==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-97 1BC2 . COMPND 2 MOLECULE: METALLO-BETA-LACTAMASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR S.M.FABIANE,B.J.SUTTON . 432 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18534.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 29 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 2 0 0 2 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 PARALLEL BRIDGES PER LADDER . 3 1 5 0 4 3 1 0 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 . 0 0 0 0 2 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 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 7 A T 0 0 111 0, 0.0 13,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.9 15.3 7.4 27.0 2 8 A V E -A 13 0A 86 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.978 360.0-176.1-129.8 117.0 16.3 9.2 23.8 3 9 A I E +A 12 0A 51 9,-2.6 9,-2.1 -2,-0.4 2,-0.1 -0.950 8.0 171.2-117.4 132.1 13.9 11.6 22.0 4 10 A K - 0 0 119 -2,-0.4 2,-0.3 7,-0.3 7,-0.2 -0.312 29.6 -98.8-116.8-160.5 14.7 13.3 18.7 5 11 A N > - 0 0 11 5,-0.3 3,-1.2 -2,-0.1 5,-0.1 -0.838 42.7 -92.0-123.6 163.9 12.9 15.4 16.1 6 12 A E T 3 S+ 0 0 178 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.735 127.7 42.9 -44.5 -32.7 11.2 14.6 12.7 7 13 A T T 3 S- 0 0 112 3,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.712 104.5-128.1 -90.1 -25.3 14.5 15.3 10.9 8 14 A G S < S+ 0 0 32 -3,-1.2 -2,-0.1 2,-0.2 3,-0.1 0.458 76.6 114.7 90.6 2.7 16.8 13.6 13.4 9 15 A T S S+ 0 0 39 1,-0.2 16,-1.6 15,-0.1 2,-0.4 0.683 74.1 47.4 -77.7 -20.1 19.2 16.5 13.9 10 16 A I E + B 0 24A 0 14,-0.2 -5,-0.3 -5,-0.1 2,-0.3 -0.978 64.6 166.2-128.9 123.8 18.3 17.0 17.6 11 17 A S E - B 0 23A 14 12,-2.3 12,-2.5 -2,-0.4 2,-0.4 -0.933 19.6-155.1-132.8 156.0 18.1 14.3 20.2 12 18 A I E -AB 3 22A 0 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.990 10.0-167.8-135.3 119.6 17.9 14.3 24.0 13 19 A S E -AB 2 21A 37 8,-2.4 8,-3.0 -2,-0.4 2,-0.4 -0.936 22.5-124.1-112.3 132.2 19.1 11.3 26.0 14 20 A Q E + B 0 20A 73 -13,-2.7 6,-0.3 -2,-0.4 3,-0.1 -0.583 24.3 179.4 -77.0 125.7 18.3 10.9 29.7 15 21 A L - 0 0 63 4,-3.3 2,-0.3 1,-0.4 5,-0.2 0.761 70.0 -37.3 -89.7 -35.0 21.4 10.5 31.9 16 22 A N S S- 0 0 32 3,-2.0 -1,-0.4 1,-0.0 3,-0.3 -0.941 88.9 -47.2-168.0-173.1 19.3 10.3 35.0 17 23 A K S S+ 0 0 129 -2,-0.3 -1,-0.0 1,-0.2 3,-0.0 0.802 133.6 7.9 -37.2 -53.8 16.2 11.5 36.8 18 24 A N S S+ 0 0 34 18,-0.0 19,-2.3 -4,-0.0 2,-0.5 0.416 114.5 84.7-116.2 0.3 16.9 15.3 36.2 19 25 A V E + C 0 36A 0 -3,-0.3 -4,-3.3 17,-0.2 -3,-2.0 -0.907 47.0 169.1-113.0 128.0 19.9 15.2 33.8 20 26 A W E -BC 14 35A 11 15,-2.1 15,-2.5 -2,-0.5 2,-0.5 -0.905 27.2-132.3-130.3 157.3 19.7 14.8 30.0 21 27 A V E -BC 13 34A 8 -8,-3.0 -8,-2.4 -2,-0.3 2,-0.4 -0.950 