==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-SEP-02 1IYS . COMPND 2 MOLECULE: BETA-LACTAMASE TOHO-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.S.IBUKA,Y.ISHII,K.YAMAGUCHI,H.MATSUZAWA,H.SAKAI . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 70.9 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 . 39 14.9 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 30.3 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 4 0 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 2 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 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 0 162 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 114.3 -3.8 8.5 25.6 2 28 A S > - 0 0 56 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.244 360.0-102.2 -72.7 167.3 -2.2 10.2 22.5 3 29 A V H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.893 125.4 52.4 -58.3 -39.6 -1.5 13.9 22.5 4 30 A Q H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 108.9 49.0 -63.4 -40.9 -4.6 14.4 20.4 5 31 A Q H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 109.8 52.3 -67.2 -35.6 -6.7 12.5 22.9 6 32 A Q H X S+ 0 0 71 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.879 110.1 47.9 -68.2 -38.4 -5.3 14.5 25.8 7 33 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.904 112.0 49.1 -69.3 -40.5 -6.1 17.8 24.1 8 34 A E H X S+ 0 0 123 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 112.2 49.3 -64.6 -40.5 -9.7 16.6 23.3 9 35 A A H X S+ 0 0 54 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.915 110.2 51.0 -63.6 -43.2 -10.0 15.5 26.9 10 36 A L H X S+ 0 0 24 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.921 112.4 46.1 -60.4 -45.4 -8.7 18.9 28.2 11 37 A E H X>S+ 0 0 21 -4,-2.4 4,-0.9 1,-0.2 5,-0.7 0.902 105.5 60.0 -65.0 -42.3 -11.2 20.8 26.0 12 38 A K H <5S+ 0 0 175 -4,-2.5 3,-0.2 1,-0.2 -1,-0.2 0.864 113.3 37.2 -55.0 -39.1 -14.2 18.6 26.9 13 39 A S H <5S+ 0 0 91 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.671 103.2 75.4 -87.1 -18.1 -13.8 19.6 30.6 14 40 A S H <5S- 0 0 4 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.750 90.6-133.7 -66.4 -30.4 -12.8 23.2 29.9 15 41 A G T <5S+ 0 0 51 -4,-0.9 2,-0.2 1,-0.3 -3,-0.1 0.703 76.2 69.3 80.5 18.7 -16.2 24.5 29.0 16 42 A G S >> -AB 230 29A 13 5,-2.9 4,-1.8 -2,-0.5 3,-1.2 -0.855 5.2-161.3 -93.7 105.7 8.7 21.7 16.1 25 51 A T T 345S+ 0 0 41 204,-1.9 -1,-0.1 -2,-0.9 205,-0.1 0.546 79.1 80.4 -68.7 -2.9 11.4 23.5 14.1 26 52 A A T 345S- 0 0 67 203,-0.3 -1,-0.2 202,-0.2 204,-0.1 0.900 125.6 -7.3 -68.0 -39.1 13.6 20.4 14.4 27 53 A D T <45S- 0 0 107 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.196 96.0-109.7-140.6 11.9 11.7 18.8 11.5 