9,-2.7 -2,-0.3 2,-0.4 -0.998 31.5-176.5-120.7 121.5 36.0 44.0 17.0 31 59 A L E +B 20 0A 56 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.950 20.9 173.1-127.9 139.8 39.4 42.5 16.1 32 60 A Y E S-B 19 0A 17 -13,-2.7 -13,-3.0 -2,-0.4 -2,-0.0 -0.916 86.2 -22.5-146.3 113.8 42.7 42.2 17.8 33 61 A R S > S+ 0 0 99 -2,-0.3 3,-1.7 -15,-0.2 123,-0.1 0.803 89.9 153.3 48.2 36.8 45.4 40.1 16.2 34 62 A A T 3 + 0 0 5 1,-0.3 122,-2.7 -15,-0.2 123,-0.5 0.658 64.0 50.0 -73.3 -14.9 42.4 38.4 14.5 35 63 A D T 3 S+ 0 0 129 120,-0.2 2,-0.3 119,-0.1 -1,-0.3 0.272 89.0 100.7-103.6 5.4 44.5 37.3 11.5 36 64 A E S < S- 0 0 64 -3,-1.7 2,-0.2 1,-0.0 120,-0.1 -0.725 77.0-111.8 -88.8 145.7 47.3 35.7 13.4 37 65 A R - 0 0 95 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.562 35.5-179.9 -79.3 141.3 47.5 31.9 13.9 38 66 A F E -E 153 0B 2 115,-2.6 115,-1.6 -2,-0.2 2,-0.3 -0.975 37.9-101.3-129.9 146.3 47.1 30.5 17.3 39 67 A A E -E 152 0B 17 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.560 30.0-152.4 -62.3 124.9 47.1 26.8 18.5 40 68 A M > + 0 0 0 111,-2.6 3,-1.9 -2,-0.3 -1,-0.2 0.827 22.4 178.0 -69.4 -33.7 43.4 25.8 18.8 41 69 A C G > S- 0 0 0 100,-0.6 3,-1.5 110,-0.6 -1,-0.2 -0.372 71.4 -11.7 56.3-135.0 44.0 23.2 21.5 42 70 A S G > S+ 0 0 7 167,-0.3 3,-1.6 1,-0.3 4,-0.3 0.608 120.2 82.8 -75.9 -1.9 40.6 21.7 22.6 43 71 A T G X S+ 0 0 1 -3,-1.9 3,-1.2 1,-0.3 4,-0.4 0.838 80.4 70.2 -70.7 -15.4 38.6 24.4 20.8 44 72 A S G X> S+ 0 0 1 -3,-1.5 4,-1.3 1,-0.2 3,-0.8 0.731 76.7 81.0 -68.9 -18.0 39.2 22.1 17.7 45 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.848 81.8 64.4 -59.8 -27.0 36.8 19.6 19.2 46 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.3 -1,-0.2 0.903 100.6 49.6 -60.9 -39.6 33.9 21.6 17.9 47 75 A M H <> S+ 0 0 1 -3,-0.8 4,-1.6 -4,-0.4 -1,-0.2 0.861 110.4 49.4 -73.4 -34.1 34.9 21.0 14.3 48 76 A A H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.931 113.8 46.5 -65.8 -44.1 35.2 17.2 14.9 49 77 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.949 113.8 48.5 -62.7 -43.9 31.7 17.2 16.6 50 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.827 104.5 59.4 -67.3 -31.7 30.2 19.3 13.7 51 79 A A H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.927 108.1 45.3 -65.8 -38.2 31.8 17.0 11.1 52 80 A V H X S+ 0 0 5 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 110.4 53.2 -73.0 -37.1 29.8 14.1 12.5 53 81 A L H X S+ 0 0 0 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.950 106.0 55.0 -63.1 -38.0 26.6 16.1 12.7 54 82 A K H >< S+ 0 0 67 