==== 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 27-FEB-03 1ONH . COMPND 2 MOLECULE: CLASS C BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER CLOACAE; . AUTHOR M.NUKAGA,K.NUKAGA,J.R.KNOX . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 70.0 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 . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 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,-0.2 0, 0.0 361,-0.1 0.000 360.0 360.0 360.0 164.8 33.4 2.5 35.9 2 3 A V - 0 0 33 359,-0.1 2,-0.1 360,-0.1 360,-0.0 -0.480 360.0-134.6 -73.2 134.8 31.3 5.6 36.1 3 4 A S > - 0 0 45 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.389 22.3-111.1 -79.4 164.2 28.3 5.4 38.4 4 5 A E H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 121.2 55.8 -61.7 -35.8 24.8 6.6 37.5 5 6 A K H > S+ 0 0 154 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.942 109.1 44.9 -59.7 -45.4 25.3 9.4 40.0 6 7 A Q H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 111.1 53.3 -67.3 -40.9 28.5 10.5 38.3 7 8 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.926 106.2 53.2 -63.0 -41.4 26.9 10.3 34.8 8 9 A A H X S+ 0 0 39 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.888 110.0 48.7 -61.1 -38.2 24.0 12.5 36.0 9 10 A E H X S+ 0 0 107 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.923 109.9 51.0 -65.6 -46.5 26.5 15.1 37.2 10 11 A V H X S+ 0 0 30 -4,-2.6 4,-1.2 2,-0.2 5,-0.2 0.935 112.2 46.9 -55.9 -45.7 28.4 15.0 33.9 11 12 A V H >X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 3,-0.7 0.976 115.7 44.0 -65.4 -48.3 25.3 15.5 31.9 12 13 A A H 3X S+ 0 0 34 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.918 112.7 51.8 -63.9 -41.1 23.9 18.4 34.0 13 14 A N H 3< S+ 0 0 117 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.723 117.8 39.3 -69.3 -17.2 27.3 20.1 34.2 14 15 A T H S+ 0 0 69 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.883 114.3 54.9 -61.9 -35.0 26.1 25.8 30.6 18 19 A L H X S+ 0 0 20 -4,-1.4 4,-2.2 1,-0.2 6,-0.2 0.936 107.7 48.0 -62.3 -45.8 25.4 24.8 27.0 19 20 A M H <>S+ 0 0 23 -4,-2.8 5,-2.2 1,-0.2 4,-0.3 0.893 113.5 48.3 -64.9 -34.8 21.7 25.9 27.2 20 21 A K H ><5S+ 0 0 184 -4,-1.8 3,-0.8 -5,-0.2 -1,-0.2 0.942 114.7 45.2 -64.8 -50.8 22.7 29.2 28.8 21 22 A A H 3<5S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.843 121.2 36.8 -66.1 -33.2 25.3 30.0 26.2 22 23 A Q T 3<5S- 0 0 62 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.276 106.4-120.9-104.4 6.9 23.2 29.0 23.2 23 24 A S T < 5 + 0 0 95 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.918 47.7 173.0 51.5 50.5 19.9 30.4 24.6 24 25 A V < - 0 0 9 -5,-2.2 -1,-0.2 -6,-0.2 320,-0.1 -0.791 23.9-160.5 -90.0 117.3 18.2 27.0 24.4 25 26 A P S S+ 0 0 26 0, 0.0 19,-2.0 0, 0.0 2,-0.3 0.914 70.4 2.1 -65.1 -42.1 14.8 26.9 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 