==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-03 1RGZ . COMPND 2 MOLECULE: CLASS C BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR M.NUKAGA,S.KUMAR,K.NUKAGA,R.F.PRATT,J.R.KNOX . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 18.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 5 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 . 19 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 2 1 1 0 2 0 2 1 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 5 3 1 0 2 1 1 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 2 0 0 0 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 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 2 A P 0 0 157 0, 0.0 2,-0.3 0, 0.0 361,-0.1 0.000 360.0 360.0 360.0 154.5 33.6 2.8 35.8 2 3 A V - 0 0 32 361,-0.2 2,-0.1 360,-0.1 360,-0.0 -0.550 360.0-133.8 -81.0 137.7 31.4 5.7 36.1 3 4 A S > - 0 0 46 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.367 23.9-109.2 -78.6 164.3 28.3 5.5 38.3 4 5 A E H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 122.3 55.1 -58.2 -38.3 24.8 6.6 37.4 5 6 A K H > S+ 0 0 154 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.936 109.5 44.6 -59.2 -47.0 25.3 9.4 40.0 6 7 A Q H > S+ 0 0 91 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.884 111.0 54.4 -65.0 -41.3 28.5 10.6 38.2 7 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.923 105.9 52.5 -59.7 -44.1 26.8 10.3 34.8 8 9 A A H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.886 110.4 48.7 -58.4 -39.6 24.0 12.5 35.9 9 10 A E H X S+ 0 0 105 -4,-1.5 4,-3.2 2,-0.2 5,-0.2 0.926 110.0 50.8 -64.0 -48.9 26.5 15.1 37.1 10 11 A V H X S+ 0 0 29 -4,-2.6 4,-1.2 2,-0.2 5,-0.2 0.933 112.2 46.9 -54.4 -48.1 28.4 15.0 33.8 11 12 A V H >X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-0.7 0.959 116.1 43.8 -62.8 -48.3 25.3 15.5 31.8 12 13 A A H 3X S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 111.7 53.1 -64.3 -38.2 24.0 18.3 33.9 13 14 A N H 3< S+ 0 0 117 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.693 117.9 37.9 -70.6 -19.7 27.4 20.0 34.1 14 15 A T H S+ 0 0 71 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 114.4 55.9 -64.9 -30.9 26.1 25.8 30.4 18 19 A L H X S+ 0 0 20 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.943 107.4 47.1 -63.3 -46.3 25.3 24.8 26.8 19 20 A M H <>S+ 0 0 21 -4,-2.9 5,-2.3 1,-0.2 4,-0.4 0.899 114.6 47.4 -65.0 -36.8 21.7 25.8 27.1 20 21 A K H ><5S+ 0 0 181 -4,-1.9 3,-0.8 -5,-0.3 -1,-0.2 0.945 114.4 46.2 -65.7 -48.1 22.6 29.1 28.7 21 22 A A H 3<5S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.883 121.6 36.6 -65.0 -35.2 25.4 29.9 26.1 22 23 A Q T 3<5S- 0 0 63 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.301 106.6-121.2-104.6 8.8 23.2 28.9 23.1 23 24 A S T < 5 + 0 0 96 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.907 48.1 172.1 54.6 49.8 19.9 30.3 24.5 24 25 A V < - 0 0 10 -5,-2.3 -1,-0.2 -6,-0.2 320,-0.1 -0.796 24.7-160.1 -93.7 118.5 18.2 26.9 24.3 25 26 A P S S+ 0 0 27 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.889 70.2 2.5 -66.7 -39.1 14.8 26.8 26.0 26 27 A G E -A 43 0A 0 17,-0.3 317,-1.7 19,-0.1 2,-0.3 -0.998 57.7-175.5-151.7 147.8 14.5 23.0 26.4 27 28 A M E -AB 42 342A 0 15,-2.2 15,-2.6 -2,-0.3 2,-0.5 -0.997 10.4-160.1-144.2 140.6 16.5 19.8 25.9 28 29 A A E -AB 41 341A 0 313,-2.6 313,-3.1 -2,-0.3 2,-0.4 -0.994 19.4-172.7-118.6 129.5 15.9 16.1 26.3 29 30 A V E -AB 40 340A 0 11,-3.1 11,-2.6 -2,-0.5 2,-0.4 -0.956 11.8-172.9-123.8 136.3 18.9 13.9 26.6 30 31 A A E -AB 39 339A 0 309,-2.1 309,-2.7 -2,-0.4 2,-0.5 -0.998 5.2-165.6-122.6 134.1 19.3 10.2 26.6 31 32 A V E -AB 38 338A 0 7,-2.5 7,-1.9 -2,-0.4 2,-0.6 -0.972 12.5-146.6-114.6 130.8 22.6 8.4 27.3 32 33 A I E +AB 37 337A 3 305,-2.8 305,-1.5 -2,-0.5 2,-0.3 -0.875 36.9 149.2 -96.4 120.8 22.9 4.8 26.5 33 34 A Y E > +A 36 0A 16 3,-2.3 3,-1.2 -2,-0.6 303,-0.1 -0.962 58.5 4.2-156.5 134.7 25.2 3.1 29.0 34 35 A Q T 3 S- 0 0 123 301,-0.4 302,-0.1 -2,-0.3 301,-0.1 0.834 129.6 -53.9 52.5 39.3 25.4 -0.4 30.6 35 36 A G T 3 S+ 0 0 62 300,-0.5 -1,-0.2 1,-0.2 301,-0.1 0.512 120.1 72.5 85.1 6.3 22.6 -1.7 28.4 36 37 A K E < S-A 33 0A 64 -3,-1.2 -3,-2.3 -5,-0.1 2,-0.2 -0.976 78.0-102.0-146.7 161.0 19.9 0.8 29.2 37 38 A P E -A 32 0A 34 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.602 23.1-157.1 -82.6 147.4 18.9 4.4 28.5 38 39 A H E -A 31 0A 15 -7,-1.9 -7,-2.5 -2,-0.2 2,-0.4 -1.000 15.6-149.8-123.6 126.1 19.3 7.2 31.1 39 40 A Y E +A 30 0A 72 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.802 18.1 176.8-114.8 137.2 17.1 10.2 30.7 40 41 A Y E -A 29 0A 38 -11,-2.6 -11,-3.1 -2,-0.4 2,-0.4 -0.996 8.3-167.8-136.9 126.6 17.7 13.8 31.5 41 42 A T E -A 28 0A 58 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.954 5.6-178.2-123.4 144.7 15.2 16.7 30.8 42 43 A F E -A 27 0A 38 -15,-2.6 -15,-2.2 -2,-0.4 12,-0.0 -0.996 40.0 -21.9-142.2 139.3 15.8 20.4 31.0 43 44 A G E S-A 26 0A 38 -2,-0.3 10,-2.4 -17,-0.2 2,-0.4 -0.203 86.8 -23.6 71.6-156.4 13.8 23.5 30.5 44 45 A K E -I 52 0B 38 -19,-2.2 3,-0.2 8,-0.3 299,-0.2 -0.877 21.7-169.1-115.0 135.5 10.7 24.3 28.6 45 46 A A E S+ 0 0 8 6,-2.3 155,-2.8 -2,-0.4 2,-0.4 0.718 97.5 21.3 -79.6 -31.3 8.9 22.7 25.6 46 47 A D E > -I 51 0B 21 5,-1.5 5,-2.1 153,-0.2 4,-0.4 -0.910 68.8-166.8-143.0 106.3 6.6 25.7 25.4 47 48 A I T > 5S+ 0 0 89 -2,-0.4 3,-1.2 -3,-0.2 -1,-0.1 0.937 87.5 45.7 -63.4 -50.1 7.8 29.0 26.9 48 49 A A T 3 5S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.880 118.5 42.4 -68.7 -31.7 4.6 30.9 26.9 49 50 A A T 3 5S- 0 0 52 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.437 105.9-130.3 -88.3 -2.4 2.5 28.0 28.2 50 51 A N T < 5 + 0 0 120 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.900 47.9 161.8 51.8 47.2 5.3 27.2 30.7 51 52 A K E < -I 46 0B 98 -5,-2.1 -6,-2.3 3,-0.0 -5,-1.5 -0.860 31.7-133.5 -95.1 126.2 5.3 23.5 29.8 52 53 A P E -I 44 0B 79 0, 0.0 -8,-0.3 0, 0.0 2,-0.3 -0.403 21.6-103.4 -77.8 153.8 8.4 21.6 30.8 53 54 A V + 0 0 6 -10,-2.4 -12,-0.1 -2,-0.1 -10,-0.1 -0.558 48.2 175.6 -63.3 133.6 10.4 19.2 28.7 54 55 A T > - 0 0 45 -2,-0.3 3,-1.7 143,-0.1 175,-0.3 -0.844 50.1 -95.2-130.4 171.9 9.5 15.6 29.6 55 56 A P T 3 S+ 0 0 45 0, 0.0 175,-0.9 0, 0.0 174,-0.3 0.603 126.5 55.5 -65.5 -5.7 10.6 12.2 28.2 56 57 A Q T 3 S+ 0 0 100 172,-0.1 2,-0.1 173,-0.1 -3,-0.0 0.499 79.0 119.4 -96.9 -7.5 7.3 12.4 26.3 57 58 A T < - 0 0 5 -3,-1.7 172,-0.4 141,-0.1 2,-0.4 -0.369 60.1-134.5 -65.0 132.0 8.0 15.8 24.6 58 59 A L B -j 198 0C 3 139,-2.8 141,-2.5 136,-0.2 2,-0.3 -0.787 23.3-173.2 -90.3 133.1 8.1 15.5 20.8 59 60 A F E -K 227 0D 0 168,-2.6 168,-2.1 -2,-0.4 2,-0.5 -0.887 29.7-112.2-119.5 147.8 11.0 17.2 18.9 60 61 A E E -K 226 0D 3 -2,-0.3 166,-0.2 166,-0.2 282,-0.2 -0.742 24.0-161.3 -78.8 125.3 11.6 17.7 15.2 61 62 A L > - 0 0 0 164,-2.7 3,-1.8 -2,-0.5 265,-0.2 0.626 14.2-170.6 -81.3 -18.9 14.6 15.6 14.2 62 63 A G G > S- 0 0 14 163,-0.4 3,-2.4 1,-0.3 163,-0.4 -0.303 72.1 -0.9 57.4-139.5 15.4 17.4 10.9 63 64 A S G > S+ 0 0 24 257,-0.4 3,-1.8 1,-0.3 4,-0.3 0.578 114.6 82.2 -66.7 -3.4 18.0 15.5 9.0 64 65 A I G X> S+ 0 0 0 -3,-1.8 3,-1.8 1,-0.3 4,-0.7 0.770 78.4 77.0 -64.8 -19.1 18.3 12.7 11.6 65 66 A S H X> S+ 0 0 9 -3,-2.4 4,-1.8 1,-0.3 3,-0.7 0.828 78.8 70.0 -51.2 -33.4 15.2 11.6 9.7 66 67 A K H <> S+ 0 0 16 -3,-1.8 4,-2.4 1,-0.2 -1,-0.3 0.757 88.2 62.1 -62.1 -25.0 17.7 10.4 7.0 67 68 A T H <> S+ 0 0 0 -3,-1.8 4,-2.0 -4,-0.3 -1,-0.2 0.888 103.6 48.6 -68.8 -34.7 18.9 7.7 9.4 68 69 A F H S+ 0 0 2 -4,-1.9 5,-2.2 2,-0.2 6,-0.8 0.891 110.0 49.3 -63.8 -39.2 14.3 -3.1 1.2 77 78 A I H ><5S+ 0 0 36 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.937 110.0 50.7 -63.1 -46.1 17.7 -4.3 0.0 78 79 A A H 3<5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.767 108.3 52.7 -63.5 -28.1 17.6 -7.1 2.5 79 80 A R H 3<5S- 0 0 112 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.626 116.2-116.5 -77.0 -17.4 14.2 -8.1 1.3 80 81 A G T <<5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.536 82.9 120.1 89.9 9.5 15.5 -8.2 -2.3 81 82 A E S - 0 0 44 -2,-0.3 3,-1.6 4,-0.1 22,-0.3 -0.992 18.9-137.4-131.6 133.7 19.8 -3.2 -5.0 84 85 A L T 3 S+ 0 0 17 -2,-0.4 22,-2.5 1,-0.3 23,-0.3 0.756 107.4 59.3 -60.4 -23.4 22.2 -0.2 -4.4 85 86 A D T 3 S+ 0 0 107 20,-0.2 -1,-0.3 19,-0.1 -3,-0.0 0.532 84.0 104.0 -83.5 -5.7 23.9 -1.2 -7.7 86 87 A D S < S- 0 0 35 -3,-1.6 19,-2.7 1,-0.1 20,-0.3 -0.410 81.5-104.4 -69.8 149.9 20.7 -0.8 -9.7 87 88 A P B >> -M 104 0E 56 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.456 23.5-121.1 -71.1 148.9 20.3 2.2 -11.9 88 89 A V H >> S+ 0 0 0 15,-2.3 3,-1.6 12,-0.3 4,-0.6 0.893 111.9 64.9 -50.5 -41.8 18.0 4.9 -10.6 89 90 A T H 34 S+ 0 0 48 14,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.701 