16.7-154.0-111.6 128.0 22.2 15.3 27.2 22 28 A H E -BC 12 33A 0 11,-2.9 11,-2.0 -2,-0.5 2,-0.4 -0.873 14.1-175.0-103.0 136.9 21.2 17.3 24.2 23 29 A T E -BC 11 32A 27 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.999 5.5-179.8-135.3 132.0 22.9 16.5 20.9 24 30 A E E -BC 10 31A 0 7,-1.7 7,-2.0 -2,-0.4 2,-0.4 -0.976 23.4-129.8-131.9 147.3 22.7 18.3 17.5 25 31 A L E C 0 30A 74 -16,-1.6 -16,-0.0 -2,-0.3 -2,-0.0 -0.811 360.0 360.0 -95.7 133.0 24.3 17.6 14.1 26 32 A G 0 0 49 3,-2.1 -1,-0.1 -2,-0.4 22,-0.0 0.218 360.0 360.0-150.1 360.0 26.0 20.6 12.4 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 38 A A 0 0 115 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.7 27.7 16.9 9.9 29 39 A V - 0 0 71 171,-0.0 -3,-2.1 2,-0.0 2,-0.2 -0.878 360.0-126.0-110.1 133.4 29.2 16.7 13.4 30 40 A P E -C 25 0A 47 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.511 21.6-161.9 -75.1 143.4 27.3 16.1 16.6 31 41 A S E -C 24 0A 1 -7,-2.0 -7,-1.7 -2,-0.2 2,-0.3 -0.998 7.8-144.9-129.1 132.4 27.7 18.5 19.5 32 42 A N E +C 23 0A 9 167,-3.3 2,-0.3 -2,-0.4 -9,-0.2 -0.755 26.3 151.8-101.5 151.9 26.8 17.7 23.2 33 43 A G E -C 22 0A 0 -11,-2.0 -11,-2.9 -2,-0.3 2,-0.3 -0.900 37.7-102.5-158.9 172.6 25.3 19.8 25.9 34 44 A L E -CD 21 45A 0 11,-1.0 11,-2.1 -2,-0.3 2,-0.5 -0.793 13.3-156.6-110.9 154.5 23.2 19.2 29.0 35 45 A V E -CD 20 44A 0 -15,-2.5 -15,-2.1 -2,-0.3 2,-0.6 -0.994 15.0-162.7-125.3 116.0 19.5 19.8 29.8 36 46 A L E -CD 19 43A 0 7,-3.1 7,-2.5 -2,-0.5 2,-0.9 -0.924 6.8-153.8-107.9 119.9 18.7 20.2 33.5 37 47 A N E + D 0 42A 29 -19,-2.3 2,-0.2 -2,-0.6 5,-0.2 -0.812 28.0 172.2 -92.2 105.2 15.1 19.8 34.7 38 48 A T E > - D 0 41A 2 3,-1.9 3,-1.1 -2,-0.9 88,-0.2 -0.624 48.9-106.7-110.7 172.5 14.8 21.8 37.9 39 49 A S T 3 S+ 0 0 81 86,-0.4 87,-0.1 1,-0.3 3,-0.1 0.710 120.5 43.1 -67.4 -20.9 11.9 22.8 40.2 40 50 A K T 3 S- 0 0 160 1,-0.3 -1,-0.3 85,-0.2 2,-0.2 -0.129 126.0 -62.2-119.6 38.0 12.3 26.3 38.8 41 51 A G E < -D 38 0A 8 -3,-1.1 -3,-1.9 84,-0.1 2,-0.4 -0.548 68.7 -51.3 115.0 177.3 12.7 25.9 35.1 42 52 A L E -De 37 69A 0 26,-3.2 28,-2.4 -5,-0.2 29,-1.0 -0.779 42.3-164.0 -97.5 139.0 15.1 24.3 32.6 43 53 A V E -De 36 71A 0 -7,-2.5 -7,-3.1 -2,-0.4 2,-0.3 -0.985 6.0-162.6-126.5 122.6 18.8 24.9 32.6 44 54 A L E -De 35 72A 0 27,-2.0 29,-2.1 -2,-0.5 2,-0.6 -0.703 17.0-142.9-103.2 151.4 21.1 24.1 29.6 45 55 A V E S-De 34 73A 0 -11,-2.1 -11,-1.0 -2,-0.3 29,-0.2 -0.983 79.2 -14.3-112.2 108.6 24.8 23.7 29.4 46 56 A D - 0 0 0 27,-3.6 -1,-0.2 -2,-0.6 36,-0.1 0.442 69.1-125.6 74.5 150.8 25.7 25.2 26.0 47 57 A S - 0 0 2 34,-2.5 2,-0.3 1,-0.2 35,-0.1 0.385 38.1 -84.7 -98.6-127.3 23.4 26.1 23.1 48 58 A S - 0 0 0 2,-0.2 36,-0.6 31,-0.1 35,-0.3 -0.842 41.4 -78.0-142.4-179.1 23.8 24.9 19.5 49 59 A W S S- 0 0 64 -2,-0.3 2,-0.2 34,-0.2 