==== 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 1L0E . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.M.BEADLE,B.K.SHOICHET . 716 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 19.0 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 . 39 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.8 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 1 3 2 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 . 3 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 . 3 9 6 2 0 1 5 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 . 5 3 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 93 0, 0.0 5,-0.1 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 133.5 23.4 -20.4 35.4 2 5 A P >> - 0 0 51 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.234 360.0-128.9 -48.6 132.5 24.4 -19.2 38.9 3 6 A Q H 3> S+ 0 0 145 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.850 106.1 61.6 -56.8 -34.1 21.2 -17.9 40.5 4 7 A Q H 3> S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.928 109.6 40.8 -57.3 -45.6 23.0 -14.6 41.5 5 8 A I H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 5,-0.3 0.956 115.4 51.7 -66.2 -51.1 23.6 -13.8 37.7 6 9 A N H X S+ 0 0 58 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.948 113.2 45.4 -50.1 -53.1 20.1 -15.1 36.8 7 10 A D H X S+ 0 0 37 -4,-3.6 4,-2.9 1,-0.2 5,-0.3 0.942 113.7 44.0 -60.7 -53.4 18.5 -12.9 39.4 8 11 A I H X S+ 0 0 33 -4,-2.4 4,-1.4 -5,-0.2 5,-0.3 0.922 115.4 50.6 -61.9 -41.5 20.4 -9.5 38.9 9 12 A V H >X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.3 3,-0.7 0.988 116.5 38.3 -59.9 -58.8 20.0 -9.9 35.1 10 13 A H H 3X S+ 0 0 66 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.910 115.8 52.5 -58.7 -42.2 16.2 -10.6 35.1 11 14 A R H 3< S+ 0 0 174 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.734 118.8 37.6 -67.5 -20.4 15.5 -8.1 37.9 12 15 A T H S+ 0 0 59 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.856 113.0 55.2 -66.7 -35.0 11.8 -3.4 34.0 16 19 A L H X S+ 0 0 15 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.971 109.1 45.0 -61.0 -53.5 14.1 -1.9 31.3 17 20 A I H X>S+ 0 0 31 -4,-2.9 5,-1.5 1,-0.2 4,-1.0 0.920 116.2 48.7 -57.2 -43.6 12.2 -3.7 28.6 18 21 A E H ><5S+ 0 0 132 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.962 114.4 42.6 -63.5 -52.6 9.0 -2.7 30.1 19 22 A Q H 3<5S+ 0 0 132 -4,-3.7 -2,-0.2 1,-0.2 -1,-0.2 0.873 121.9 39.2 -64.1 -35.0 9.8 1.0 30.6 20 23 A Q H 3<5S- 0 0 47 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.484 100.9-129.8 -92.6 -2.4 11.5 1.4 27.2 21 24 A K T <<5 - 0 0 170 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.919 38.6-179.4 53.7 47.3 8.9 -0.8 25.2 22 25 A I < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.664 23.2-151.2 -80.5 127.4 11.8 -2.8 23.7 23 26 A P S S- 0 0 28 0, 0.0 