==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 25-APR-12 4EUZ . COMPND 2 MOLECULE: CARBAPENEM-HYDROLIZING BETA-LACTAMASE SFC-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA FONTICOLA; . AUTHOR F.FONSECA,J.SPENCER . 270 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 0 0 0 0 1 2 1 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 2 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 22 A A 0 0 126 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.0 -21.3 -32.5 -0.1 2 23 A S - 0 0 48 1,-0.1 266,-0.2 266,-0.0 265,-0.1 -0.263 360.0 -92.1 -66.9 157.5 -21.8 -28.9 1.3 3 24 A Q - 0 0 44 264,-2.6 -1,-0.1 263,-0.1 5,-0.1 -0.504 48.3 -91.5 -72.9 147.0 -25.2 -27.1 1.0 4 25 A P >> - 0 0 80 0, 0.0 4,-1.4 0, 0.0 3,-1.1 -0.337 33.8-125.7 -55.2 137.7 -26.0 -25.0 -2.0 5 26 A P H 3> S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 109.1 57.8 -54.2 -37.4 -25.0 -21.4 -1.3 6 27 A Q H 3> S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.828 101.0 55.6 -66.2 -32.8 -28.4 -20.2 -2.2 7 28 A V H <> S+ 0 0 52 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.944 110.4 45.4 -58.8 -45.8 -30.0 -22.4 0.5 8 29 A T H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.925 113.4 50.1 -64.8 -44.1 -27.7 -20.7 3.1 9 30 A V H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.936 108.6 53.0 -57.2 -47.2 -28.6 -17.3 1.7 10 31 A D H X S+ 0 0 58 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.905 110.1 47.7 -57.3 -44.1 -32.3 -18.1 1.8 11 32 A K H X S+ 0 0 77 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.912 112.3 48.8 -63.4 -44.5 -32.0 -19.0 5.5 12 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.873 108.0 54.4 -66.0 -37.3 -30.0 -15.9 6.4 13 34 A K H X S+ 0 0 94 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 108.6 48.5 -65.1 -40.2 -32.5 -13.7 4.6 14 35 A R H X S+ 0 0 148 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.929 111.9 49.9 -63.1 -40.8 -35.3 -15.2 6.7 15 36 A L H X S+ 0 0 19 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.921 108.7 53.1 -62.1 -43.9 -33.3 -14.6 9.8 16 37 A E H X>S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 5,-1.3 0.896 107.2 51.0 -55.4 -41.2 -32.6 -11.1 8.9 17 38 A N H <5S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.5 46.9 -71.8 -36.0 -36.2 -10.4 8.4 18 39 A D H <5S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.0 48.9 -68.5 -36.2 -37.0 -11.8 11.8 19 40 A F H <5S- 0 0 15 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.830 101.5-134.1 -67.2 -36.4 -34.2 -9.8 13.4 20 41 A G T <5S+ 0 0 45 -4,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.793 72.6 62.4 77.8 32.4 -35.2 -6.5 11.7 21 42 A G S -A 237 0A 13 5,-3.0 4,-2.5 -2,-0.4 3,-0.2 -0.816 16.1-159.1 -81.9 106.6 -12.9 -23.8 5.7 30 51 A T T 4 S+ 0 0 30 206,-2.2 -1,-0.1 -2,-0.9 207,-0.1 0.614 85.1 50.3 -69.8 -12.5 -9.1 -23.7 6.2 31 52 A G T 4 S+ 0 0 50 205,-0.3 -1,-0.2 204,-0.1 206,-0.1 0.833 125.4 21.6 -90.6 -37.1 -8.7 -27.3 5.0 32 53 A S T 4 S- 0 0 55 -3,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.523 93.9-131.6-100.7 -14.5 -10.7 -27.2 1.7 33 54 A N < + 0 0 114 -4,-2.5 -3,-0.1 1,-0.2 2,-0.1 0.542 53.8 151.3 64.9 13.2 -10.5 -23.5 1.3 34 55 A K - 0 0 97 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.455 25.3-168.0 -65.9 142.9 -14.3 -23.5 0.6 35 56 A T E -B 28 0A 72 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.927 16.7-163.8-130.8 161.6 -15.8 -20.2 1.6 36 57 A F E +B 27 0A 15 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.3 -0.976 11.8 175.3-144.2 135.5 -19.3 -18.7 2.2 37 59 A G E -B 26 0A 31 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.971 15.9-176.8-138.8 153.8 -20.4 -15.1 2.4 38 60 A Y E S-B 25 0A 30 -13,-1.7 -13,-2.7 -2,-0.3 4,-0.1 -0.955 92.0 -10.5-144.5 121.8 -23.6 -13.1 2.7 39 61 A R S > S+ 0 0 86 -2,-0.3 3,-1.6 -15,-0.2 124,-0.1 0.821 92.5 155.2 52.3 31.9 -23.3 -9.3 2.7 40 62 A A T 3 + 0 0 9 1,-0.3 123,-2.4 122,-0.1 124,-0.4 0.703 64.5 43.0 -69.2 -24.4 -19.6 -10.3 3.0 41 63 A N T 3 S+ 0 0 106 121,-0.1 2,-0.3 120,-0.1 -1,-0.3 0.247 88.8 109.0-105.6 13.3 -18.3 -7.0 1.5 42 64 A E S < S- 0 0 59 -3,-1.6 2,-0.3 -4,-0.1 121,-0.1 -0.655 72.7-114.8 -84.4 142.3 -20.6 -4.7 3.3 43 65 A R + 0 0 73 -2,-0.3 118,-0.2 118,-0.2 111,-0.2 -0.604 35.6 176.9 -79.5 138.5 -19.1 -2.5 6.0 44 66 A F E -E 160 0B 1 116,-2.6 116,-1.9 -2,-0.3 2,-0.1 -0.969 39.2 -91.6-131.3 151.4 -20.1 -2.9 9.6 45 67 A P E -E 159 0B 15 0, 0.0 114,-0.3 0, 0.0 198,-0.2 -0.363 27.0-147.2 -61.1 136.5 -18.9 -1.2 12.7 46 68 A L > + 0 0 0 112,-2.5 3,-2.1 94,-0.2 113,-0.1 0.849 27.4 175.4 -68.0 -38.2 -16.1 -3.0 14.4 47 69 A a G > S- 0 0 0 111,-0.5 3,-1.1 101,-0.4 -1,-0.1 -0.287 73.4 -23.2 51.5-143.2 -17.0 -2.0 17.9 48 70 A A G > S+ 0 0 6 1,-0.2 3,-2.4 2,-0.1 4,-0.3 0.545 117.2 96.1 -68.8 -7.2 -14.7 -3.8 20.3 49 71 A S G X> S+ 0 0 0 -3,-2.1 3,-1.4 1,-0.3 4,-0.6 0.782 70.5 69.1 -65.2 -21.5 -13.9 -6.6 17.8 50 72 A F H X> S+ 0 0 0 -3,-1.1 4,-2.1 1,-0.2 3,-0.5 0.709 79.9 79.9 -62.9 -21.5 -10.7 -4.8 16.7 51 73 A K H <> S+ 0 0 3 -3,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.774 85.2 58.2 -62.9 -26.6 -9.1 -5.6 20.0 52 74 A G H <> S+ 0 0 0 -3,-1.4 4,-1.6 -4,-0.3 -1,-0.3 0.902 109.1 44.9 -66.1 -39.3 -8.3 -9.1 18.9 53 75 A F H X S+ 0 0 88 -4,-2.1 3,-1.0 1,-0.2 4,-0.9 0.890 109.5 52.1 -65.9 -37.7 5.8 -6.0 17.6 62 84 A S H 3< S+ 0 0 11 -4,-2.4 6,-0.3 1,-0.3 -1,-0.2 0.790 96.0 67.4 -69.2 -23.7 7.2 -8.3 20.3 63 85 A Q H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.787 112.9 33.5 -69.8 -22.9 8.5 -10.7 17.6 64 86 A Q H << S+ 0 0 179 -3,-1.0 2,-0.5 -4,-0.6 -1,-0.2 0.538 115.7 58.9-101.8 -11.8 11.0 -7.8 16.7 65 87 A Q S >< S- 0 0 86 -4,-0.9 3,-2.3 -3,-0.1 4,-0.3 -0.852 86.2-133.3-129.3 95.3 11.5 -6.4 20.2 66 88 A E T 3 S+ 0 0 185 -2,-0.5 -3,-0.1 1,-0.3 -4,-0.0 -0.258 85.6 6.8 -56.9 125.2 12.9 -8.9 22.6 67 89 A G T >> S+ 0 0 35 -5,-0.2 3,-1.4 4,-0.0 4,-0.5 0.386 82.5 132.3 82.1 5.5 11.0 -9.0 26.0 68 90 A L G X4 + 0 0 4 -3,-2.3 3,-1.5 -6,-0.3 29,-0.4 0.870 67.2 59.8 -53.3 -39.6 8.3 -6.5 25.0 69 91 A L G 34 S+ 0 0 34 1,-0.3 29,-2.5 -4,-0.3 30,-0.4 0.814 104.9 50.0 -62.0 -27.4 5.5 -8.7 26.4 70 92 A N G <4 S+ 0 0 125 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.483 81.4 118.6 -89.2 -3.9 7.1 -8.6 29.9 71 93 A Q << - 0 0 94 -3,-1.5 26,-1.9 -4,-0.5 2,-0.4 -0.418 62.1-132.6 -66.4 133.8 7.5 -4.8 30.0 72 94 A R E -G 96 0C 114 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.756 17.1-161.6 -93.1 127.9 5.5 -3.3 32.8 73 95 A I E -G 95 0C 10 22,-3.2 22,-2.5 -2,-0.4 2,-0.3 -0.950 4.5-165.3-109.1 130.2 3.2 -0.3 32.1 74 96 A R - 0 0 132 -2,-0.5 17,-0.1 20,-0.2 18,-0.1 -0.862 10.8-176.7-113.6 153.0 2.0 1.9 35.0 75 97 A Y > + 0 0 10 16,-0.4 3,-1.9 -2,-0.3 17,-0.1 -0.174 11.3 175.8-150.7 44.5 -0.8 4.5 34.7 76 98 A D T 3 S+ 0 0 109 1,-0.3 3,-0.1 15,-0.1 -2,-0.1 -0.280 74.8 7.7 -53.6 134.5 -1.1 6.3 38.0 77 99 A N T 3 S+ 0 0 167 1,-0.2 2,-0.3 3,-0.0 -1,-0.3 0.504 92.4 144.3 65.1 12.1 -3.7 9.1 38.0 78 100 A X < - 0 0 57 -3,-1.9 2,-0.7 1,-0.1 -1,-0.2 -0.608 55.9-121.3 -72.4 138.5 -4.9 8.1 34.5 79 101 A V - 0 0 131 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.692 32.2-140.8 -81.1 117.3 -8.6 8.5 33.9 80 102 A M - 0 0 38 -2,-0.7 4,-0.1 1,-0.1 3,-0.1 -0.627 13.1-119.6 -86.0 134.9 -9.8 5.0 33.0 81 103 A E - 0 0 33 -2,-0.3 30,-0.3 1,-0.1 29,-0.2 -0.259 40.3 -83.9 -65.8 154.2 -12.4 4.6 30.3 82 104 A P S S+ 0 0 92 0, 0.0 28,-0.2 0, 0.0 -1,-0.1 -0.247 114.3 34.1 -54.6 146.1 -15.7 3.0 31.0 83 105 A H S S+ 0 0 105 1,-0.1 27,-2.9 26,-0.1 28,-0.2 0.979 71.9 137.2 61.8 66.9 -15.6 -0.8 30.8 84 106 A S > + 0 0 1 25,-0.3 4,-2.3 26,-0.2 5,-0.2 -0.498 14.3 156.9-127.9 58.5 -12.0 -1.3 32.2 85 107 A P T 4 S+ 0 0 37 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.776 74.8 32.5 -65.9 -30.5 -12.7 -4.2 34.4 86 108 A V T >> S+ 0 0 29 2,-0.1 3,-1.5 -3,-0.1 4,-0.6 0.882 119.1 48.0 -87.2 -53.9 -9.1 -5.5 34.5 87 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 7,-0.1 0.845 102.5 63.1 -63.5 -31.6 -7.1 -2.4 34.3 88 110 A E G 3< S+ 0 0 115 -4,-2.3 3,-0.4 1,-0.2 -1,-0.3 0.721 105.1 48.6 -65.5 -19.5 -9.0 -0.5 37.0 89 111 A K G <4 S+ 0 0 155 -3,-1.5 -1,-0.2 -5,-0.2 3,-0.2 0.588 106.0 56.7 -90.0 -14.9 -7.9 -3.1 39.5 90 112 A Q -G 72 0C 18 -2,-0.3 4,-2.7 -24,-0.3 -24,-0.2 -0.413 