32,-0.1 0.790 105.2 -12.3 -49.9 -38.7 25.5 25.5 16.1 50 60 A D S > S- 0 0 71 30,-0.1 4,-2.1 34,-0.1 34,-0.3 -0.871 77.4 -86.3-151.2-175.8 23.2 28.4 15.2 51 61 A D H > S+ 0 0 54 32,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.825 119.5 55.5 -71.5 -31.5 19.9 30.2 16.0 52 62 A K H > S+ 0 0 166 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.968 114.8 38.1 -65.7 -50.9 17.7 27.9 14.0 53 63 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.875 116.9 52.0 -67.0 -41.2 18.9 24.7 15.8 54 64 A T H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.951 110.7 46.9 -62.5 -48.1 19.1 26.5 19.2 55 65 A K H X S+ 0 0 99 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.950 113.4 48.7 -59.3 -48.4 15.5 27.8 18.9 56 66 A E H X S+ 0 0 53 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.889 110.5 51.7 -57.9 -41.9 14.2 24.3 17.9 57 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.961 112.4 45.9 -57.6 -52.5 16.2 22.7 20.8 58 68 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.926 111.3 51.0 -57.3 -49.1 14.6 25.2 23.2 59 69 A E H X S+ 0 0 90 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.873 110.6 52.3 -59.5 -34.4 11.1 24.7 21.8 60 70 A M H X S+ 0 0 28 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.962 113.5 38.7 -67.1 -54.9 11.6 20.9 22.1 61 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.879 114.4 54.5 -66.1 -37.2 12.6 20.8 25.8 62 72 A E H X>S+ 0 0 35 -4,-2.6 4,-0.9 -5,-0.3 5,-0.6 0.896 111.7 45.6 -64.2 -37.5 10.1 23.6 26.8 63 73 A K H <5S+ 0 0 157 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.917 115.1 47.9 -69.8 -43.4 7.3 21.5 25.2 64 74 A K H <5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.922 124.9 27.2 -64.4 -49.0 8.5 18.3 26.8 65 75 A F H <5S- 0 0 27 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.476 98.3-134.8 -93.9 -1.5 9.0 19.5 30.4 66 76 A Q T <5S+ 0 0 158 -4,-0.9 2,-0.3 -5,-0.3 -3,-0.2 0.860 70.3 103.2 47.4 44.6 6.3 22.3 30.0 67 77 A K S > S- 0 0 29 -2,-0.3 4,-2.8 1,-0.1 3,-2.2 -0.771 76.5-107.8-106.4 155.0 32.8 28.7 19.3 79 89 A A H 3> S+ 0 0 32 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.803 116.6 56.8 -45.0 -45.4 29.6 28.2 17.1 80 90 A D H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -31,-0.2 0.719 120.8 31.0 -64.2 -18.0 28.7 24.8 18.6 81 91 A R H <4 S+ 0 0 2 -3,-2.2 -34,-2.5 -32,-0.1 -2,-0.2 0.848 135.5 21.8-102.2 -52.3 28.6 26.4 22.0 82 92 A I H >< S+ 0 0 0 -4,-2.8 3,-1.9 -36,-0.1 -3,-0.2 0.313 86.8 113.1-103.7 5.0 27.6 30.1 21.5 83 93 A G T 3< S+ 0 0 7 -4,-2.0 3,-0.4 -5,-0.5 -32,-0.3 0.827 79.5 43.6 -48.7 -45.6 25.8 29.8 18.1 84 94 A G T >> S+ 0 0 0 -36,-0.6 4,-1.8 -34,-0.3 3,-0.6 0.083 73.3 123.1 -93.9 28.1 22.3 30.5 19.3 85 95 A I H <> S+ 0 0 4 -3,-1.9 4,-2.1 1,-0.3 -1,-0.2 0.837 73.2 54.3 -55.9 -38.2 23.2 33.4 21.6 86 96 A K H 3> S+ 0 0 107 -3,-0.4 4,-1.8 1,-0.2 -1,-0.3 0.890 107.9 51.5 -64.2 -36.5 20.8 35.8 19.8 87 97 A T H <> S+ 0 0 5 -3,-0.6 4,-0.8 2,-0.2 -2,-0.2 0.884 108.8 50.7 -65.9 -41.1 18.0 33.3 20.4 88 98 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.9 1,-0.2 3,-0.7 0.942 110.2 48.1 -63.2 -48.8 18.8 33.1 24.1 89 99 A K H ><5S+ 0 0 99 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.864 110.4 50.5 -63.4 -37.8 18.8 36.9 24.7 90 100 A E H 3<5S+ 0 0 132 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.673 109.6 51.8 -77.6 -13.5 15.5 37.5 22.8 91 101 A R T <<5S- 0 0 72 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.285 118.7-110.4-101.7 9.0 13.8 34.8 24.8 92 102 A G T < 5 + 0 0 49 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.720 64.6 154.7 70.8 23.1 14.9 36.3 28.1 93 103 A I < - 0 0 8 -5,-2.9 2,-0.6 -6,-0.2 -1,-0.2 -0.716 46.5-124.3 -87.9 125.2 17.3 33.4 28.8 94 104 A K E -f 71 0A 132 -24,-2.5 -22,-2.3 -2,-0.5 2,-0.9 -0.597 22.3-155.8 -71.1 115.9 20.3 34.3 31.1 95 105 A A E -f 72 0A 5 -2,-0.6 19,-3.6 -24,-0.2 20,-0.3 -0.780 10.9-162.1 -99.5 93.4 23.5 33.4 29.2 96 106 A H E +f 73 0A 12 -24,-2.2 -22,-2.3 -2,-0.9 2,-0.3 -0.413 23.9 141.9 -74.6 147.7 26.3 32.9 31.7 97 107 A S - 0 0 0 -24,-0.2 20,-2.2 -2,-0.1 19,-0.4 -0.948 51.5 -90.1-172.8 163.0 29.9 32.9 30.7 98 108 A T B > -g 117 0B 14 -24,-0.3 4,-1.5 -2,-0.3 18,-0.2 -0.320 44.7-107.2 -75.2 169.7 33.3 34.1 32.0 99 109 A A H > S+ 0 0 66 18,-0.6 4,-2.2 16,-0.3 5,-0.2 0.889 121.0 53.9 -65.9 -38.2 34.4 37.6 31.1 100 110 A L H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 105.7 50.8 -63.0 -43.7 36.9 36.2 28.7 101 111 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 110.3 52.3 -61.8 -37.0 34.3 34.1 26.8 102 112 A A H X S+ 0 0 5 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.934 110.4 45.3 -64.3 -48.7 32.2 37.3 26.5 103 113 A E H X S+ 0 0 118 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.839 114.4 48.9 -66.4 -33.3 35.0 39.3 25.0 104 114 A L H X S+ 0 0 23 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.822 106.7 57.1 -74.4 -28.9 36.0 36.5 22.7 105 115 A A H <>S+ 0 0 0 -4,-1.8 5,-3.4 2,-0.2 -2,-0.2 0.901 109.2 45.9 -64.6 -42.1 32.3 36.2 21.7 106 116 A K H ><5S+ 0 0 140 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.945 111.8 50.9 -64.9 -47.7 32.4 39.8 20.7 107 117 A K H 3<5S+ 0 0 165 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.833 110.5 50.3 -58.8 -35.5 35.7 39.3 18.8 108 118 A N T 3<5S- 0 0 75 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.405 121.8-106.6 -85.1 0.9 34.1 36.3 17.0 109 119 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.710 76.2 128.9 83.2 19.9 31.1 38.4 16.0 110 120 A Y < - 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