==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-FEB-02 1L0D . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.M.BEADLE,B.K.SHOICHET . 709 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 . 37 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.0 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 3 2 1 1 2 0 4 2 2 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 8 6 2 0 2 4 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 . 4 4 0 0 0 0 0 2 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 4 A A 0 0 85 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.0 23.5 -19.9 35.1 2 5 A P >> - 0 0 55 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.334 360.0-118.6 -56.5 142.8 24.6 -19.3 38.8 3 6 A Q H 3> S+ 0 0 145 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.820 111.2 60.3 -57.7 -33.3 21.5 -18.0 40.5 4 7 A Q H 3> S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.918 109.9 41.6 -61.2 -42.8 23.3 -14.7 41.4 5 8 A I H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.3 0.939 113.8 52.6 -70.3 -45.2 23.8 -13.9 37.7 6 9 A N H X S+ 0 0 59 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.945 113.2 45.1 -53.7 -50.6 20.3 -15.1 36.8 7 10 A D H X S+ 0 0 38 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.920 113.2 44.8 -66.0 -45.8 18.8 -12.9 39.5 8 11 A I H X S+ 0 0 33 -4,-2.4 4,-1.2 -5,-0.2 5,-0.3 0.913 115.8 49.1 -68.9 -34.9 20.7 -9.6 38.9 9 12 A V H >X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.3 3,-0.7 0.981 115.8 41.0 -66.7 -50.4 20.3 -9.9 35.2 10 13 A H H 3X S+ 0 0 65 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.916 114.4 51.2 -65.5 -38.2 16.5 -10.6 35.3 11 14 A R H 3< S+ 0 0 175 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.717 118.3 39.6 -70.0 -19.7 15.8 -8.1 38.0 12 15 A T H S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.867 111.8 55.2 -64.4 -35.4 12.1 -3.5 34.3 16 19 A L H X S+ 0 0 17 -4,-1.2 4,-2.6 1,-0.2 6,-0.2 0.950 107.7 48.5 -61.7 -47.3 14.3 -2.0 31.5 17 20 A I H X>S+ 0 0 33 -4,-2.7 5,-1.5 1,-0.2 4,-0.8 0.898 113.9 47.7 -59.3 -39.8 12.3 -3.8 28.8 18 21 A E H <5S+ 0 0 78 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.940 114.7 43.7 -67.7 -48.6 9.0 -2.6 30.4 19 22 A Q H <5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 122.3 37.6 -68.0 -35.6 10.0 1.0 30.8 20 23 A Q H <5S- 0 0 48 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.483 100.6-130.5 -95.5 -0.5 11.6 1.4 27.4 21 24 A K T <5 - 0 0 66 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.896 37.7-178.3 50.0 48.3 9.0 -0.8 25.5 22 25 A I < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.647 21.4-152.8 -77.3 126.6 11.9 -2.8 23.9 23 26 A P S S+ 0 0 29 0, 0.0 19,-2.5 0, 0.0 2,-0.3 0.905 74.2 0.8 -67.9 -39.7 10.5 -5.5 21.5 24 27 A G E +A 41 0A 2 17,-0.3 308,-1.8 19,-0.1 2,-0.3 -0.998 65.1 178.3-150.9 