==== 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 18-SEP-98 1BVT . COMPND 2 MOLECULE: PROTEIN (BETA-LACTAMASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.CARFI,E.DUEE,O.DIDEBERG . 221 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 1 0 0 2 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 0 2 1 2 1 0 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 1 0 1 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 0 124 0, 0.0 13,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -78.7 -0.8 26.7 64.7 2 8 A V E -A 13 0A 88 11,-0.2 2,-0.6 9,-0.0 11,-0.2 -0.936 360.0-169.5-113.2 109.9 0.8 30.0 63.4 3 9 A I E -A 12 0A 51 9,-2.9 9,-2.5 -2,-0.6 2,-0.2 -0.902 16.3-161.5-101.8 118.1 3.4 31.5 65.7 4 10 A K E -A 11 0A 160 -2,-0.6 2,-0.3 7,-0.2 7,-0.2 -0.701 19.8-163.5 -96.3 177.1 4.5 35.1 64.6 5 11 A N E > -A 10 0A 58 5,-1.8 5,-1.8 -2,-0.2 -2,-0.0 -0.989 27.3-118.7-162.6 119.9 7.3 37.8 65.1 6 12 A E T 5S+ 0 0 145 -2,-0.3 4,-0.1 3,-0.2 -1,-0.0 0.210 71.4 23.9 -51.9 168.3 7.1 41.5 64.2 7 13 A T T 5S+ 0 0 108 1,-0.1 -1,-0.0 2,-0.1 3,-0.0 0.881 127.7 17.7 36.4 111.2 9.0 43.8 61.8 8 14 A G T 5S- 0 0 49 1,-0.1 -1,-0.1 16,-0.0 17,-0.1 0.923 115.4-123.4 65.8 42.0 10.6 42.0 58.8 9 15 A T T 5 - 0 0 32 15,-0.1 16,-1.7 1,-0.1 2,-0.4 0.302 36.5-170.9 -20.9 125.5 8.2 39.4 59.7 10 16 A I E < +AB 5 24A 0 -5,-1.8 -5,-1.8 14,-0.2 2,-0.3 -0.981 10.7 176.3-123.4 137.8 8.8 35.7 60.6 11 17 A S E -AB 4 23A 30 12,-1.8 12,-2.8 -2,-0.4 2,-0.4 -0.999 13.8-161.6-143.4 141.3 6.1 33.1 61.1 12 18 A I E -AB 3 22A 1 -9,-2.5 -9,-2.9 -2,-0.3 2,-0.4 -0.955 7.0-169.8-122.7 142.5 6.0 29.4 61.7 13 19 A S E -AB 2 21A 40 8,-1.9 8,-2.8 -2,-0.4 -11,-0.2 -0.996 22.7-122.7-133.9 129.8 3.0 27.2 61.1 14 20 A Q E + B 0 20A 75 -13,-2.1 6,-0.3 -2,-0.4 3,-0.1 -0.451 26.5 175.0 -76.4 138.0 2.7 23.6 62.2 15 21 A L S S- 0 0 65 4,-3.2 2,-0.2 1,-0.4 5,-0.2 0.730 72.4 -20.6-103.5 -44.9 2.1 20.8 59.7 16 22 A N S S- 0 0 35 3,-2.0 3,-0.5 1,-0.0 -1,-0.4 -0.816 89.6 -63.8-147.8-170.4 2.4 18.0 62.2 17 23 A K S S+ 0 0 157 -2,-0.2 -1,-0.0 1,-0.2 -3,-0.0 0.898 131.3 14.7 -49.5 -49.5 3.8 17.1 65.6 18 24 A N S S+ 0 0 46 22,-0.0 23,-2.7 1,-0.0 2,-0.5 0.279 112.9 80.9-114.8 11.9 7.5 17.6 64.6 19 25 A V E + C 0 40A 0 -3,-0.5 -4,-3.2 21,-0.2 -3,-2.0 -0.973 48.2 169.8-128.6 123.9 7.2 19.5 61.3 20 26 A W E -BC 14 39A 13 19,-2.4 19,-2.4 -2,-0.5 2,-0.5 -0.883 27.3-131.0-125.2 159.1 6.7 23.2 60.9 21 27 A V E -BC 13 38A 7 -8,-2.8 -8,-1.9 -2,-0.3 2,-0.5 -0.926 17.5-153.5-111.4 128.9 6.9 25.6 58.0 22 28 A H E -BC 12 37A 1 15,-2.4 15,-1.8 -2,-0.5 2,-0.4 -0.915 12.5-174.7-105.2 135.0 8.8 28.8 58.4 23 29 A T E -BC 11 36A 38 -12,-2.8 -12,-1.8 -2,-0.5 2,-0.3 -0.994 1.5-176.8-130.6 124.8 7.9 31.8 56.2 24 30 A E E -BC 10 35A 0 11,-1.7 11,-2.2 -2,-0.4 2,-0.5 -0.931 24.4-127.3-121.7 150.2 9.8 35.1 56.1 25 31 