==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-97 2BC2 . COMPND 2 MOLECULE: METALLO BETA-LACTAMASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR S.M.FABIANE,B.J.SUTTON . 434 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18703.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 70.5 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 . 91 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 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 . 7 1.6 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 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 . 4 0 6 0 2 4 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 . 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 0 104 0, 0.0 13,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.8 15.3 7.2 26.9 2 8 A V E -A 13 0A 84 11,-0.2 2,-0.4 9,-0.0 11,-0.2 -0.894 360.0-169.7-117.4 145.2 16.0 9.2 23.7 3 9 A I E +A 12 0A 48 9,-2.2 9,-2.0 -2,-0.3 2,-0.2 -0.982 14.6 169.5-137.8 121.9 13.8 11.9 22.0 4 10 A K E -A 11 0A 131 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.690 30.9-105.6-124.9 177.6 14.5 13.3 18.5 5 11 A N > - 0 0 23 5,-1.2 3,-0.9 -2,-0.2 -1,-0.0 -0.566 41.3-100.7 -98.3 165.3 13.0 15.4 15.8 6 12 A E T 3 S+ 0 0 198 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.828 125.4 47.7 -56.1 -34.9 11.6 14.2 12.4 7 13 A T T 3 S- 0 0 105 1,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.691 105.9-132.1 -79.1 -20.4 14.8 15.2 10.6 8 14 A G S < S+ 0 0 28 -3,-0.9 -2,-0.1 2,-0.2 3,-0.0 0.471 73.8 118.2 82.0 3.5 16.9 13.6 13.3 9 15 A T S S+ 0 0 36 1,-0.1 16,-1.9 15,-0.1 2,-0.5 0.773 70.4 50.7 -72.3 -28.2 19.2 16.6 13.7 10 16 A I E + B 0 24A 0 14,-0.2 -5,-1.2 48,-0.0 2,-0.3 -0.959 66.5 171.0-118.8 125.7 18.2 17.2 17.4 11 17 A S E -AB 4 23A 14 12,-2.7 12,-3.1 -2,-0.5 2,-0.4 -0.968 15.6-164.1-132.6 145.2 18.3 14.4 20.0 12 18 A I E -AB 3 22A 2 -9,-2.0 -9,-2.2 -2,-0.3 2,-0.4 -0.994 10.1-172.5-131.9 122.3 17.9 14.4 23.8 13 19 A S E -AB 2 21A 40 8,-2.7 8,-3.3 -2,-0.4 2,-0.4 -0.959 23.0-122.2-119.4 136.3 18.9 11.4 25.9 14 20 A Q E + B 0 20A 76 -13,-2.6 6,-0.3 -2,-0.4 3,-0.1 -0.602 26.1 174.9 -81.2 127.2 18.3 10.8 29.6 15 21 A L E S- 0 0 62 4,-2.9 2,-0.2 -2,-0.4 5,-0.2 0.809 70.9 -28.7 -91.4 -43.4 21.3 10.3 31.9 16 22 A N E > S- B 0 19A 36 3,-2.0 3,-0.5 0, 0.0 -1,-0.3 -0.866 91.5 -51.1-155.7-170.9 19.3 10.3 35.1 17 23 A K T 3 S+ 0 0 153 -2,-0.2 -3,-0.0 1,-0.2 3,-0.0 0.830 132.6 6.3 -39.5 -53.4 16.1 11.6 36.8 18 24 A N T 3 S+ 0 0 57 20,-0.0 21,-2.5 -4,-0.0 2,-0.5 0.265 113.2 88.4-121.4 11.1 16.7 15.3 35.9 19 25 A V E < +BC 16 38A 0 -3,-0.5 -4,-2.9 19,-0.2 -3,-2.0 -0.949 46.0 167.4-118.5 126.5 19.8 15.2 33.6 20 26 A W E -BC 14 37A 12 17,-2.2 17,-2.6 -2,-0.5 2,-0.5 -0.911 28.8-130.5-131.0 158.3 19.6 14.8 29.9 21 27 A V E -BC 13 36A 11 -8,-3.3 -8,-2.7 -2,-0.3 2,-0.4 -0.947 17.0-154.4-112.0 