28 54 A N T <5 + 0 0 95 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.675 66.6 153.7 63.3 17.8 8.8 21.2 10.9 29 55 A S E < -B 24 0A 51 -5,-0.8 -5,-2.9 -6,-0.1 2,-0.3 -0.387 28.1-150.2 -72.4 157.8 6.5 18.6 12.4 30 56 A Q E -B 23 0A 78 -7,-0.2 2,-0.5 -3,-0.1 -7,-0.2 -0.954 22.0-152.4-137.3 153.7 3.3 19.9 13.9 31 57 A I E -B 22 0A 35 -9,-2.0 -9,-2.3 -2,-0.3 2,-0.4 -0.986 30.7-175.0-121.8 114.6 0.7 19.2 16.6 32 59 A L E +B 21 0A 55 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.929 21.0 171.6-121.9 139.5 -2.7 20.7 15.7 33 60 A Y E S-B 20 0A 18 -13,-2.5 -13,-2.8 -2,-0.4 4,-0.1 -0.909 86.6 -24.9-143.8 110.2 -6.0 21.0 17.4 34 61 A R S > S+ 0 0 100 -2,-0.3 3,-1.7 -15,-0.2 123,-0.1 0.822 89.0 154.9 52.6 32.1 -8.7 23.2 15.7 35 62 A A T 3 + 0 0 5 1,-0.3 122,-2.2 -15,-0.2 123,-0.5 0.595 65.3 50.3 -66.5 -12.9 -5.7 24.9 14.2 36 63 A D T 3 S+ 0 0 124 120,-0.1 2,-0.3 119,-0.1 -1,-0.3 0.271 89.7 102.1-108.1 8.9 -7.7 26.1 11.2 37 64 A E S < S- 0 0 64 -3,-1.7 2,-0.2 -4,-0.1 120,-0.1 -0.714 75.0-114.6 -93.9 143.8 -10.5 27.6 13.2 38 65 A R + 0 0 96 -2,-0.3 2,-0.3 117,-0.2 117,-0.2 -0.541 33.5 177.7 -81.1 142.7 -10.7 31.3 13.8 39 66 A F E -E 154 0B 2 115,-2.4 115,-1.6 -2,-0.2 2,-0.4 -0.978 39.7-100.8-138.5 148.3 -10.3 32.9 17.2 40 67 A A E -E 153 0B 13 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.580 30.3-151.1 -70.4 126.8 -10.3 36.6 18.3 41 68 A M > + 0 0 0 111,-2.3 3,-2.1 -2,-0.4 -1,-0.2 0.810 23.4 176.6 -70.2 -31.9 -6.6 37.5 18.7 42 69 A C G > S- 0 0 0 110,-0.5 3,-2.0 100,-0.5 4,-0.2 -0.304 72.8 -8.7 54.3-141.5 -7.2 40.2 21.3 43 70 A S G > S+ 0 0 7 167,-0.3 3,-1.6 1,-0.3 4,-0.3 0.586 121.1 80.0 -62.4 -9.6 -3.7 41.4 22.4 44 71 A T G X S+ 0 0 0 -3,-2.1 3,-1.2 1,-0.3 4,-0.4 0.755 81.8 70.2 -68.6 -16.3 -1.8 38.7 20.5 45 72 A S G X> S+ 0 0 1 -3,-2.0 4,-1.5 1,-0.3 3,-0.6 0.686 78.1 79.3 -70.3 -17.1 -2.4 41.0 17.5 46 73 A K H <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.794 82.4 63.8 -60.1 -29.1 0.0 43.5 19.1 47 74 A V H <> S+ 0 0 2 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.2 0.910 102.1 49.2 -62.9 -39.8 2.9 41.4 17.8 48 75 A M H <> S+ 0 0 1 -3,-0.6 4,-1.8 -4,-0.4 -1,-0.2 0.893 111.5 48.2 -67.2 -39.9 1.8 42.1 14.2 49 76 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.916 113.7 46.2 -67.0 -43.4 1.5 45.8 14.7 50 77 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.914 113.1 50.3 -65.2 -40.9 5.0 46.0 16.4 51 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.844 104.9 57.8 -65.6 -34.0 6.5 43.9 13.7 52 79 A A H X S+ 0 0 4 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.891 108.4 46.0 -63.7 -39.3 5.0 46.1 11.0 53 80 A V H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.880 110.1 