A L E - C 0 34A 81 -16,-1.7 2,-0.5 -2,-0.3 7,-0.1 -0.784 25.6-173.7 -96.4 118.8 9.0 38.3 54.2 26 32 A G E + C 0 33A 6 7,-2.6 7,-5.4 -2,-0.5 2,-0.4 -0.974 7.4 176.7-118.3 126.3 11.9 39.5 52.1 27 33 A S + 0 0 85 -2,-0.5 2,-0.4 5,-0.3 3,-0.1 -0.979 20.1 171.5-141.6 128.0 11.6 42.9 50.4 28 34 A F - 0 0 140 -2,-0.4 4,-0.1 1,-0.1 2,-0.1 -0.915 70.0 -65.2-130.1 98.8 13.9 45.0 48.3 29 35 A N S S+ 0 0 172 -2,-0.4 2,-1.0 1,-0.1 3,-0.4 -0.318 118.3 6.5 58.3-123.0 11.9 48.0 46.8 30 36 A G S S+ 0 0 70 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.701 116.8 59.1 -99.7 91.1 9.3 46.7 44.4 31 37 A E - 0 0 181 -2,-1.0 -1,-0.2 -5,-0.0 -2,-0.1 0.189 67.0-175.7-170.4 -36.1 9.1 42.9 44.4 32 38 A A + 0 0 64 -3,-0.4 -5,-0.3 1,-0.1 -2,-0.0 0.807 10.4 179.4 25.6 112.6 8.2 41.9 48.1 33 39 A V E -C 26 0A 53 -7,-5.4 -7,-2.6 2,-0.0 2,-0.6 -0.954 32.4-145.3-157.3 148.0 8.1 38.2 48.9 34 40 A P E -C 25 0A 45 0, 0.0 171,-0.6 0, 0.0 2,-0.3 -0.793 25.6-166.2 -89.7 119.2 7.5 35.5 51.5 35 41 A S E -CD 24 204A 1 -11,-2.2 -11,-1.7 -2,-0.6 2,-0.3 -0.705 9.0-137.0-103.4 158.0 9.7 32.4 51.1 36 42 A N E +C 23 0A 9 167,-3.2 2,-0.3 -2,-0.3 -13,-0.2 -0.843 26.6 157.1-113.7 161.3 9.2 29.1 52.9 37 43 A G E -C 22 0A 0 -15,-1.8 -15,-2.4 -2,-0.3 2,-0.3 -0.855 35.4-105.0-161.6 176.0 11.4 26.5 54.6 38 44 A L E -CE 21 49A 0 11,-1.4 11,-2.4 -17,-0.3 2,-0.5 -0.864 11.6-152.9-116.6 158.6 10.8 23.8 57.2 39 45 A V E -CE 20 48A 0 -19,-2.4 -19,-2.4 -2,-0.3 2,-0.6 -0.998 14.9-161.2-126.1 116.0 11.7 23.4 60.9 40 46 A L E -CE 19 47A 0 7,-3.4 7,-2.0 -2,-0.5 2,-1.0 -0.919 7.0-152.1-105.0 119.3 12.1 19.8 62.0 41 47 A N E + E 0 46A 26 -23,-2.7 2,-0.2 -2,-0.6 5,-0.2 -0.801 29.1 171.0 -90.4 99.1 11.8 19.2 65.7 42 48 A T E > - E 0 45A 6 3,-1.8 3,-1.1 -2,-1.0 88,-0.2 -0.654 48.2-113.7-106.0 167.6 14.0 16.2 66.3 43 49 A S T 3 S+ 0 0 97 86,-0.3 87,-0.2 1,-0.2 3,-0.1 0.617 118.9 51.9 -73.5 -10.0 15.2 14.6 69.5 44 50 A K T 3 S- 0 0 164 1,-0.4 -1,-0.2 85,-0.2 2,-0.2 0.386 126.5 -74.9-105.2 0.2 18.7 15.6 68.6 45 51 A G E < -E 42 0A 4 -3,-1.1 -3,-1.8 84,-0.1 -1,-0.4 -0.769 65.4 -45.0 132.4-179.8 17.9 19.2 67.9 46 52 A L E -Ef 41 73A 0 26,-2.6 28,-2.7 -2,-0.2 29,-1.1 -0.704 45.2-166.3 -90.1 137.8 16.3 21.5 65.4 47 53 A V E -Ef 40 75A 0 -7,-2.0 -7,-3.4 -2,-0.3 2,-0.4 -0.992 6.9-155.8-124.7 129.5 17.0 21.0 61.6 48 54 A L E -Ef 39 76A 0 27,-2.3 29,-2.3 -2,-0.4 2,-0.7 -0.841 14.0-144.5-107.4 143.8 16.0 23.6 59.1 49 55 A V E S-Ef 38 77A 0 -11,-2.4 -11,-1.4 -2,-0.4 29,-0.2 -0.972 82.3 -11.0-104.9 109.2 15.3 23.2 55.4 50 56 A D - 0 0 0 27,-3.5 -1,-0.2 -2,-0.7 28,-0.1 0.493 68.5-129.5 75.7 147.6 16.7 26.4 54.1 51 57 A S - 0 0 2 34,-1.8 2,-0.3 1,-0.1 35,-0.1 0.401 41.5 -89.8 -93.8-126.7 17.8 29.6 55.9 52 58 A S - 0 0 0 2,-0.2 36,-0.5 31,-0.1 35,-0.2 -0.915 38.4 -75.3-149.3 175.9 16.4 33.0 54.9 53 59 A W S S- 0 0 40 -2,-0.3 2,-0.2 31,-0.2 32,-0.1 0.800 106.1 -10.2 -38.7 -48.6 16.9 36.1 52.7 54 60 A D S > S- 0 0 54 30,-0.1 4,-1.6 34,-0.1 34,-0.2 -0.796 76.8 -89.3-143.7-173.1 19.7 37.5 54.9 55 61 A D H > S+ 0 0 42 32,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.912 118.0 58.5 -72.8 -40.8 21.6 37.2 58.1 56 62 A K H > S+ 0 0 163 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.884 112.6 39.7 -55.8 -42.3 19.2 39.4 60.1 57 63 A L H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.848 113.2 55.7 -76.1 -35.2 16.2 37.2 59.3 58 64 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.905 107.1 49.0 -65.2 -41.9 18.2 34.1 59.7 59 65 A K H X S+ 0 0 62 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.935 111.9 49.2 -62.6 -46.4 19.3 35.0 63.3 60 66 A E H X S+ 0 0 63 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.876 110.7 50.3 -60.0 -42.5 15.7 35.9 64.2 61 67 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.934 113.0 45.3 -61.1 -51.4 14.4 32.6 62.8 62 68 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.962 114.6 48.7 -58.2 -49.8 17.0 30.6 64.8 63 69 A E H X S+ 0 0 98 -4,-3.0 4,-1.9 1,-0.2 5,-0.2 0.891 110.7 51.4 -60.1 -38.5 16.4 32.6 67.9 64 70 A M H X S+ 0 0 29 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.937 115.3 39.8 -65.6 -47.7 12.6 32.1 67.6 65 71 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.857 112.6 54.6 -72.5 -35.7 12.7 28.4 67.2 66 72 A E H X>S+ 0 0 28 -4,-2.9 4,-1.2 -5,-0.2 5,-0.8 0.952 111.9 44.7 -62.9 -44.3 15.5 27.7 69.7 67 73 A K H <5S+ 0 0 167 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.942 117.1 45.4 -64.6 -47.1 13.5 29.5 72.4 68 74 A K H <5S+ 0 0 96 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.916 122.6 31.6 -64.2 -52.1 10.2 27.8 71.5 69 75 A F H <5S- 0 0 25 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.513 101.0-131.1 -85.7 -7.0 11.3 24.2 71.1 70 76 A Q T <5S+ 0 0 153 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.910 71.7 92.7 57.8 46.5 14.0 24.5 73.8 71 77 A K S > S- 0 0 38 1,-0.1 4,-2.5 4,-0.0 3,-1.7 -0.533 78.5-106.2 -85.0 161.5 20.0 31.9 45.6 83 89 A A H 3> S+ 0 0 40 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.782 115.1 59.5 -53.6 -41.1 19.7 34.6 48.4 84 90 A D H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -31,-0.2 0.707 119.1 32.5 -64.5 -16.6 16.3 33.5 49.7 85 91 A R H <4 S+ 0 0 2 -3,-1.7 -34,-1.8 -32,-0.1 -2,-0.2 0.791 134.2 22.8-103.8 -43.3 17.9 30.1 50.4 86 92 A I H >< S+ 0 0 0 -4,-2.5 3,-2.2 -35,-0.1 4,-0.2 0.355 84.4 108.0-111.2 3.3 21.5 30.9 51.3 87 93 A G T 3< S+ 0 0 8 -4,-2.1 3,-0.3 -5,-0.3 -32,-0.3 0.722 83.0 49.6 -56.2 -26.0 21.5 34.5 52.4 88 94 A G T 3> S+ 0 0 0 -36,-0.5 4,-2.0 -34,-0.2 3,-0.3 0.161 73.2 114.5-101.4 22.9 22.0 33.5 56.1 89 95 A I H <> S+ 0 0 3 -3,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.828 72.8 