126.8 22.1 15.2 27.1 22 28 A H E -BC 12 35A 0 13,-1.8 13,-2.0 -2,-0.5 2,-0.4 -0.868 12.7-173.1-101.2 136.3 21.1 17.3 24.0 23 29 A T E -BC 11 34A 32 -12,-3.1 -12,-2.7 -2,-0.4 2,-0.4 -0.995 3.8-175.3-133.0 127.6 22.9 16.5 20.8 24 30 A E E -BC 10 33A 0 9,-1.7 9,-1.0 -2,-0.4 2,-0.6 -0.966 19.7-135.8-124.6 142.4 22.6 18.4 17.5 25 31 A L E - C 0 32A 59 -16,-1.9 2,-0.7 -2,-0.4 5,-0.1 -0.842 14.6-157.8 -98.1 121.7 24.1 17.7 14.1 26 32 A G E C 0 31A 11 5,-3.3 5,-1.6 -2,-0.6 56,-0.0 -0.898 360.0 360.0-103.0 113.0 25.7 20.6 12.3 27 33 A S 0 0 134 -2,-0.7 3,-0.3 3,-0.3 -2,-0.0 -0.560 360.0 360.0 -73.1 360.0 25.9 20.1 8.5 28 ! 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 29 37 A E 0 0 210 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 102.3 28.7 16.4 6.6 30 38 A A - 0 0 58 -3,-0.3 -3,-0.3 -5,-0.1 -5,-0.1 -0.601 360.0-166.3 -76.8 127.8 26.7 16.3 9.9 31 39 A V E -C 26 0A 64 -5,-1.6 -5,-3.3 -2,-0.4 -7,-0.1 -0.958 10.9-143.3-120.7 113.5 28.8 17.3 12.9 32 40 A P E -C 25 0A 43 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.309 13.5-170.0 -76.1 156.9 27.4 16.5 16.4 33 41 A S E -C 24 0A 1 -9,-1.0 -9,-1.7 169,-0.1 2,-0.3 -0.985 11.9-143.6-146.5 132.8 27.7 18.6 19.5 34 42 A N E +C 23 0A 9 167,-3.4 2,-0.3 -2,-0.3 -11,-0.2 -0.789 26.5 153.7-100.9 151.0 26.7 17.6 23.1 35 43 A G E -C 22 0A 0 -13,-2.0 -13,-1.8 -2,-0.3 2,-0.3 -0.851 35.9-106.0-155.4 179.1 25.2 19.7 25.8 36 44 A L E -CD 21 47A 0 11,-1.4 11,-2.1 -15,-0.3 2,-0.5 -0.891 11.8-155.8-120.4 152.9 23.0 19.1 28.9 37 45 A V E -CD 20 46A 0 -17,-2.6 -17,-2.2 -2,-0.3 2,-0.6 -0.996 14.3-162.2-123.5 118.0 19.4 19.8 29.7 38 46 A L E -CD 19 45A 0 7,-3.6 7,-2.3 -2,-0.5 2,-0.9 -0.927 6.4-153.2-108.4 118.7 18.7 20.1 33.4 39 47 A N E + D 0 44A 26 -21,-2.5 2,-0.2 -2,-0.6 5,-0.2 -0.815 27.9 172.6 -91.0 104.2 15.1 19.7 34.5 40 48 A T E > - D 0 43A 7 3,-2.0 3,-1.5 -2,-0.9 88,-0.2 -0.698 48.4-107.5-111.6 168.6 14.7 21.7 37.7 41 49 A S T 3 S+ 0 0 95 86,-0.3 87,-0.1 1,-0.3 3,-0.1 0.666 120.5 43.4 -65.6 -15.7 11.8 22.7 40.0 42 50 A K T 3 S- 0 0 162 1,-0.4 -1,-0.3 85,-0.2 2,-0.2 0.113 126.4 -63.8-119.4 23.4 12.2 26.2 38.7 43 51 A G E < -D 40 0A 7 -3,-1.5 -3,-2.0 84,-0.1 -1,-0.4 -0.718 67.2 -50.7 125.9-179.8 12.7 25.7 34.9 44 52 A L E -De 39 71A 0 26,-3.2 28,-2.5 -2,-0.2 29,-1.1 -0.763 41.7-164.9 -97.4 140.0 15.1 24.2 32.4 45 53 A V E -De 38 73A 0 -7,-2.3 -7,-3.6 -2,-0.4 2,-0.3 -0.990 5.8-159.7-125.7 130.4 18.8 24.9 32.4 46 54 A L E -De 37 74A 0 27,-2.4 29,-2.1 -2,-0.4 2,-0.7 -0.803 16.1-145.6-110.3 149.8 21.0 24.1 29.5 47 55 A V E S-De 36 75A 0 -11,-2.1 -11,-1.4 -2,-0.3 29,-0.2 -0.987 81.1 -9.4-110.0 107.7 24.8 23.6 29.4 48 56 A D - 0 0 0 27,-3.3 -1,-0.3 -2,-0.7 36,-0.1 0.487 68.3-129.5 78.0 144.2 25.6 25.0 25.9 49 57 A S - 0 0 0 34,-2.3 2,-0.3 1,-0.1 35,-0.1 0.346 39.1 -87.6 -94.4-131.6 23.3 26.1 23.1 50 58 A S - 0 0 0 