19,-2.5 0, 0.0 2,-0.3 0.892 73.7 -1.8 -65.9 -42.2 10.4 -5.5 21.3 24 27 A G E +A 41 0A 1 17,-0.3 314,-1.6 19,-0.1 2,-0.3 -0.998 63.2 178.8-150.6 153.4 13.3 -7.9 21.7 25 28 A M E -AB 40 337A 0 15,-2.2 15,-2.7 -2,-0.3 2,-0.4 -0.996 12.2-162.2-157.3 148.6 16.6 -8.1 23.5 26 29 A A E -AB 39 336A 0 310,-2.2 310,-2.7 -2,-0.3 2,-0.4 -0.984 13.8-171.5-131.4 139.4 19.5 -10.5 24.1 27 30 A V E -AB 38 335A 0 11,-2.9 11,-2.6 -2,-0.4 2,-0.4 -0.993 6.8-169.9-134.8 140.0 22.0 -10.1 27.0 28 31 A A E -AB 37 334A 0 306,-2.0 306,-1.9 -2,-0.4 2,-0.5 -0.998 4.7-163.7-127.4 132.4 25.3 -11.9 27.7 29 32 A V E -AB 36 333A 0 7,-2.7 7,-2.1 -2,-0.4 2,-0.6 -0.981 7.6-153.7-113.9 131.6 27.1 -11.7 31.0 30 33 A I E +AB 35 332A 0 302,-2.6 302,-2.2 -2,-0.5 2,-0.5 -0.912 20.6 177.1-101.4 120.4 30.8 -12.8 31.0 31 34 A Y E > -AB 34 331A 48 3,-2.6 3,-1.7 -2,-0.6 300,-0.2 -0.978 68.8 -15.6-131.5 118.0 31.6 -13.8 34.6 32 35 A Q T 3 S- 0 0 131 298,-0.7 299,-0.2 297,-0.5 -1,-0.1 0.892 130.3 -54.3 56.4 38.7 35.0 -15.3 35.5 33 36 A G T 3 S+ 0 0 34 297,-1.6 -1,-0.3 1,-0.2 298,-0.1 0.526 116.2 106.4 78.8 3.1 35.5 -15.8 31.8 34 37 A K E < -A 31 0A 140 -3,-1.7 -3,-2.6 2,-0.0 2,-0.3 -0.928 63.4-127.3-116.2 143.8 32.4 -17.8 31.0 35 38 A P E -A 30 0A 38 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.670 16.7-167.2 -94.5 146.2 29.3 -16.5 29.2 36 39 A Y E -A 29 0A 50 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.3 -0.998 14.5-148.1-128.7 128.9 25.8 -16.6 30.3 37 40 A Y E +A 28 0A 63 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.782 17.5 175.5-106.6 145.8 22.9 -15.8 27.9 38 41 A F E -A 27 0A 14 -11,-2.6 -11,-2.9 -2,-0.3 2,-0.3 -0.993 5.2-177.4-141.1 140.8 19.5 -14.3 28.3 39 42 A T E -A 26 0A 52 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.990 1.5-178.4-141.6 152.6 16.8 -13.4 25.6 40 43 A W E -A 25 0A 40 -15,-2.7 -15,-2.2 -2,-0.3 -2,-0.0 -0.991 43.3 -13.9-145.8 150.0 13.4 -11.8 25.6 41 44 A G E S-A 24 0A 35 -2,-0.3 10,-2.2 -17,-0.2 2,-0.4 -0.119 88.2 -18.2 70.1-152.9 10.7 -10.9 23.2 42 45 A Y E -I 50 0B 111 -19,-2.5 3,-0.2 8,-0.3 296,-0.2 -0.848 18.2-173.0-114.8 135.2 10.7 -10.7 19.4 43 46 A A E S+ 0 0 7 6,-2.4 155,-2.6 -2,-0.4 2,-0.4 0.751 101.2 19.6 -80.9 -34.1 13.2 -10.5 16.7 44 47 A D E > -I 49 0B 20 5,-2.0 5,-1.7 153,-0.2 4,-0.4 -0.899 67.4-169.3-142.7 106.7 10.2 -10.0 14.3 45 48 A I T > 5S+ 0 0 81 -2,-0.4 3,-1.3 -3,-0.2 -1,-0.1 0.959 86.8 48.6 -61.7 -53.1 6.9 -8.9 15.7 46 49 A A T 3 5S+ 0 0 83 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.897 120.2 37.2 -56.9 -44.8 4.7 -9.5 12.6 47 50 A K T 3 5S- 0 0 151 2,-0.1 -1,-0.3 -4,-0.0 -2,-0.2 0.355 106.0-127.8 -90.2 6.8 6.1 -13.0 12.0 48 51 A K T < 5 + 0 0 152 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.800 48.1 162.6 50.1 38.2 6.3 -13.8 15.8 49 52 A Q E < -I 44 0B 98 -5,-1.7 -6,-2.4 1,-0.0 -5,-2.0 -0.764 