56.6 -60.8 -34.2 25.0 31.2 55.4 90 96 A K H > S+ 0 0 102 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.908 107.8 48.3 -64.0 -43.5 27.4 33.5 57.4 91 97 A T H > S+ 0 0 0 -3,-0.3 4,-1.5 2,-0.2 6,-0.2 0.910 112.4 48.6 -62.5 -46.4 25.2 33.3 60.5 92 98 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 1,-0.2 4,-0.3 0.937 112.8 48.4 -60.3 -46.7 25.0 29.5 60.2 93 99 A K H ><5S+ 0 0 89 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.903 111.7 47.1 -62.3 -45.7 28.8 29.2 59.8 94 100 A E H 3<5S+ 0 0 113 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 111.5 51.8 -71.6 -22.2 29.8 31.4 62.7 95 101 A R T 3<5S- 0 0 93 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.411 115.5-111.2 -93.3 2.5 27.3 29.7 65.1 96 102 A G T < 5 + 0 0 65 -3,-1.0 2,-0.5 -4,-0.3 -3,-0.2 0.760 64.7 151.9 74.9 24.5 28.6 26.2 64.3 97 103 A I < - 0 0 9 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.797 49.1-119.7 -92.0 123.2 25.3 25.2 62.5 98 104 A K E -g 75 0A 117 -24,-2.4 -22,-3.3 -2,-0.5 2,-0.8 -0.532 23.3-158.2 -66.8 120.6 26.0 22.5 59.8 99 105 A A E -g 76 0A 3 -2,-0.4 19,-3.8 -24,-0.2 20,-0.3 -0.841 10.7-164.6-105.9 98.7 25.0 23.8 56.3 100 106 A H E +g 77 0A 12 -24,-3.1 -22,-2.6 -2,-0.8 2,-0.3 -0.590 22.8 139.9 -83.6 149.6 24.4 20.8 54.0 101 107 A S - 0 0 0 -2,-0.2 20,-2.8 -24,-0.2 19,-0.4 -0.950 52.1 -84.4-172.1 170.3 24.2 21.2 50.2 102 108 A T B > -h 121 0B 13 -24,-0.3 4,-2.3 -2,-0.3 17,-0.2 -0.470 44.1-108.7 -82.2 166.0 25.3 19.5 47.0 103 109 A A H > S+ 0 0 55 18,-0.7 4,-2.7 16,-0.3 5,-0.2 0.883 121.0 54.4 -63.1 -33.8 28.8 20.2 45.7 104 110 A L H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.922 107.0 48.1 -68.8 -41.3 27.2 22.2 42.9 105 111 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 112.6 50.6 -63.3 -42.1 25.2 24.4 45.3 106 112 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.946 111.5 47.6 -58.6 -51.3 28.5 24.9 47.2 107 113 A E H X S+ 0 0 110 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.870 113.7 46.9 -53.1 -52.7 30.4 25.8 44.0 108 114 A L H X S+ 0 0 23 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.890 111.3 51.4 -61.5 -41.4 27.7 28.2 42.9 109 115 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.2 4,-0.2 0.955 112.8 45.5 -60.6 -48.2 27.6 29.8 46.3 110 116 A K H ><5S+ 0 0 142 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.924 110.4 54.7 -59.9 -45.2 31.4 30.3 46.3 111 117 A K H 3<5S+ 0 0 163 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.884 109.6 48.2 -56.1 -40.7 31.2 31.6 42.7 112 118 A N T 3<5S- 0 0 96 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.311 124.2 -97.4 -87.1 7.9 28.7 34.3 43.8 113 119 A G T < 5S+ 0 0 71 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.657 80.2 128.0 89.0 13.8 30.6 35.5 46.8 114 120 A Y < - 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