2,-0.2 36,-0.5 31,-0.1 35,-0.3 -0.857 39.8 -77.3-142.1 178.2 23.8 24.9 19.5 51 59 A W S S- 0 0 64 -2,-0.3 2,-0.2 34,-0.2 32,-0.1 0.777 104.8 -11.9 -43.9 -43.7 25.5 25.5 16.1 52 60 A D S > S- 0 0 71 30,-0.1 4,-1.9 34,-0.1 34,-0.2 -0.819 78.4 -86.1-147.5-172.5 23.2 28.4 15.1 53 61 A D H > S+ 0 0 52 32,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.837 119.7 55.2 -74.4 -32.6 19.9 30.1 15.9 54 62 A K H > S+ 0 0 160 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 114.1 40.2 -65.3 -47.6 17.7 27.8 13.9 55 63 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 116.4 50.8 -67.3 -42.5 19.0 24.7 15.8 56 64 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.926 111.6 46.3 -63.0 -46.0 19.0 26.5 19.1 57 65 A K H X S+ 0 0 99 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.935 113.7 49.5 -62.4 -43.9 15.5 27.7 18.9 58 66 A E H X S+ 0 0 60 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.885 111.0 50.1 -61.2 -41.3 14.3 24.3 17.7 59 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.957 112.6 46.2 -61.0 -51.8 16.2 22.7 20.7 60 68 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.915 111.0 52.4 -58.0 -45.4 14.5 25.1 23.1 61 69 A E H X S+ 0 0 85 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.891 110.0 51.5 -58.2 -40.9 11.1 24.6 21.6 62 70 A M H X S+ 0 0 26 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.952 113.5 39.1 -63.4 -54.1 11.6 20.8 22.0 63 71 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.867 114.7 53.9 -67.8 -35.1 12.6 20.7 25.7 64 72 A E H X>S+ 0 0 41 -4,-2.5 4,-1.3 -5,-0.3 5,-0.8 0.902 112.8 43.3 -66.1 -38.8 10.0 23.4 26.6 65 73 A K H <5S+ 0 0 163 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.889 116.2 50.7 -70.7 -39.9 7.2 21.4 25.0 66 74 A K H <5S+ 0 0 97 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.965 124.4 24.5 -62.7 -55.7 8.6 18.2 26.6 67 75 A F H <5S- 0 0 34 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.498 99.2-129.1 -92.2 -4.4 8.9 19.4 30.2 68 76 A Q T <5S+ 0 0 159 -4,-1.3 2,-0.3 -5,-0.3 -3,-0.2 0.887 71.4 101.0 57.5 43.4 6.2 22.1 29.9 69 77 A K S > S- 0 0 31 -2,-0.8 4,-2.8 1,-0.1 3,-2.1 -0.788 78.9-103.5-111.7 157.4 32.7 28.8 19.3 81 89 A A H 3> S+ 0 0 31 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.826 117.4 55.6 -43.3 -49.4 29.6 28.2 17.1 82 90 A D H 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.2 -31,-0.2 0.712 120.3 32.3 -62.3 -18.8 28.7 24.8 18.6 83 91 A R H <4 S+ 0 0 0 -3,-2.1 -34,-2.3 -32,-0.1 -2,-0.2 0.828 136.2 18.5-103.8 -43.8 28.6 26.4 22.0 84 92 A I H >< S+ 0 0 0 -4,-2.8 3,-1.9 -36,-0.1 -3,-0.2 0.265 85.8 112.9-115.7 9.8 27.4 30.0 21.5 85 93 A G T 3< S+ 0 0 8 -4,-2.2 3,-0.3 -5,-0.4 -32,-0.3 0.769 80.8 47.0 -55.8 -30.6 25.8 29.8 18.0 86 94 A G T 3> S+ 0 0 0 -36,-0.5 4,-1.9 -34,-0.2 3,-0.4 0.081 71.6 121.3-102.5 26.8 22.3 30.5 19.3 87 95 A I H <> S+ 0 0 5 