31.0-136.4 -87.1 124.4 9.9 -14.8 15.6 50 53 A P E -I 42 0B 72 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.327 20.2-102.2 -78.3 160.3 11.5 -14.8 19.1 51 54 A V + 0 0 6 -10,-2.2 2,-0.2 -26,-0.1 -26,-0.1 -0.693 50.5 173.7 -77.8 132.5 14.9 -13.5 19.9 52 55 A T > - 0 0 45 -2,-0.4 3,-1.4 143,-0.1 172,-0.3 -0.734 50.8 -92.2-128.6-179.3 17.3 -16.5 20.3 53 56 A Q T 3 S+ 0 0 66 1,-0.3 172,-0.9 -2,-0.2 171,-0.1 0.565 127.5 53.5 -71.7 -8.3 21.1 -16.8 20.9 54 57 A Q T 3 S+ 0 0 91 169,-0.1 -1,-0.3 170,-0.1 2,-0.2 0.405 79.8 117.9-104.8 -1.0 21.3 -17.0 17.1 55 58 A T < - 0 0 3 -3,-1.4 169,-0.5 141,-0.1 2,-0.4 -0.461 60.2-134.6 -69.2 134.8 19.4 -13.7 16.3 56 59 A L B -j 196 0C 1 139,-3.1 141,-2.6 136,-0.2 2,-0.3 -0.809 22.0-171.3 -95.3 133.3 21.5 -11.1 14.5 57 60 A F E -K 222 0D 2 165,-2.4 165,-2.1 -2,-0.4 2,-0.5 -0.897 30.2-111.1-119.8 147.4 21.3 -7.5 15.7 58 61 A E E -K 221 0D 3 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.726 24.6-160.7 -79.4 126.9 22.7 -4.4 14.1 59 62 A L > - 0 0 0 161,-2.6 3,-2.0 -2,-0.5 262,-0.2 0.603 16.4-172.7 -82.2 -16.1 25.6 -3.2 16.4 60 63 A G G > S- 0 0 0 160,-0.5 3,-2.3 158,-0.4 160,-0.4 -0.300 71.7 -0.2 55.9-134.9 25.6 0.4 15.0 61 64 A S G > S+ 0 0 18 254,-0.4 3,-2.2 1,-0.3 4,-0.3 0.691 119.7 77.5 -59.3 -21.0 28.6 2.3 16.4 62 65 A V G X> S+ 0 0 0 -3,-2.0 3,-1.9 1,-0.3 4,-0.7 0.817 80.0 74.7 -61.0 -20.6 29.7 -0.7 18.5 63 66 A S H X> S+ 0 0 0 -3,-2.3 4,-1.7 1,-0.3 3,-0.9 0.826 79.9 71.7 -56.8 -29.7 31.0 -1.8 15.1 64 67 A Q H <> S+ 0 0 0 -3,-2.2 4,-2.8 153,-0.4 -1,-0.3 0.704 84.8 64.6 -63.0 -21.1 33.8 0.7 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.9 4,-2.2 -4,-0.3 -1,-0.3 0.903 104.7 46.4 -66.8 -39.0 35.4 -1.5 18.3 66 69 A F H S+ 0 0 3 -4,-1.6 5,-2.3 2,-0.2 6,-1.0 0.831 108.3 50.6 -68.4 -32.8 47.4 -3.4 10.8 75 78 A I H ><5S+ 0 0 12 -4,-1.8 3,-1.9 4,-0.2 -2,-0.2 0.946 109.2 51.4 -68.4 -45.4 49.8 -1.4 13.1 76 79 A A H 3<5S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.848 106.2 54.8 -58.8 -38.2 51.1 -4.7 14.5 77 80 A R T 3<5S- 0 0 110 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.524 114.7-118.4 -74.2 -5.1 51.7 -6.0 11.0 78 81 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.687 81.4 122.0 73.9 16.4 53.8 -2.9 10.3 79 82 A E S - 0 0 68 -2,-0.3 3,-1.7 4,-0.1 22,-0.3 -0.996 17.9-135.5-134.3 138.1 51.5 3.8 11.8 82 85 A L T 3 S+ 0 0 8 -2,-0.4 22,-2.2 1,-0.3 23,-0.3 0.748 106.2 60.7 -63.6 -23.2 49.1 6.0 13.8 83 86 A S T 3 S+ 0 0 26 576,-0.3 -1,-0.3 20,-0.2 575,-0.2 0.527 83.3 107.7 -82.2 -4.9 51.7 8.8 13.5 84 87 A D S < S- 0 0 17 -3,-1.7 19,-2.2 1,-0.1 20,-0.2 -0.532 78.0-106.8 -80.1 139.2 51.5 8.8 9.7 85 88 A P B > -M 102 0E 54 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.277 23.1-121.6 -60.1 146.8 49.7 11.6 7.9 86 89 A T G >> S+ 0 0 0 15,-2.7 3,-1.5 12,-0.3 4,-0.6 0.890 111.7 