==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-08 2ZQD . COMPND 2 MOLECULE: BETA-LACTAMASE TOHO-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.NITANAI,T.SHIMAMURA,T.UCHIYAMA,Y.ISHII,M.TAKEHIRA, . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 15.3 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 . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 31.4 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 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 27 A N 0 0 109 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.1 8.4 -1.4 8.6 2 28 A S > - 0 0 57 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.208 360.0-112.0 -71.4 162.0 9.8 -3.3 5.6 3 29 A V H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 119.8 52.4 -56.6 -43.2 12.7 -5.7 5.6 4 30 A Q H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 109.1 48.6 -61.7 -43.9 14.7 -3.3 3.5 5 31 A Q H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 111.0 51.7 -63.3 -38.5 14.0 -0.5 6.0 6 32 A Q H X S+ 0 0 74 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 111.0 46.8 -65.8 -41.7 15.0 -2.7 8.8 7 33 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.916 111.5 50.6 -65.8 -42.7 18.3 -3.7 7.1 8 34 A E H X S+ 0 0 119 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.910 111.5 49.1 -61.4 -39.5 19.1 -0.0 6.3 9 35 A A H X S+ 0 0 58 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.905 108.9 52.5 -68.0 -40.4 18.4 0.9 9.9 10 36 A L H X S+ 0 0 18 -4,-2.4 4,-1.2 2,-0.2 3,-0.3 0.944 111.4 46.6 -57.5 -48.9 20.6 -1.9 11.1 11 37 A E H >X>S+ 0 0 20 -4,-2.7 3,-0.7 1,-0.2 5,-0.7 0.931 109.1 54.5 -59.0 -44.5 23.4 -0.7 8.9 12 38 A K H 3<5S+ 0 0 191 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.821 113.5 42.5 -58.5 -34.1 22.9 3.0 10.1 13 39 A S H 3<5S+ 0 0 94 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.652 103.0 72.8 -81.4 -19.2 23.3 1.8 13.7 14 40 A S H <<5S- 0 0 6 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.2 0.670 89.6-133.9 -77.0 -23.3 26.2 -0.4 13.0 15 41 A G T <5S+ 0 0 53 -4,-0.7 2,-0.2 -3,-0.3 -3,-0.1 0.747 80.5 51.2 67.4 25.2 29.0 2.0 12.3 16 42 A G S >> -AB 230 29A 14 5,-3.0 4,-1.7 -2,-0.5 3,-1.0 -0.872 2.1-161.8 -94.3 109.6 14.4 -18.4 -0.3 25 51 A T T 345S+ 0 0 30 204,-2.1 -1,-0.1 -2,-0.8 205,-0.1 0.571 78.9 79.5 -74.9 -4.1 14.4 -21.6 -2.2 26 52 A A T 345S- 0 0 67 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.923 125.0 -4.2 -60.3 -41.8 10.6 -22.0 -1.8 27 53 A D T <45S- 0 0 99 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.241 96.6-108.8-139.7 7.9 10.1 -19.5 -4.6 28 54 A N T <5 + 0 0 117 -4,-1.7 -3,-0.2 1,-0.2 2,-0.0 0.608 68.4 151.2 68.1 13.4 13.6 -18.3 -5.6 29 55 