84.3 71.9 -63.7 -20.7 16.0 4.5 -13.8 90 91 A R H <4 S+ 0 0 163 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.862 107.9 35.8 -59.8 -32.8 15.0 1.0 -12.9 91 92 A Y H << S+ 0 0 20 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.495 129.0 35.2 -99.0 -5.6 12.7 2.5 -10.2 92 93 A W >< + 0 0 10 -4,-0.6 3,-2.2 -3,-0.3 -1,-0.2 -0.555 61.4 173.1-149.3 74.1 11.7 5.5 -12.3 93 94 A P T 3 S+ 0 0 88 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.709 76.1 68.2 -60.4 -23.7 11.4 4.6 -15.9 94 95 A Q T 3 S+ 0 0 109 1,-0.1 2,-1.7 2,-0.1 3,-0.1 0.606 75.9 91.2 -69.5 -13.1 10.0 8.1 -16.8 95 96 A L < + 0 0 2 -3,-2.2 -1,-0.1 1,-0.2 -3,-0.1 -0.645 51.6 156.6 -83.2 81.9 13.4 9.6 -15.9 96 97 A T + 0 0 94 -2,-1.7 -1,-0.2 3,-0.0 -2,-0.1 0.513 20.2 122.3 -93.4 -8.4 14.6 9.3 -19.5 97 98 A G > - 0 0 17 1,-0.1 3,-1.7 -3,-0.1 4,-0.2 -0.325 61.5-136.7 -59.8 132.8 17.3 11.9 -19.5 98 99 A K G > S+ 0 0 170 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.639 95.3 78.3 -74.0 -11.6 20.6 10.3 -20.5 99 100 A Q G 3 S+ 0 0 57 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.646 87.0 64.8 -64.8 -16.6 22.6 12.2 -17.9 100 101 A W G X S+ 0 0 1 -3,-1.7 3,-2.3 2,-0.1 -12,-0.3 0.627 72.6 112.1 -81.1 -12.5 21.1 9.6 -15.5 101 102 A Q T < S+ 0 0 167 -3,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.403 83.8 20.5 -63.0 135.4 22.9 6.6 -17.1 102 103 A G T 3 S+ 0 0 51 1,-0.3 2,-0.6 -2,-0.1 -1,-0.3 0.402 92.5 123.0 84.7 -2.9 25.5 5.3 -14.7 103 104 A I < - 0 0 2 -3,-2.3 -15,-2.3 40,-0.1 -14,-0.4 -0.861 47.1-161.0 -94.0 119.0 23.8 6.8 -11.7 104 105 A R B >> -M 87 0E 52 -2,-0.6 4,-1.7 -17,-0.3 3,-0.6 -0.540 34.5-110.2 -96.1 160.8 23.0 4.1 -9.2 105 106 A M H 3> S+ 0 0 0 -19,-2.7 4,-2.5 -22,-0.3 5,-0.2 0.887 120.7 62.3 -52.6 -38.5 20.6 4.0 -6.2 106 107 A L H 3> S+ 0 0 9 -22,-2.5 4,-1.6 -20,-0.3 -1,-0.2 0.899 100.2 51.3 -52.0 -45.6 23.8 4.0 -4.2 107 108 A D H <>>S+ 0 0 0 -3,-0.6 5,-1.8 -23,-0.3 6,-0.7 0.885 110.6 47.3 -65.8 -36.8 24.7 7.4 -5.5 108 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 49,-0.2 0.927 112.9 49.8 -67.6 -42.0 21.4 8.9 -4.6 109 110 A A H 3<5S+ 0 0 0 -4,-2.5 163,-0.5 1,-0.2 -1,-0.2 0.791 119.9 34.8 -65.6 -28.4 21.5 7.3 -1.2 110 111 A T H 3<5S- 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.229 110.7-107.5-122.4 17.2 25.0 8.6 -0.4 111 112 A Y T <<5S+ 0 0 3 -4,-0.7 37,-2.3 -3,-0.7 3,-0.2 0.714 85.0 115.8 73.7 24.2 25.1 12.0 -2.2 112 113 A T < + 0 0 0 -5,-1.8 32,-2.5 -6,-0.2 33,-0.4 0.093 28.3 112.3-111.7 20.1 27.4 11.0 -5.0 113 114 A A S S- 0 0 1 -6,-0.7 -1,-0.1 30,-0.2 -5,-0.1 0.759 98.2 -90.5 -66.8 -20.9 25.2 11.4 -8.1 114 115 A G S S- 0 0 0 32,-0.4 27,-1.8 -3,-0.2 26,-1.6 0.694 89.2 -23.4 117.2 38.1 27.3 14.3 -9.2 115 116 A G + 0 0 13 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.639 67.3 167.7 114.5 14.7 26.0 17.5 -7.8 116 117 A L - 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