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.957 107.8 49.1 -62.0 -42.6 27.1 17.0 9.0 55 83 A Q H >X S+ 0 0 70 -4,-1.9 3,-2.1 1,-0.3 4,-0.9 0.907 101.8 62.4 -62.1 -38.3 27.2 13.3 8.2 56 84 A S H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 88.2 73.2 -63.1 -13.8 24.1 12.6 10.3 57 85 A E T << S+ 0 0 72 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.770 109.1 30.5 -65.8 -25.4 22.2 14.9 7.8 58 86 A S T <4 S+ 0 0 108 -3,-2.1 2,-0.4 -4,-0.4 -1,-0.2 0.488 119.7 57.0-110.5 -14.1 22.4 12.1 5.3 59 87 A D >< - 0 0 62 -4,-0.9 3,-0.9 1,-0.1 4,-0.4 -0.789 56.8-170.8-132.5 104.0 22.4 9.2 7.6 60 88 A K T 3 S+ 0 0 93 -2,-0.4 4,-0.2 1,-0.2 3,-0.2 0.776 88.2 49.7 -57.8 -32.5 19.5 8.7 10.0 61 89 A H T >> S+ 0 0 146 1,-0.1 3,-1.3 2,-0.1 4,-0.6 0.813 87.1 92.6 -79.8 -26.3 21.1 5.8 11.9 62 90 A L G X4 S+ 0 0 8 -3,-0.9 3,-1.6 1,-0.2 29,-0.4 0.758 77.4 49.7 -39.6 -59.7 24.5 7.5 12.5 63 91 A L G 34 S+ 0 0 34 -4,-0.4 29,-2.6 1,-0.3 30,-0.4 0.774 110.5 53.3 -62.4 -23.2 24.3 9.3 15.9 64 92 A N G <4 S+ 0 0 119 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.564 77.7 120.2 -84.5 -12.7 23.0 6.2 17.5 65 93 A Q << - 0 0 93 -3,-1.6 26,-1.8 -4,-0.6 2,-0.3 -0.367 61.8-133.3 -56.7 125.7 25.8 3.9 16.3 66 94 A R E -F 90 0C 138 24,-0.2 2,-0.4 25,-0.1 24,-0.2 -0.629 16.3-159.4 -89.0 143.1 27.6 2.5 19.4 67 95 A V E -F 89 0C 25 22,-2.7 22,-2.0 -2,-0.3 2,-0.3 -0.976 19.9-121.9-123.0 130.4 31.4 2.5 19.8 68 96 A E E -F 88 0C 115 -2,-0.4 2,-0.7 20,-0.2 20,-0.2 -0.617 17.3-148.1 -74.2 135.9 33.2 0.2 22.1 69 97 A I B -g 85 0D 1 18,-2.4 17,-2.9 15,-0.5 18,-0.5 -0.924 18.8-173.4-109.4 109.0 35.4 1.8 24.7 70 98 A K >> - 0 0 100 -2,-0.7 3,-2.0 15,-0.2 4,-0.7 -0.716 38.7-116.1 -90.9 153.6 38.4 -0.4 25.5 71 99 A K G >4 S+ 0 0 148 -2,-0.3 3,-1.0 1,-0.3 -1,-0.1 0.862 118.4 61.8 -55.7 -30.7 41.0 0.3 28.3 72 100 A S G 34 S+ 0 0 107 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.662 94.4 64.4 -67.2 -21.6 43.5 0.7 25.4 73 101 A D G <4 S+ 0 0 37 -3,-2.0 -1,-0.3 8,-0.1 -2,-0.2 0.769 81.0 102.0 -72.4 -27.2 41.4 3.6 24.1 74 102 A L << + 0 0 48 -3,-1.0 2,-0.1 -4,-0.7 4,-0.0 -0.405 42.7 171.6 -73.0 136.4 42.0 5.8 27.2 75 103 A V - 0 0 56 -2,-0.2 3,-0.2 2,-0.0 -1,-0.1 0.108 53.2 -62.5-108.5-137.2 44.5 8.6 27.1 76 104 A N S S+ 0 0 107 1,-0.2 2,-0.9 -2,-0.1 -2,-0.0 0.979 119.2 36.0 -83.5 -53.1 45.1 11.3 29.8 77 105 A Y + 0 0 107 1,-0.1 27,-2.9 25,-0.1 28,-0.5 -0.791 65.7 136.7-110.9 92.1 42.0 13.3 30.2 78 106 A N > + 0 0 17 -2,-0.9 4,-2.2 25,-0.2 5,-0.3 -0.379 10.2 159.8-132.4 62.9 38.9 11.0 29.7 79 107 A P T 4 S+ 0 0 24 