A S E < -B 24 0A 51 -5,-0.7 -5,-3.0 -6,-0.1 2,-0.3 -0.316 29.8-149.3 -72.1 160.4 12.8 -14.9 -4.0 30 56 A Q E -B 23 0A 86 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.964 21.8-153.4-136.4 147.3 15.6 -12.8 -2.5 31 57 A I E -B 22 0A 29 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.991 33.8-175.2-118.1 110.5 16.2 -10.3 0.2 32 59 A L E +B 21 0A 55 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.946 19.7 170.5-118.5 132.5 19.2 -8.2 -1.0 33 60 A Y E S-B 20 0A 19 -13,-2.7 -13,-2.2 -2,-0.4 4,-0.1 -0.936 83.2 -24.0-143.3 114.3 21.2 -5.4 0.6 34 61 A R S > S+ 0 0 98 -2,-0.4 3,-1.6 -15,-0.2 123,-0.1 0.837 89.3 154.2 50.6 36.1 24.4 -4.1 -1.0 35 62 A A T 3 + 0 0 7 1,-0.3 122,-2.1 -15,-0.2 123,-0.6 0.628 63.7 48.7 -76.1 -12.2 24.4 -7.5 -2.6 36 63 A D T 3 S+ 0 0 130 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.287 92.7 100.0-105.5 8.6 26.4 -6.5 -5.7 37 64 A E S < S- 0 0 67 -3,-1.6 2,-0.2 -4,-0.1 120,-0.1 -0.707 76.4-112.3 -94.5 150.5 29.0 -4.8 -3.7 38 65 A R + 0 0 98 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.541 34.3 175.2 -84.7 139.7 32.3 -6.3 -2.9 39 66 A F E -E 154 0B 2 115,-2.6 115,-1.9 -2,-0.2 2,-0.3 -0.988 40.9 -99.8-135.6 147.8 33.4 -7.4 0.6 40 67 A A E -E 153 0B 13 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.527 29.2-152.3 -62.9 126.0 36.5 -9.2 1.7 41 68 A M > - 0 0 0 111,-2.4 3,-1.9 -2,-0.3 -1,-0.2 0.750 22.1-179.0 -70.2 -29.3 35.5 -12.9 2.2 42 69 A C G > S- 0 0 0 110,-0.6 3,-2.0 100,-0.5 -1,-0.2 -0.256 70.6 -12.8 49.4-140.0 38.1 -13.6 4.9 43 70 A S G > S+ 0 0 8 1,-0.3 3,-1.8 167,-0.2 4,-0.3 0.569 120.5 83.4 -72.3 -4.3 37.8 -17.3 5.9 44 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.3 4,-0.4 0.772 78.2 72.6 -64.1 -20.6 34.4 -17.7 4.2 45 72 A S G X> S+ 0 0 1 -3,-2.0 4,-1.4 1,-0.2 3,-0.6 0.677 75.9 80.4 -63.6 -16.9 36.6 -18.3 1.1 46 73 A K H <> S+ 0 0 1 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.805 81.2 64.5 -63.3 -28.3 37.5 -21.7 2.6 47 74 A V H <> S+ 0 0 2 -3,-1.4 4,-2.5 -4,-0.3 -1,-0.2 0.925 102.3 48.5 -58.6 -43.0 34.2 -23.2 1.4 48 75 A M H <> S+ 0 0 1 -3,-0.6 4,-2.0 -4,-0.4 -1,-0.2 0.892 112.1 47.9 -66.2 -40.4 35.4 -22.6 -2.2 49 76 A A H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.926 113.8 46.4 -66.5 -45.2 38.8 -24.2 -1.6 50 77 A A H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 112.7 50.7 -62.0 -43.1 37.3 -27.3 0.1 51 78 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.866 105.0 57.0 -64.2 -34.7 34.7 -27.6 -2.6 52 79 A A H X S+ 0 0 4 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.890 108.5 46.7 -63.6 -39.3 37.4 -27.4 -5.4 53 80 A V H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.917 110.2 53.1 -68.1 -41.2 39.1 -30.4 -3.8 54 81 A L H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.919 106.7 53.2 -58.0 -42.6 35.7 -32.2 -3.5 55 82 A K H >X S+ 0 0 66 -4,-2.6 3,-1.1 1,-0.2 4,-0.5 0.936 108.3 49.5 -58.0 -47.0 35.2 -31.6 -7.2 56 83 A Q H >< S+ 0 0 71 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.894 103.6 61.5 -57.5 -38.0 38.6 -33.2 -8.0 57 84 A S H >< S+ 0 0 7 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.706 86.1 74.6 -66.6 -19.1 37.6 -36.2 -5.8 58 85 A E H << S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.873 108.8 31.4 -53.2 -40.0 34.7 -36.9 -8.2 59 86 A S T << S+ 0 0 111 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 0.214 118.6 56.3-110.5 11.6 37.3 -38.3 -10.7 60 87 A D X - 0 0 65 -3,-0.8 3,-1.6 -4,-0.3 4,-0.4 -0.803 60.2-169.5-146.1 98.7 39.9 -39.6 -8.3 61 88 A K T 3 S+ 0 0 177 -2,-0.3 4,-0.1 1,-0.3 -4,-0.1 0.579 87.5 51.2 -71.0 -9.6 38.6 -42.1 -5.8 62 89 A H T 3 S+ 0 0 121 1,-0.1 3,-0.3 2,-0.1 4,-0.3 0.448 85.1 91.6-100.2 -3.7 41.8 -42.0 -3.7 63 90 A L S X S+ 0 0 5 -3,-1.6 3,-1.8 1,-0.2 29,-0.5 0.907 79.4 51.8 -64.0 -48.5 42.0 -38.3 -3.3 64 91 A L T 3 S+ 0 0 34 -4,-0.4 29,-2.7 1,-0.3 30,-0.4 0.820 113.4 46.7 -64.5 -27.7 40.2 -37.6 -0.1 65 92 A N T 3 S+ 0 0 131 -3,-0.3 -1,-0.3 27,-0.2 -2,-0.2 0.378 82.9 127.4 -91.5 5.7 42.3 -40.2 1.7 66 93 A Q < - 0 0 85 -3,-1.8 26,-1.5 -4,-0.3 2,-0.2 -0.430 62.0-121.3 -64.7 128.0 45.6 -38.9 0.3 67 94 A R E -F 91 0C 187 24,-0.2 2,-0.4 -2,-0.2 24,-0.2 -0.503 23.8-165.6 -70.0 139.5 48.1 -38.1 3.0 68 95 A V E -F 90 0C 24 22,-2.2 22,-2.1 -2,-0.2 2,-0.3 -0.996 20.0-128.3-127.1 124.4 49.5 -34.6 3.4 69 96 A E E -F 89 0C 92 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.582 17.9-151.5 -73.0 132.7 52.6 -34.1 5.6 70 97 A I - 0 0 0 18,-2.5 17,-2.7 15,-0.4 2,-0.3 -0.933 17.2-175.6-108.4 122.8 52.2 -31.4 8.2 71 98 A K > - 0 0 101 -2,-0.5 3,-2.0 15,-0.2 4,-0.4 -0.809 39.6-112.6-115.7 157.3 55.4 -29.6 9.2 72 99 A K G > S+ 0 0 167 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.892 116.9 61.6 -52.3 -39.9 56.2 -27.0 11.9 73 100 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.630 93.3 65.4 -65.0 -14.8 56.8 -24.5 9.1 74 101 A D G < S+ 0 0 41 -3,-2.0 -1,-0.3 8,-0.1 -2,-0.2 0.614 78.2 104.3 -79.4 -18.1 53.2 -24.9 7.9 75 102 A L < + 0 0 52 -3,-1.8 2,-0.1 -4,-0.4 4,-0.1 -0.465 45.0 168.2 -69.8 141.1 51.8 -23.4 11.0 76 103 A V - 0 0 55 -2,-0.1 3,-0.2 64,-0.0 -1,-0.1 -0.015 54.9 -49.0-124.2-135.2 50.5 -19.8 10.7 77 104 A N S S+ 0 0 106 1,-0.3 2,-0.3 -2,-0.1 -2,-0.1 0.676 123.7 17.9 -84.4 -19.7 48.5 -17.5 13.0 78 105 A Y + 0 0 125 1,-0.0 27,-2.4 25,-0.0 28,-0.5 -0.853 66.4 138.0-158.8 110.7 45.6 -19.9 13.8 79 106 A N > + 0 0 12 -2,-0.3 