146.8 13.4 -7.9 21.8 25 28 A M E -AB 40 331A 0 15,-2.2 15,-2.4 -2,-0.3 2,-0.4 -0.999 11.1-165.3-150.5 146.8 16.6 -8.1 23.7 26 29 A A E -AB 39 330A 0 304,-2.4 304,-3.0 -2,-0.3 2,-0.4 -0.995 12.4-172.3-130.5 142.2 19.6 -10.4 24.2 27 30 A V E -AB 38 329A 0 11,-2.8 11,-2.3 -2,-0.4 2,-0.4 -0.986 7.8-167.2-133.1 143.1 22.2 -10.1 27.0 28 31 A A E -AB 37 328A 0 300,-2.2 300,-2.3 -2,-0.4 2,-0.5 -0.997 4.3-164.0-126.7 133.7 25.5 -11.8 27.6 29 32 A V E -AB 36 327A 0 7,-2.5 7,-2.1 -2,-0.4 2,-0.7 -0.979 7.5-154.3-114.5 129.9 27.3 -11.6 30.9 30 33 A I E +AB 35 326A 0 296,-2.9 296,-2.2 -2,-0.5 2,-0.5 -0.930 20.6 178.2-102.7 117.0 30.9 -12.8 31.0 31 34 A Y E > -A 34 0A 47 3,-2.8 3,-2.5 -2,-0.7 294,-0.2 -0.988 68.2 -14.2-127.8 124.9 31.8 -13.8 34.5 32 35 A Q T 3 S- 0 0 132 291,-0.5 -1,-0.2 -2,-0.5 293,-0.2 0.883 130.5 -56.6 51.5 38.3 35.1 -15.2 35.5 33 36 A G T 3 S+ 0 0 30 291,-1.7 -1,-0.3 1,-0.2 292,-0.1 0.279 116.1 109.0 82.3 -12.4 35.7 -15.5 31.8 34 37 A K E < -A 31 0A 38 -3,-2.5 -3,-2.8 290,-0.1 2,-0.3 -0.796 63.7-124.8-101.8 143.2 32.7 -17.7 31.0 35 38 A P E -A 30 0A 42 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.648 19.4-171.4 -91.5 142.7 29.5 -16.5 29.0 36 39 A Y E -A 29 0A 61 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.3 -0.999 15.2-150.4-129.1 128.7 25.9 -16.7 30.2 37 40 A Y E +A 28 0A 59 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.778 15.5 179.6-109.4 148.7 23.1 -15.8 27.8 38 41 A F E -A 27 0A 16 -11,-2.3 -11,-2.8 -2,-0.3 2,-0.3 -0.998 4.6-174.9-144.4 136.3 19.7 -14.3 28.2 39 42 A T E -A 26 0A 54 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.980 2.5-179.8-137.3 151.3 17.0 -13.5 25.7 40 43 A W E -A 25 0A 41 -15,-2.4 -15,-2.2 -2,-0.3 11,-0.1 -0.997 43.2 -18.9-144.8 147.3 13.5 -11.8 25.7 41 44 A G E S-A 24 0A 35 -2,-0.3 10,-2.4 -17,-0.2 2,-0.4 -0.084 87.2 -12.4 68.2-149.7 10.8 -11.0 23.3 42 45 A Y E -I 50 0B 111 -19,-2.5 3,-0.2 8,-0.3 290,-0.2 -0.799 18.2-177.4-115.4 135.6 10.8 -10.6 19.6 43 46 A A E S+ 0 0 7 6,-2.6 155,-2.7 -2,-0.4 2,-0.4 0.766 100.5 18.3 -83.5 -34.6 13.2 -10.4 16.7 44 47 A D E > -I 49 0B 20 5,-1.8 5,-2.0 153,-0.2 -1,-0.3 -0.903 68.2-169.2-141.2 107.4 10.3 -9.9 14.3 45 48 A I T > 5S+ 0 0 82 -2,-0.4 3,-0.9 -3,-0.2 -1,-0.1 0.926 86.5 48.5 -64.9 -46.9 7.0 -8.9 15.8 46 49 A A T 3 5S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.886 118.2 39.0 -63.0 -41.7 4.8 -9.5 12.8 47 50 A K T 3 5S- 0 0 152 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.325 107.4-126.2 -90.7 6.3 6.2 -13.0 12.0 48 51 A K T < 5 + 0 0 162 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.791 50.1 162.0 54.0 37.7 6.3 -13.8 15.8 49 52 A Q E < -I 44 0B 95 -5,-2.0 -6,-2.6 1,-0.0 -5,-1.8 -0.756 30.6-136.2 -91.3 125.5 10.0 -14.8 15.7 50 53 A P E -I 42 0B 71 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.376 20.4-103.5 -77.8 156.2 11.6 -14.8 19.1 51 54 A V + 0 0 5 -10,-2.4 2,-0.2 -26,-0.1 -26,-0.1 -0.640 50.3 173.7 -73.4 132.6 15.0 -13.4 20.0 52 55 A T > - 0 0 43 -2,-0.4 3,-1.4 143,-0.1 172,-0.3 -0.751 50.9 -92.5-129.6 177.4 17.4 -16.4 20.3 53 56 A Q T 3 S+ 0 0 70 1,-0.3 172,-1.0 -2,-0.2 171,-0.1 0.617 127.0 53.7 -69.6 -8.5 21.2 -16.7 20.8 54 57 A Q T 3 S+ 0 0 95 169,-0.1 -1,-0.3 170,-0.1 2,-0.1 0.389 80.3 120.7-104.2 0.9 21.5 -16.9 17.0 55 58 A T < - 0 0 3 -3,-1.4 169,-0.5 141,-0.1 2,-0.5 -0.443 58.9-134.7 -70.3 133.4 19.6 -13.6 16.3 56 59 A L B -j 196 0C 1 139,-3.4 141,-2.3 136,-0.2 2,-0.3 -0.809 23.1-173.1 -90.5 129.0 21.5 -11.0 14.4 57 60 A F E -K 222 0D 0 165,-2.5 165,-2.2 -2,-0.5 2,-0.5 -0.905 31.6-110.1-117.0 149.1 21.3 -7.4 15.8 58 61 A E E -K 221 0D 4 -2,-0.3 163,-0.2 163,-0.2 273,-0.2 -0.705 25.6-159.8 -76.2 125.1 22.7 -4.2 14.2 59 62 A L > - 0 0 0 161,-2.8 3,-1.9 -2,-0.5 256,-0.2 0.643 17.4-174.1 -81.5 -16.1 25.5 -3.1 16.4 60 63 A G G > + 0 0 0 160,-0.5 3,-2.4 158,-0.5 160,-0.4 -0.307 69.1 1.6 56.3-134.6 25.5 0.4 15.2 61 64 A D G > S+ 0 0 26 248,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.585 117.3 78.8 -65.2 -11.7 28.5 2.4 16.7 62 65 A V G X> S+ 0 0 0 -3,-1.9 3,-1.9 1,-0.3 4,-0.6 0.770 77.6 76.3 -68.3 -20.0 29.8 -0.6 18.5 63 66 A S H X> S+ 0 0 0 -3,-2.4 4,-2.0 1,-0.3 3,-0.7 0.791 78.7 72.5 -55.1 -30.2 31.1 -1.5 15.0 64 67 A K H <> S+ 0 0 0 -3,-1.4 4,-2.6 153,-0.5 -1,-0.3 0.736 86.6 62.2 -60.4 -24.2 33.8 1.1 15.7 65 68 A T H <> S+ 0 0 0 -3,-1.9 4,-2.1 202,-0.3 -1,-0.2 0.879 104.7 47.0 -68.6 -36.5 35.5 -1.3 18.2 66 69 A F H S+ 0 0 3 -4,-1.8 5,-2.2 2,-0.2 6,-1.0 0.863 110.1 49.9 -68.3 -35.2 47.5 -3.0 10.7 75 78 A I H ><5S+ 0 0 12 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.957 110.2 50.1 -66.2 -47.9 49.7 -0.9 12.9 76 79 A A H 3<5S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 107.5 54.3 -60.2 -32.9 51.1 -4.1 14.5 77 80 A R T 3<5S- 0 0 109 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.559 114.8-118.4 -76.9 -8.9 51.8 -5.5 11.0 78 81 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.663 81.8 121.3 79.1 15.6 53.8 -2.4 10.1 79 82 A E S - 0 0 59 -2,-0.3 3,-1.7 4,-0.1 22,-0.3 -0.992 18.0-136.4-131.4 139.6 51.5 4.2 11.7 82 85 A L T 3 S+ 0 0 8 -2,-0.4 22,-2.4 1,-0.3 23,-0.3 0.734 106.9 61.0 -67.1 -20.5 49.1 6.4 13.6 83 86 A S T 3 S+ 0 0 31 570,-0.3 -1,-0.3 20,-0.2 569,-0.2 0.497 83.2 108.6 -82.4 -4.9 51.7 9.1 13.4 84 87 A D S < S- 0 0 15 -3,-1.7 19,-2.2 1,-0.1 20,-0.3 -0.452 77.5-109.3 -73.7 144.7 51.5 9.1 9.6 85 88 A P B >> -M 102 0E 57 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.418 23.6-121.1 -72.3 149.8 49.8 12.0 7.8 86 89 A T H >> S+ 0 0 0 15,-2.6 3,-1.6 12,-0.3 4,-0.8 0.894 111.3 64.0 -56.3 -38.7 46.4 11.2 6.2 87 90 A T H 34 S+ 0 0 45 14,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.679 84.9 72.6 -64.1 -17.4 47.9 12.2 2.9 88 91 A K H <4 