62.5 -57.4 -38.9 46.3 10.8 6.4 87 90 A T G 34 S+ 0 0 48 14,-0.3 -1,-0.3 11,-0.3 6,-0.1 0.677 85.4 73.0 -65.5 -15.9 47.7 11.9 3.0 88 91 A K G <4 S+ 0 0 115 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.883 109.9 31.9 -65.5 -30.8 50.3 9.1 3.1 89 92 A Y T <4 S+ 0 0 20 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.430 132.0 34.1-103.1 -3.0 47.4 6.6 2.4 90 93 A W >< + 0 0 28 -4,-0.6 3,-2.3 3,-0.1 -1,-0.2 -0.532 64.3 172.8-148.4 72.1 45.3 9.0 0.3 91 94 A P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.728 73.9 71.6 -58.5 -19.9 47.6 11.2 -1.7 92 95 A E T 3 S+ 0 0 104 1,-0.2 2,-1.9 2,-0.1 3,-0.2 0.654 73.7 91.3 -70.7 -12.3 44.7 12.6 -3.6 93 96 A L < + 0 0 2 -3,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.574 48.3 148.9 -84.4 82.0 43.7 14.5 -0.4 94 97 A T + 0 0 102 -2,-1.9 -1,-0.2 3,-0.0 5,-0.1 0.536 20.4 120.7 -95.6 -11.2 45.7 17.6 -1.3 95 98 A A > - 0 0 21 -3,-0.2 3,-1.7 1,-0.1 4,-0.1 -0.344 67.8-127.7 -56.2 137.6 43.5 20.3 0.4 96 99 A K G > S+ 0 0 171 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.636 99.4 76.6 -69.5 -15.0 45.8 22.0 2.9 97 100 A Q G 3 S+ 0 0 39 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.722 88.0 65.8 -67.1 -17.6 43.6 21.7 5.9 98 101 A W G X S+ 0 0 2 -3,-1.7 3,-2.2 2,-0.1 -12,-0.3 0.573 70.9 115.0 -79.9 -10.0 44.8 18.1 5.9 99 102 A N T < S+ 0 0 115 -3,-1.7 3,-0.1 1,-0.3 -5,-0.0 -0.419 86.9 12.5 -58.9 122.4 48.4 19.0 6.8 100 103 A G T 3 S+ 0 0 50 1,-0.3 2,-0.7 -2,-0.2 -1,-0.3 0.459 91.8 126.2 90.5 -4.9 49.1 17.6 10.2 101 104 A I < - 0 0 2 -3,-2.2 -15,-2.7 3,-0.0 -14,-0.3 -0.837 41.5-170.5 -93.0 117.2 46.0 15.3 10.4 102 105 A T B > -M 85 0E 20 -2,-0.7 4,-1.7 -17,-0.3 5,-0.1 -0.497 39.8-103.1-102.2 170.1 47.2 11.8 11.2 103 106 A L H > S+ 0 0 0 -19,-2.2 4,-2.4 -22,-0.3 5,-0.2 0.846 121.8 60.5 -59.0 -33.7 45.6 8.4 11.3 104 107 A L H > S+ 0 0 7 -22,-2.2 4,-1.8 -20,-0.2 6,-0.3 0.943 103.1 50.1 -60.5 -44.3 45.6 8.7 15.1 105 108 A H H 4>S+ 0 0 21 -23,-0.3 5,-2.0 1,-0.2 6,-0.7 0.897 111.1 48.7 -61.5 -39.4 43.4 11.8 14.8 106 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.932 111.7 48.4 -65.6 -43.2 40.9 10.0 12.6 107 110 A A H 3<5S+ 0 0 0 -4,-2.4 160,-0.6 1,-0.2 -1,-0.2 0.781 117.5 41.4 -66.4 -28.2 40.6 7.0 14.8 108 111 A T T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.257 108.2-113.9-109.1 11.0 40.1 9.1 18.0 109 112 A Y T < 5S+ 0 0 3 -3,-0.9 37,-2.1 -4,-0.5 3,-0.2 0.747 84.6 114.1 66.2 27.1 37.7 11.8 16.7 110 113 A T < + 0 0 1 -5,-2.0 32,-3.1 -6,-0.3 33,-0.4 0.131 29.4 111.1-115.7 23.3 40.3 14.6 17.2 111 114 A A S S- 0 0 1 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.655 102.2 -79.4 -72.6 -14.7 41.0 15.7 13.6 112 115 A G S S- 0 0 0 32,-0.4 26,-2.0 -3,-0.2 27,-1.3 0.577 89.0 -41.3 125.5 22.2 39.3 19.0 14.1 113 116 A G - 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