54.0 -70.9 -37.3 6.8 49.1 12.5 54 81 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.905 106.5 52.6 -63.1 -38.9 10.0 47.0 12.8 55 82 A K H >< S+ 0 0 65 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.922 108.4 50.2 -62.2 -42.7 9.7 46.3 9.0 56 83 A Q H >< S+ 0 0 73 -4,-1.7 3,-1.7 1,-0.2 4,-0.4 0.892 102.8 61.4 -61.6 -38.8 9.4 50.0 8.3 57 84 A S H 3< S+ 0 0 10 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.682 86.7 74.6 -63.0 -18.5 12.5 50.7 10.4 58 85 A E T << S+ 0 0 76 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.791 109.6 29.8 -64.1 -27.7 14.5 48.5 8.0 59 86 A S S < S+ 0 0 113 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.291 119.7 57.2-114.3 6.6 14.3 51.4 5.5 60 87 A D > - 0 0 63 -3,-0.5 3,-1.7 -4,-0.4 4,-0.4 -0.798 59.4-171.9-141.0 93.7 14.1 54.3 7.9 61 88 A K T 3 S+ 0 0 184 -2,-0.3 4,-0.1 1,-0.3 -4,-0.1 0.569 87.0 51.1 -63.5 -10.1 17.1 54.4 10.4 62 89 A H T 3 S+ 0 0 128 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.440 86.1 89.8-106.7 -1.1 15.4 57.2 12.4 63 90 A L S X S+ 0 0 4 -3,-1.7 3,-1.9 1,-0.2 29,-0.5 0.929 79.7 52.4 -63.5 -52.9 12.0 55.6 12.9 64 91 A L T 3 S+ 0 0 37 -4,-0.4 29,-2.4 1,-0.3 30,-0.4 0.802 113.7 44.9 -58.4 -29.8 12.4 53.6 16.1 65 92 A N T 3 S+ 0 0 116 -3,-0.2 -1,-0.3 26,-0.2 -2,-0.2 0.371 83.9 128.2 -95.4 6.5 13.7 56.7 18.0 66 93 A Q < - 0 0 84 -3,-1.9 26,-1.2 -4,-0.2 2,-0.2 -0.409 62.6-119.0 -64.9 131.1 11.0 58.9 16.5 67 94 A R E -F 91 0C 172 24,-0.2 2,-0.5 -2,-0.2 24,-0.2 -0.525 26.0-166.7 -73.9 140.2 9.1 60.8 19.2 68 95 A V E -F 90 0C 25 22,-1.9 22,-2.2 -2,-0.2 2,-0.3 -0.993 20.0-128.1-131.2 123.3 5.4 60.3 19.7 69 96 A E E -F 89 0C 139 -2,-0.5 2,-0.6 20,-0.2 20,-0.2 -0.525 16.4-151.1 -74.5 132.0 3.4 62.7 21.8 70 97 A I - 0 0 2 18,-2.5 17,-2.6 15,-0.4 18,-0.4 -0.916 16.8-174.2-106.2 118.3 1.2 61.1 24.5 71 98 A K >> - 0 0 89 -2,-0.6 3,-1.6 15,-0.2 4,-0.6 -0.746 37.9-116.1-109.6 157.9 -1.9 63.1 25.4 72 99 A K G >4 S+ 0 0 164 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.871 117.1 60.1 -58.7 -35.3 -4.5 62.4 28.1 73 100 A S G 34 S+ 0 0 98 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.665 94.6 64.6 -67.3 -16.8 -7.1 61.9 25.4 74 101 A D G <4 S+ 0 0 31 -3,-1.6 -1,-0.2 8,-0.1 -2,-0.2 0.745 79.2 103.4 -77.6 -24.7 -5.0 59.0 24.0 75 102 A L << + 0 0 51 -3,-1.1 2,-0.1 -4,-0.6 4,-0.1 -0.352 45.8 172.0 -63.9 134.1 -5.5 56.9 27.1 76 103 A V - 0 0 51 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.088 53.9 -50.2-113.0-131.9 -8.0 54.1 26.8 77 104 A N S S+ 0 0 102 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.635 123.2 26.4 -89.4 -14.9 -8.9 51.2 29.2 78 105 A Y + 0 0 121 1,-0.0 27,-2.6 25,-0.0 28,-0.6 -0.788 61.9 148.8-151.1 103.2 -5.5 