S+ 0 0 120 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.865 110.5 31.7 -64.2 -31.8 50.4 9.4 2.9 89 92 A Y H << S+ 0 0 25 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.506 130.8 35.4-102.2 -7.5 47.5 7.0 2.3 90 93 A W >< + 0 0 27 -4,-0.8 3,-1.9 3,-0.1 -1,-0.2 -0.595 62.8 172.4-145.2 77.5 45.4 9.3 0.2 91 94 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.754 74.9 69.6 -61.1 -23.1 47.6 11.5 -1.9 92 95 A E T 3 S+ 0 0 108 1,-0.2 2,-2.1 -3,-0.1 3,-0.2 0.642 74.1 92.8 -68.9 -14.4 44.7 12.9 -3.8 93 96 A L < + 0 0 2 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.1 -0.522 49.6 151.5 -81.6 79.0 43.7 14.7 -0.6 94 97 A T + 0 0 107 -2,-2.1 -1,-0.2 3,-0.0 5,-0.1 0.536 19.2 120.2 -91.7 -8.7 45.6 17.9 -1.5 95 98 A A > - 0 0 22 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.342 68.3-123.3 -63.9 140.5 43.6 20.6 0.3 96 99 A K G > S+ 0 0 72 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.693 102.3 72.2 -57.1 -27.0 45.8 22.6 2.7 97 100 A Q G 3 S+ 0 0 38 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.743 87.8 68.1 -65.9 -16.8 43.7 22.0 5.8 98 101 A W G X S+ 0 0 2 -3,-1.9 3,-2.2 2,-0.1 -12,-0.3 0.657 70.0 109.6 -78.2 -13.1 44.9 18.4 5.7 99 102 A N T < S+ 0 0 122 -3,-1.6 3,-0.1 1,-0.3 -5,-0.0 -0.425 88.0 16.3 -62.7 125.6 48.5 19.3 6.6 100 103 A G T 3 S+ 0 0 49 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.335 92.1 123.0 95.4 -11.4 49.1 18.1 10.1 101 104 A I < - 0 0 2 -3,-2.2 -15,-2.6 4,-0.0 -14,-0.3 -0.794 42.7-172.3 -90.5 114.5 46.1 15.7 10.3 102 105 A T B > -M 85 0E 22 -2,-0.7 4,-1.8 -17,-0.3 3,-0.2 -0.498 40.5-102.8-100.6 169.9 47.3 12.2 11.1 103 106 A L H > S+ 0 0 0 -19,-2.2 4,-2.8 -22,-0.3 5,-0.2 0.865 121.5 60.4 -58.9 -35.7 45.7 8.8 11.2 104 107 A L H > S+ 0 0 8 -22,-2.4 4,-1.7 -20,-0.3 6,-0.3 0.935 103.3 51.0 -56.9 -45.9 45.6 9.1 15.0 105 108 A H H 4>S+ 0 0 22 -23,-0.3 5,-2.1 1,-0.2 6,-0.7 0.917 111.4 47.0 -60.0 -41.3 43.5 12.2 14.7 106 109 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.942 112.0 50.3 -63.1 -45.1 41.0 10.4 12.4 107 110 A A H 3<5S+ 0 0 1 -4,-2.8 160,-0.6 1,-0.2 -1,-0.2 0.761 117.7 38.5 -64.6 -24.5 40.8 7.4 14.6 108 111 A T T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.192 108.7-111.6-115.3 12.8 40.1 9.4 17.8 109 112 A Y T < 5S+ 0 0 4 -3,-1.0 37,-2.2 -4,-0.4 4,-0.2 0.745 85.4 114.9 65.5 29.6 37.8 12.2 16.5 110 113 A T < + 0 0 0 -5,-2.1 32,-3.1 -6,-0.3 33,-0.4 0.121 28.9 110.4-116.4 20.4 40.4 14.9 17.0 111 114 A A S S- 0 0 2 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.680 101.8 -81.6 -70.4 -17.2 41.1 16.0 13.4 112 115 A G S S- 0 0 0 32,-0.4 26,-1.7 -3,-0.2 27,-1.5 0.640 89.8 -35.6 123.5 28.8 39.4 19.4 14.0 113 116 A G + 0 0 15 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.789 66.8 177.1 100.4 29.7 35.7 18.9 13.7 114 117 A L - 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