58.5-176.1-149.7 146.7 14.5 23.1 26.5 27 28 A M E -AB 42 342A 0 15,-2.3 15,-2.5 -2,-0.3 2,-0.4 -0.995 11.0-160.0-145.1 141.8 16.4 19.9 25.9 28 29 A A E -AB 41 341A 0 313,-2.5 313,-2.9 -2,-0.3 2,-0.4 -0.989 19.6-173.3-117.0 128.8 15.8 16.2 26.4 29 30 A V E -AB 40 340A 0 11,-3.0 11,-2.6 -2,-0.4 2,-0.4 -0.966 11.3-173.1-123.1 138.8 18.9 14.0 26.6 30 31 A A E -AB 39 339A 0 309,-2.2 309,-2.5 -2,-0.4 2,-0.5 -0.999 5.2-164.7-123.9 136.7 19.3 10.3 26.7 31 32 A V E -AB 38 338A 0 7,-2.6 7,-1.9 -2,-0.4 2,-0.6 -0.969 12.5-146.2-113.1 133.9 22.6 8.5 27.4 32 33 A I E +AB 37 337A 2 305,-2.6 305,-1.6 -2,-0.5 2,-0.3 -0.888 37.3 148.8 -97.6 120.6 22.8 4.8 26.6 33 34 A Y E > +A 36 0A 17 3,-2.4 3,-1.3 -2,-0.6 303,-0.1 -0.960 58.0 4.9-155.5 134.7 25.1 3.1 29.1 34 35 A Q T 3 S- 0 0 117 301,-0.4 302,-0.1 -2,-0.3 301,-0.1 0.868 129.5 -53.4 54.2 41.2 25.3 -0.4 30.6 35 36 A G T 3 S+ 0 0 60 300,-0.5 -1,-0.3 1,-0.2 301,-0.1 0.544 120.3 73.2 83.7 5.5 22.5 -1.7 28.4 36 37 A K E < S-A 33 0A 100 -3,-1.3 -3,-2.4 -5,-0.0 2,-0.3 -0.979 77.3-103.8-147.4 159.1 19.8 0.9 29.2 37 38 A P E -A 32 0A 34 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.570 23.4-158.0 -81.0 147.5 18.8 4.5 28.5 38 39 A H E -A 31 0A 14 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.4 -0.999 15.4-149.1-124.4 126.3 19.2 7.2 31.1 39 40 A Y E +A 30 0A 70 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.799 18.1 177.7-112.9 138.4 17.0 10.3 30.7 40 41 A Y E -A 29 0A 39 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.4 -0.996 8.7-166.7-137.2 125.3 17.6 13.9 31.6 41 42 A T E -A 28 0A 60 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.940 5.7-177.0-121.9 144.5 15.2 16.7 30.9 42 43 A F E -A 27 0A 38 -15,-2.5 -15,-2.3 -2,-0.4 12,-0.0 -0.998 39.3 -25.3-139.5 137.9 15.8 20.5 31.0 43 44 A G E S-A 26 0A 39 -2,-0.3 10,-2.5 -17,-0.2 2,-0.4 -0.178 87.1 -20.6 72.8-154.4 13.8 23.6 30.6 44 45 A K E -I 52 0B 83 -19,-2.0 3,-0.2 8,-0.3 299,-0.2 -0.867 22.6-170.7-113.4 132.5 10.7 24.4 28.6 45 46 A A E S+ 0 0 8 6,-2.4 155,-2.8 -2,-0.4 2,-0.3 0.723 97.4 20.1 -80.9 -27.8 8.9 22.8 25.7 46 47 A D E > -I 51 0B 22 5,-1.4 5,-2.2 153,-0.2 4,-0.4 -0.908 67.7-168.0-146.5 105.5 6.6 25.8 25.4 47 48 A I T > 5S+ 0 0 86 -2,-0.3 3,-1.2 -3,-0.2 -1,-0.1 0.937 87.3 48.6 -63.8 -51.0 7.7 29.1 27.0 48 49 A A T 3 5S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.898 119.0 39.6 -58.7 -40.7 4.4 31.0 26.8 49 50 A A T 3 5S- 0 0 50 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.445 105.6-128.7 -89.6 0.6 2.5 28.1 28.3 50 51 A N T < 5 + 0 0 105 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.889 48.5 162.0 52.3 46.0 5.2 27.3 30.8 51 52 A K E < -I 46 0B 96 -5,-2.2 -6,-2.4 3,-0.0 -5,-1.4 -0.822 31.0-135.9 -95.1 125.1 5.2 23.6 29.8 52 53 A P E -I 44 0B 80 0, 0.0 -8,-0.3 0, 0.0 2,-0.3 -0.429 22.6-101.5 -77.2 156.0 8.4 21.7 