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.869 73.2 55.2 -55.7 -40.7 23.1 33.4 21.6 88 96 A K H > S+ 0 0 110 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.911 107.4 50.5 -60.5 -40.5 20.7 35.7 19.8 89 97 A T H > S+ 0 0 3 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.903 110.4 50.3 -63.2 -41.5 17.9 33.2 20.3 90 98 A L H ><>S+ 0 0 0 -4,-1.9 5,-2.7 1,-0.2 3,-0.7 0.954 111.7 46.5 -61.7 -51.1 18.8 33.1 24.0 91 99 A K H ><5S+ 0 0 101 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.850 110.5 52.2 -63.5 -34.1 18.7 36.8 24.4 92 100 A E H 3<5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.737 110.8 48.8 -75.7 -19.9 15.5 37.3 22.6 93 101 A R T <<5S- 0 0 73 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.251 116.9-109.8-101.7 10.8 13.7 34.7 24.8 94 102 A G T < 5 + 0 0 44 -3,-1.0 2,-0.5 1,-0.2 -3,-0.2 0.739 65.4 153.7 68.7 23.4 14.9 36.2 28.0 95 103 A I < - 0 0 7 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.2 -0.746 47.1-124.1 -88.2 124.8 17.3 33.3 28.7 96 104 A K E -f 73 0A 120 -24,-2.5 -22,-2.5 -2,-0.5 2,-1.0 -0.598 20.1-154.8 -72.6 115.9 20.3 34.2 30.8 97 105 A A E -f 74 0A 6 -2,-0.6 19,-3.3 -24,-0.2 20,-0.3 -0.777 13.1-161.4 -94.9 93.6 23.4 33.3 28.9 98 106 A H E +f 75 0A 13 -24,-2.7 -22,-2.4 -2,-1.0 2,-0.3 -0.474 24.2 142.8 -76.2 145.4 26.1 32.7 31.6 99 107 A S - 0 0 0 -24,-0.2 20,-2.4 -2,-0.2 19,-0.2 -0.962 51.2 -90.7-169.3 164.0 29.8 32.8 30.6 100 108 A T B > -g 119 0B 13 -24,-0.3 4,-1.6 -2,-0.3 17,-0.2 -0.417 44.5-108.4 -76.9 165.1 33.1 33.9 32.0 101 109 A A H > S+ 0 0 67 18,-0.7 4,-2.3 16,-0.4 5,-0.1 0.894 120.9 54.1 -61.3 -39.9 34.2 37.5 31.1 102 110 A L H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.895 105.9 51.5 -62.3 -41.7 36.9 36.1 28.7 103 111 A T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.861 110.3 49.9 -63.1 -35.9 34.2 34.0 26.9 104 112 A A H X S+ 0 0 4 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.911 110.3 50.2 -67.4 -42.8 32.2 37.2 26.5 105 113 A E H X S+ 0 0 121 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.941 114.3 43.5 -60.0 -49.9 35.2 39.1 25.2 106 114 A L H X S+ 0 0 25 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.805 108.3 58.8 -67.9 -30.4 36.0 36.3 22.6 107 115 A A H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.928 107.4 47.5 -63.3 -44.1 32.3 36.0 21.6 108 116 A K H ><5S+ 0 0 142 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.930 111.1 50.9 -61.2 -47.5 32.3 39.7 20.7 109 117 A K H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 108.9 51.6 -60.9 -33.4 35.5 39.2 18.7 110 118 A N T 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.342 123.2-104.7 -87.0 5.1 34.0 36.2 16.8 111 119 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.543 77.6 130.7 85.5 8.2 31.0 38.3 15.9 112 120 A Y < - 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