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.833 83.7 27.0 -56.9 -33.3 36.3 12.0 32.5 80 108 A I T >4 S+ 0 0 26 2,-0.2 3,-0.6 17,-0.1 4,-0.1 0.862 118.7 52.9 -99.4 -44.8 33.3 10.5 30.6 81 109 A A G >4 S+ 0 0 0 1,-0.2 3,-2.0 2,-0.2 4,-0.1 0.870 101.7 64.5 -63.2 -29.3 34.9 7.7 28.5 82 110 A E G >< S+ 0 0 119 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.881 94.7 58.7 -62.6 -31.4 36.5 6.3 31.7 83 111 A K G < S+ 0 0 151 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.468 108.5 48.6 -70.6 -1.8 33.0 5.6 33.0 84 112 A H G X + 0 0 64 -3,-2.0 3,-2.0 3,-0.1 -15,-0.5 0.161 67.3 139.7-128.5 12.7 32.4 3.3 29.9 85 113 A V B < S+g 69 0D 36 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.451 82.5 17.2 -59.3 134.4 35.5 1.0 29.6 86 114 A N T 3 S+ 0 0 134 -17,-2.9 -1,-0.3 1,-0.4 2,-0.1 0.411 124.5 72.7 79.0 -3.8 34.2 -2.5 28.6 87 115 A G S < S- 0 0 30 -3,-2.0 -18,-2.4 -18,-0.5 -1,-0.4 -0.368 82.4-107.2-116.2-158.6 30.9 -0.9 27.6 88 116 A T E -F 68 0C 41 -20,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.866 14.1-155.6-134.0 169.1 29.9 1.3 24.6 89 117 A M E -F 67 0C 2 -22,-2.0 -22,-2.7 -2,-0.3 2,-0.1 -0.985 23.2-123.5-140.8 138.4 29.1 5.0 23.8 90 118 A T E > -F 66 0C 14 -2,-0.3 4,-2.1 -24,-0.2 -24,-0.2 -0.504 30.1-110.4 -76.5 164.3 27.0 6.2 20.8 91 119 A L H > S+ 0 0 1 -26,-1.8 4,-2.7 -29,-0.4 5,-0.2 0.925 122.8 55.3 -59.8 -36.2 28.5 8.8 18.4 92 120 A A H > S+ 0 0 24 -29,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.922 108.4 47.5 -59.3 -39.2 26.0 11.4 19.9 93 121 A E H > S+ 0 0 82 -30,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.865 111.2 51.4 -71.2 -32.7 27.4 10.6 23.5 94 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.928 109.7 49.5 -68.6 -41.8 31.0 10.9 22.1 95 123 A G H X S+ 0 0 1 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.965 113.3 46.9 -58.8 -52.4 30.1 14.3 20.6 96 124 A A H X S+ 0 0 20 -4,-2.5 4,-3.2 1,-0.2 5,-0.5 0.942 113.7 46.4 -56.5 -47.7 28.6 15.5 23.9 97 125 A A H X S+ 0 0 3 -4,-2.4 6,-2.0 1,-0.2 4,-1.4 0.916 111.0 53.5 -67.3 -36.3 31.5 14.2 26.0 98 126 A A H < S+ 0 0 0 -4,-2.8 4,-0.4 4,-0.2 -1,-0.2 0.915 120.9 31.5 -64.9 -37.7 34.1 15.8 23.7 99 127 A L H < S+ 0 0 1 -4,-2.3 108,-0.2 -5,-0.2 -2,-0.2 0.936 123.3 40.4 -88.9 -43.4 32.4 19.2 23.9 100 128 A Q H < S+ 0 0 42 -4,-3.2 87,-2.1 -5,-0.3 88,-0.4 0.729 134.0 19.9 -81.7 -21.7 30.9 19.4 27.4 101 129 A Y S < S- 0 0 85 -4,-1.4 -1,-0.2 -5,-0.5 -3,-0.2 0.303 97.0-123.3-126.7 3.3 33.8 17.8 29.3 102 130 A S - 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