30.9 53 54 A V + 0 0 6 -10,-2.5 -12,-0.1 -2,-0.1 -26,-0.1 -0.609 48.2 176.7 -67.4 134.5 10.3 19.3 28.7 54 55 A T > - 0 0 46 -2,-0.3 3,-1.6 143,-0.2 175,-0.3 -0.817 49.3 -95.5-128.7 171.4 9.5 15.7 29.7 55 56 A P T 3 S+ 0 0 44 0, 0.0 175,-1.0 0, 0.0 174,-0.2 0.594 126.0 54.5 -64.8 -6.4 10.5 12.3 28.3 56 57 A Q T 3 S+ 0 0 100 172,-0.1 2,-0.1 173,-0.1 -3,-0.0 0.486 78.7 119.5 -98.9 -6.1 7.2 12.5 26.3 57 58 A T < - 0 0 6 -3,-1.6 172,-0.5 141,-0.1 2,-0.4 -0.386 61.0-133.3 -61.9 130.8 7.9 15.8 24.6 58 59 A L B -j 198 0C 2 139,-2.6 141,-2.5 136,-0.2 2,-0.3 -0.754 24.4-173.3 -86.1 133.3 8.0 15.6 20.8 59 60 A F E -K 227 0D 0 168,-2.8 168,-2.2 -2,-0.4 2,-0.5 -0.904 30.2-110.5-119.9 151.5 10.9 17.3 19.0 60 61 A E E -K 226 0D 2 -2,-0.3 166,-0.2 166,-0.2 282,-0.2 -0.725 23.6-161.7 -78.8 124.3 11.6 17.8 15.3 61 62 A L > - 0 0 0 164,-2.7 3,-1.8 -2,-0.5 265,-0.2 0.635 16.8-173.1 -81.5 -17.5 14.6 15.7 14.3 62 63 A G G > S+ 0 0 14 163,-0.5 3,-2.5 1,-0.3 163,-0.4 -0.311 70.4 1.1 53.2-135.8 15.3 17.5 11.1 63 64 A S G > S+ 0 0 29 257,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.588 115.2 80.8 -66.1 -7.4 18.0 15.7 9.1 64 65 A I G X> S+ 0 0 0 -3,-1.8 3,-1.8 1,-0.3 4,-0.7 0.755 76.4 79.4 -67.0 -16.5 18.3 12.9 11.6 65 66 A S H X> S+ 0 0 10 -3,-2.5 4,-1.8 1,-0.3 3,-0.6 0.804 77.7 70.8 -49.4 -32.1 15.2 11.7 9.7 66 67 A K H <> S+ 0 0 13 -3,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.754 87.3 62.0 -62.7 -24.5 17.7 10.5 7.1 67 68 A T H <> S+ 0 0 0 -3,-1.8 4,-2.2 205,-0.3 -1,-0.2 0.894 104.1 48.1 -68.0 -36.4 18.9 7.8 9.4 68 69 A F H S+ 0 0 3 -4,-1.9 5,-2.2 2,-0.2 6,-0.9 0.878 109.3 50.3 -65.8 -35.8 14.3 -3.0 1.3 77 78 A I H ><5S+ 0 0 36 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.930 109.4 51.0 -63.0 -47.1 17.6 -4.2 0.1 78 79 A A H 3<5S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.755 108.5 52.1 -65.4 -25.4 17.5 -7.1 2.5 79 80 A R H 3<5S- 0 0 109 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.594 116.1-115.8 -79.1 -14.2 14.0 -8.0 1.3 80 81 A G T <<5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.592 82.9 119.9 85.8 13.2 15.3 -8.1 -2.3 81 82 A E S - 0 0 43 -2,-0.3 3,-1.6 4,-0.1 22,-0.3 -0.994 20.1-135.1-134.1 139.8 19.7 -3.1 -4.9 84 85 A L T 3 S+ 0 0 18 -2,-0.3 22,-2.5 1,-0.3 23,-0.3 0.752 107.1 58.2 -63.1 -24.3 22.1 -0.2 -4.4 85 86 A D T 3 S+ 0 0 107 20,-0.2 -1,-0.3 19,-0.1 3,-0.1 0.512 84.1 103.4 -86.1 -4.2 23.8 -1.2 -7.6 86 87 A D S < S- 0 0 36 -3,-1.6 19,-2.6 1,-0.1 20,-0.3 -0.443 82.1-102.7 -70.6 151.6 20.6 -0.8 -9.7 87 88 A P B > -M 104 0E 57 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.451 23.3-121.9 -70.2 146.0 20.2 2.3 -11.9 88 89 A V G >> S+ 0 0 0 15,-2.2 3,-1.8 12,-0.3 4,-0.6 0.886 111.8 65.2 -50.4 -40.9 17.9 4.9 -10.6 89 90 A T G 34 S+ 0 0 50 14,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.722 84.2 72.4 -64.0 -19.0 16.0 4.5 -13.8 90 91 A R G <4 S+ 0 0 169 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.845 107.3 35.9 -59.3 -29.4 15.0 1.0 -12.8 91 92 A Y T <4 S+ 0 0 21 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.441 128.5 35.4-103.8 -4.3 12.7 2.5 -10.2 92 93 A W >< + 0 0 14 -4,-0.6 3,-1.9 -3,-0.4 -1,-0.2 -0.533 62.3 173.2-148.5 73.0 11.6 5.5 -12.3 93 94 A P T 3 S+ 0 0 91 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.754 76.2 67.6 -60.7 -23.4 11.4 4.6 -16.0 94 95 A Q T 3 S+ 0 0 107 1,-0.2 2,-1.9 2,-0.1 3,-0.1 0.684 75.9 90.9 -71.3 -13.5 9.9 8.0 -16.9 95 96 A L < + 0 0 1 -3,-1.9 -1,-0.2 1,-0.2 -3,-0.1 -0.561 52.8 158.6 -81.3 82.0 13.3 9.6 -15.9 96 97 A T + 0 0 98 -2,-1.9 -1,-0.2 3,-0.0 -2,-0.1 0.525 19.6 122.9 -91.6 -8.0 14.6 9.3 -19.5 97 98 A G > - 0 0 18 1,-0.1 3,-1.9 -3,-0.1 4,-0.2 -0.316 61.2-135.7 -63.3 136.3 17.4 11.9 -19.6 98 99 A K G > S+ 0 0 139 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.646 95.4 78.3 -73.4 -11.7 20.6 10.4 -20.5 99 100 A Q G 3 S+ 0 0 58 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.644 87.3 64.9 -63.3 -16.5 22.6 12.2 -17.8 100 101 A W G X S+ 0 0 1 -3,-1.9 3,-2.3 2,-0.1 -12,-0.3 0.590 72.1 111.9 -84.2 -11.4 21.1 9.6 -15.5 101 102 A Q T < S+ 0 0 151 -3,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.429 84.2 20.7 -63.6 136.2 22.9 6.6 -17.1 102 103 A G T 3 S+ 0 0 52 1,-0.3 2,-0.6 -2,-0.1 -1,-0.3 0.388 92.3 123.5 85.8 -2.8 25.5 5.3 -14.7 103 104 A I < - 0 0 2 -3,-2.3 -15,-2.2 40,-0.1 -14,-0.4 -0.849 46.8-159.8 -94.0 121.3 23.8 6.8 -11.6 104 105 A R B > -M 87 0E 51 -2,-0.6 4,-1.7 -17,-0.3 3,-0.4 -0.524 33.2-111.2 -94.9 160.5 23.0 4.1 -9.1 105 106 A M H > S+ 0 0 0 -19,-2.6 4,-2.4 -22,-0.3 -20,-0.2 0.898 120.8 60.8 -52.7 -38.5 20.6 4.0 -6.2 106 107 A L H > S+ 0 0 7 -22,-2.5 4,-1.6 -20,-0.3 6,-0.2 0.906 99.5 53.9 -56.8 -42.2 23.7 4.1 -4.1 107 108 A D H >>S+ 0 0 1 -3,-0.4 5,-1.8 -23,-0.3 4,-0.7 0.911 109.9 46.9 -62.3 -41.9 24.7 7.5 -5.5 108 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.938 113.1 49.3 -60.4 -46.5 21.3 8.9 -4.6 109 110 A A H 3<5S+ 0 0 0 -4,-2.4 163,-0.5 1,-0.2 -1,-0.2 0.761 119.6 35.8 -65.9 -27.3 21.4 7.5 -1.1 110 111 A T H 3<5S- 0 0 0 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.167 110.3-108.9-122.3 17.3 25.0 8.7 -0.4 111 112 A Y T <<5S+ 0 0 3 -4,-0.7 37,-2.2 -3,-0.7 3,-0.2 0.714 84.5 116.2 72.2 24.0 25.0 12.1 -2.1 112 113 A T < + 0 0 0 -5,-1.8 32,-2.7 -6,-0.2 33,-0.5 0.136 27.9 112.3-112.0 20.6 27.4 11.1 -5.0 113 114 A A S S- 0 0 2 -6,-0.7 -1,-0.2 30,-0.2 -5,-0.1 0.745 98.4 -88.7 -68.4 -22.0 25.1 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 0.669 89.9 -24.7 120.4 37.5 27.2 14.3 -9.3 115 116 A G + 0 0 15 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.635 67.2 168.6 111.3 17.9 25.9 17.6 -7.8 116 117 A L - 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