32.3-109.9 -76.8 162.8 2.6 -6.1 31.6 97 119 A V H > S+ 0 0 0 -26,-1.9 4,-2.3 -29,-0.4 5,-0.2 0.906 122.0 51.7 -57.2 -41.8 2.1 -5.7 27.9 98 120 A A H > S+ 0 0 23 -29,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.933 109.8 48.5 -62.0 -43.3 1.0 -9.3 27.8 99 121 A E H > S+ 0 0 90 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.887 111.5 49.7 -65.1 -38.9 -1.5 -8.8 30.5 100 122 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.907 111.8 49.1 -63.3 -41.9 -2.9 -5.7 28.8 101 123 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.930 112.6 46.5 -64.1 -46.7 -3.2 -7.6 25.5 102 124 A A H X S+ 0 0 15 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.909 113.4 50.3 -62.4 -40.5 -5.0 -10.5 27.2 103 125 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 -5,-0.2 6,-1.7 0.900 109.5 48.6 -66.2 -44.2 -7.3 -8.1 29.0 104 126 A T H X S+ 0 0 0 -4,-2.4 4,-0.6 4,-0.2 -1,-0.2 0.928 120.2 38.3 -65.2 -39.3 -8.3 -6.1 26.0 105 127 A L H < S+ 0 0 0 -4,-2.1 109,-0.3 -5,-0.2 -2,-0.2 0.966 124.2 36.6 -71.9 -53.0 -9.0 -9.3 24.0 106 128 A Q H < S+ 0 0 35 -4,-3.3 88,-2.3 -5,-0.2 89,-0.3 0.687 133.8 22.3 -83.2 -21.9 -10.6 -11.4 26.8 107 129 A Y H < S- 0 0 102 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.291 97.8-121.5-120.5 -2.2 -12.5 -8.8 28.7 108 130 A S < - 0 0 13 -4,-0.6 -4,-0.2 -5,-0.3 2,-0.2 0.766 43.7-172.1 63.6 29.1 -12.9 -6.1 26.0 109 131 A D > - 0 0 0 -6,-1.7 4,-1.8 1,-0.2 -25,-0.3 -0.281 17.3-165.0 -67.0 119.9 -11.0 -3.8 28.4 110 132 A N H > S+ 0 0 8 -27,-2.9 4,-2.6 2,-0.2 5,-0.2 0.863 87.1 56.0 -75.7 -37.8 -11.0 -0.2 27.1 111 133 A G H > S+ 0 0 0 -30,-0.3 4,-2.2 -28,-0.2 -1,-0.2 0.922 110.6 47.2 -56.8 -44.8 -8.3 1.1 29.4 112 134 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.912 110.7 52.1 -63.3 -43.1 -6.1 -1.6 28.1 113 135 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.957 113.2 42.7 -59.3 -51.5 -7.0 -0.9 24.4 114 136 A N H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.845 112.2 54.5 -69.4 -32.2 -6.2 2.8 24.7 115 137 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.921 112.7 43.1 -61.8 -46.0 -3.0 2.1 26.7 116 138 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-2.1 0.903 114.7 49.4 -68.6 -41.5 -1.7 -0.2 24.0 117 139 A L H <>S+ 0 0 0 -4,-2.6 6,-2.8 -5,-0.3 5,-1.3 0.924 118.2 40.7 -60.7 -42.9 -2.8 2.1 21.2 118 140 A E H <5S+ 0 0 115 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.925 126.5 29.6 -69.2 -48.4 -1.1 5.1 22.9 119 140AA K H <5S+ 0 0 104 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.713 134.7 11.5 -95.2 -25.3 2.1 3.4 24.1 120 141 A L T <5S+ 0 0 18 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.691 122.2 41.1-122.6 -41.6 2.9 0.6 21.6 121 142 A I T < - 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