4,-2.1 25,-0.2 5,-0.2 -0.337 7.6 161.5-158.9 60.6 45.8 -23.7 13.4 80 107 A P T 4 S+ 0 0 31 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.755 82.5 36.9 -66.4 -24.1 44.3 -25.6 16.3 81 108 A I T >4 S+ 0 0 24 2,-0.1 3,-1.4 17,-0.1 4,-0.4 0.890 114.7 50.6 -91.7 -49.3 43.9 -28.8 14.4 82 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.848 101.9 63.2 -58.3 -33.6 47.0 -28.8 12.2 83 110 A E G >< S+ 0 0 112 -4,-2.1 3,-0.7 1,-0.3 -1,-0.3 0.797 96.3 59.4 -65.8 -22.9 49.2 -28.2 15.2 84 111 A K G < S+ 0 0 148 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.617 108.5 46.5 -71.3 -15.6 48.1 -31.5 16.7 85 112 A H G X S+ 0 0 70 -3,-1.9 3,-2.5 -4,-0.4 -15,-0.4 0.272 72.9 140.4-118.5 9.8 49.5 -33.2 13.6 86 113 A V T < S+ 0 0 35 -3,-0.7 -15,-0.2 -4,-0.3 3,-0.1 -0.331 78.7 18.9 -57.9 135.2 53.0 -31.7 13.1 87 114 A N T 3 S+ 0 0 137 -17,-2.7 -1,-0.3 1,-0.4 2,-0.1 0.267 123.2 70.6 79.4 -5.4 55.5 -34.3 12.1 88 115 A G S < S- 0 0 30 -3,-2.5 -18,-2.5 -18,-0.3 -1,-0.4 -0.319 83.7 -99.0-115.5-160.9 52.5 -36.6 11.0 89 116 A T E -F 69 0C 43 -20,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.886 17.8-162.7-123.4 159.1 50.0 -36.5 8.2 90 117 A M E -F 68 0C 3 -22,-2.1 -22,-2.2 -2,-0.3 2,-0.1 -0.978 27.3-119.9-129.2 147.7 46.4 -35.5 7.7 91 118 A T E > -F 67 0C 23 -2,-0.3 4,-2.3 -24,-0.2 -24,-0.2 -0.431 27.7-109.7 -78.5 163.3 44.3 -36.6 4.8 92 119 A L H > S+ 0 0 1 -26,-1.5 4,-2.5 -29,-0.5 -27,-0.2 0.896 122.7 53.4 -58.0 -38.5 42.8 -34.1 2.3 93 120 A A H > S+ 0 0 20 -29,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.919 108.0 49.3 -60.8 -43.9 39.4 -35.0 3.8 94 121 A E H > S+ 0 0 101 -30,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.858 110.6 51.0 -63.8 -35.0 40.7 -34.2 7.3 95 122 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.896 109.0 50.7 -69.7 -39.0 42.1 -30.9 6.0 96 123 A G H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.942 112.6 47.2 -57.9 -48.3 38.7 -30.1 4.5 97 124 A A H X S+ 0 0 22 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.917 114.0 46.5 -61.1 -43.9 37.1 -30.8 7.8 98 125 A A H X S+ 0 0 4 -4,-2.3 6,-1.8 2,-0.2 4,-1.6 0.917 112.7 49.4 -67.3 -43.5 39.6 -28.8 9.8 99 126 A A H X S+ 0 0 0 -4,-2.7 4,-0.6 4,-0.2 -1,-0.2 0.926 121.5 34.4 -58.6 -47.2 39.4 -25.8 7.4 100 127 A L H < S+ 0 0 1 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.892 124.3 37.5 -79.4 -40.6 35.7 -25.7 7.5 101 128 A Q H < S+ 0 0 37 -4,-3.0 87,-2.2 -5,-0.3 88,-0.3 0.708 134.8 19.0 -92.0 -20.3 34.8 -26.8 11.0 102 129 A Y H < S- 0 0 92 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.2 0.385 96.0-122.6-122.2 -6.4 37.6 -25.0 13.0 103 130 A S < - 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