49.8 30.0 79 106 A N > + 0 0 18 -2,-0.3 4,-2.0 25,-0.2 5,-0.2 -0.427 2.6 157.8-136.2 61.2 -2.4 52.0 29.9 80 107 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.824 86.1 23.5 -54.6 -36.8 0.2 50.9 32.5 81 108 A I T >4 S+ 0 0 24 2,-0.1 3,-1.5 17,-0.1 4,-0.4 0.866 119.6 55.4 -97.2 -47.4 3.1 52.5 30.7 82 109 A A G >4 S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.852 99.8 61.7 -55.8 -38.5 1.5 55.2 28.5 83 110 A E G >< S+ 0 0 115 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.764 96.4 61.2 -62.0 -23.0 -0.2 56.8 31.5 84 111 A K G < S+ 0 0 150 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.660 107.3 46.0 -75.7 -15.4 3.3 57.5 33.0 85 112 A H G X S+ 0 0 70 -3,-1.8 3,-2.3 -4,-0.4 -15,-0.4 0.211 72.5 142.5-115.3 15.8 4.1 59.6 29.9 86 113 A V T < S+ 0 0 38 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.314 78.1 18.6 -58.6 139.4 1.1 61.9 29.5 87 114 A N T 3 S+ 0 0 158 -17,-2.6 -1,-0.3 1,-0.3 2,-0.1 0.368 123.4 73.3 77.9 -3.3 2.2 65.4 28.4 88 115 A G S < S- 0 0 29 -3,-2.3 -18,-2.5 -18,-0.4 -1,-0.3 -0.354 83.0-100.5-119.0-159.4 5.5 63.9 27.3 89 116 A T E -F 69 0C 53 -20,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.908 16.7-162.1-131.6 159.7 6.7 61.6 24.5 90 117 A M E -F 68 0C 2 -22,-2.2 -22,-1.9 -2,-0.3 2,-0.1 -0.986 26.0-122.7-135.3 140.7 7.5 58.0 23.9 91 118 A T E > -F 67 0C 10 -2,-0.3 4,-2.0 -24,-0.2 -24,-0.2 -0.400 28.9-109.0 -79.8 164.5 9.6 56.7 20.9 92 119 A L H > S+ 0 0 1 -26,-1.2 4,-2.2 -29,-0.5 -27,-0.2 0.866 122.3 53.8 -61.5 -33.6 8.1 54.2 18.6 93 120 A A H > S+ 0 0 18 -29,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.925 107.9 49.2 -65.4 -43.5 10.5 51.6 20.0 94 121 A E H > S+ 0 0 96 -30,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.839 110.6 51.0 -64.8 -32.6 9.3 52.4 23.5 95 122 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.881 109.0 50.7 -71.9 -37.5 5.7 52.0 22.3 96 123 A G H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.937 112.2 47.5 -63.6 -43.8 6.5 48.7 20.8 97 124 A A H X S+ 0 0 21 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.904 113.3 47.3 -63.4 -43.0 8.1 47.6 24.1 98 125 A A H X S+ 0 0 3 -4,-2.3 6,-1.8 2,-0.2 4,-1.5 0.902 112.3 49.7 -66.3 -41.9 5.1 48.8 26.1 99 126 A A H < S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.918 121.1 34.2 -63.5 -44.0 2.6 47.1 23.8 100 127 A L H < S+ 0 0 1 -4,-2.3 108,-0.3 -5,-0.2 -2,-0.2 0.908 123.8 38.3 -81.3 -43.2 4.4 43.8 23.9 101 128 A Q H < S+ 0 0 38 -4,-3.0 87,-2.0 -5,-0.3 88,-0.3 0.690 135.4 18.2 -85.5 -18.2 5.8 43.6 27.4 102 129 A Y S < S- 0 0 95 -4,-1.5 -3,-0.2 -5,-0.4 -1,-0.1 0.365 96.7-123.1-128.6 -1.4 2.9 45.1 29.3 103 130 A S - 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