==== 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 11-SEP-00 1FSY . COMPND 2 MOLECULE: CEPHALOSPORINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.CASELLI,R.A.POWERS,L.C.BLASCZCAK,C.Y.WU,F.PRATI,B.K.SHOICH . 716 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 512 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 10 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 . 33 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.1 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 5 2 0 1 3 0 4 2 2 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 4 8 6 2 0 3 3 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 . 4 4 0 0 0 0 0 2 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 4 A A 0 0 86 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.7 23.3 -20.6 34.9 2 5 A P >> - 0 0 57 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.320 360.0-121.0 -57.4 143.0 24.2 -19.9 38.6 3 6 A Q H 3> S+ 0 0 147 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.836 110.1 60.9 -59.7 -31.8 21.1 -18.6 40.3 4 7 A Q H 3> S+ 0 0 108 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 109.4 40.9 -61.0 -42.9 22.8 -15.3 41.3 5 8 A I H <> S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.946 115.7 50.4 -71.8 -46.7 23.4 -14.4 37.7 6 9 A N H X S+ 0 0 58 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.928 114.3 45.2 -56.8 -45.3 20.0 -15.6 36.6 7 10 A D H X S+ 0 0 45 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.938 114.2 46.0 -66.9 -46.0 18.4 -13.5 39.4 8 11 A I H X S+ 0 0 20 -4,-2.4 4,-1.1 -5,-0.2 5,-0.2 0.925 116.1 46.5 -63.7 -44.6 20.4 -10.4 38.8 9 12 A V H >X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.2 3,-0.5 0.963 115.8 43.9 -63.3 -50.3 19.9 -10.5 35.1 10 13 A H H 3X S+ 0 0 64 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.912 110.7 53.9 -64.5 -37.9 16.1 -11.2 35.2 11 14 A R H 3< S+ 0 0 179 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.766 118.3 37.1 -65.8 -24.6 15.4 -8.6 38.0 12 15 A T H S+ 0 0 54 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.852 112.8 55.3 -64.6 -33.0 11.6 -4.1 34.0 16 19 A L H X S+ 0 0 16 -4,-1.1 4,-2.8 2,-0.2 6,-0.2 0.948 107.9 47.7 -64.0 -49.4 13.8 -2.6 31.3 17 20 A I H X>S+ 0 0 31 -4,-2.9 5,-1.4 1,-0.2 4,-0.7 0.899 116.0 45.4 -58.1 -41.1 11.9 -4.4 28.6 18 21 A E H ><5S+ 0 0 135 -4,-2.0 3,-0.6 -5,-0.3 -2,-0.2 0.944 114.9 45.2 -69.9 -47.3 8.6 -3.3 30.1 19 22 A Q H 3<5S+ 0 0 142 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.874 121.9 37.6 -67.1 -36.0 9.5 0.3 30.7 20 23 A Q H 3<5S- 0 0 48 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.452 101.7-128.8 -95.9 -0.4 11.1 0.8 27.3 21 24 A K T <<5 + 0 0 168 -4,-0.7 -3,-0.2 -3,-0.6 -4,-0.1 0.876 39.2 179.9 53.2 44.2 8.6 -1.4 25.3 22 25 A I < - 0 0 9 -5,-1.4 -1,-0.2 -6,-0.2 3,-0.1 -0.621 22.1-152.9 -76.5 127.5 11.4 -3.4 23.7 23 26 A P S S+ 0 0 27 0, 0.0 19,-2.7 0, 0.0 2,-0.3 0.899 73.7 0.6 -68.7 -40.6 10.1 -6.1 21.3 24 27 A G E +A 41 0A 1 17,-0.3 314,-1.7 19,-0.1 2,-0.3 -0.996 64.4 178.9-151.4 148.9 13.0 -8.4 21.6 25 28 A M E -AB 40 337A 0 15,-2.2 15,-2.4 -2,-0.3 2,-0.4 -0.998 11.3-166.8-154.1 145.5 16.3 -8.7 23.5 26 29 A A E -AB 39 336A 0 310,-2.4 310,-2.8 -2,-0.3 2,-0.4 -0.992 13.3-174.5-130.4 143.2 19.3 -11.0 24.0 27 30 A V E -AB 38 335A 0 11,-2.7 11,-2.5 -2,-0.4 2,-0.4 -0.992 8.1-166.2-138.7 142.6 21.9 -10.5 26.8 28 31 A A E -AB 37 334A 0 306,-2.2 306,-2.3 -2,-0.4 2,-0.5 -0.994 4.5-162.0-126.7 137.8 25.1 -12.4 27.5 29 32 A V E -AB 36 333A 0 7,-2.5 7,-2.1 -2,-0.4 2,-0.6 -0.982 6.9-154.2-117.1 130.1 27.0 -12.1 30.8 30 33 A I E +AB 35 332A 0 302,-2.7 302,-2.3 -2,-0.5 2,-0.5 -0.928 21.1 177.9-101.8 119.4 30.6 -13.2 30.8 31 34 A Y E > -AB 34 331A 50 3,-2.8 3,-2.4 -2,-0.6 300,-0.2 -0.985 68.9 -13.4-129.8 125.9 31.4 -14.2 34.3 32 35 A Q T 3 S- 0 0 140 298,-0.5 -1,-0.2 297,-0.5 299,-0.2 0.895 130.8 -57.7 51.3 37.7 34.8 -15.5 35.4 33 36 A G T 3 S+ 0 0 22 297,-1.9 -1,-0.3 1,-0.2 298,-0.1 0.253 115.5 109.8 81.2 -14.6 35.3 -15.8 31.6 34 37 A K E < -A 31 0A 137 -3,-2.4 -3,-2.8 296,-0.1 2,-0.3 -0.726 63.4-125.9 -97.2 147.2 32.3 -18.1 30.8 35 38 A P E -A 30 0A 42 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.712 18.8-169.7 -97.2 146.7 29.2 -16.9 28.9 36 39 A Y E -A 29 0A 51 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.3 -0.998 15.2-148.6-130.9 130.2 25.6 -17.1 30.1 37 40 A Y E +A 28 0A 62 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.776 16.0 179.0-109.5 148.3 22.8 -16.3 27.7 38 41 A F E -A 27 0A 16 -11,-2.5 -11,-2.7 -2,-0.3 2,-0.3 -0.997 4.1-176.1-143.0 139.9 19.4 -14.8 28.1 39 42 A T E +A 26 0A 55 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.992 3.4 177.4-140.3 152.4 16.6 -14.0 25.5 40 43 A W E -A 25 0A 41 -15,-2.4 -15,-2.2 -2,-0.3 11,-0.1 -0.989 43.7 -15.1-147.1 149.9 13.2 -12.4 25.6 41 44 A G E S-A 24 0A 35 -2,-0.3 10,-2.5 -17,-0.2 2,-0.4 -0.072 86.7 -14.9 69.6-152.6 10.5 -11.5 23.1 42 45 A Y E -I 50 0B 107 -19,-2.7 3,-0.2 8,-0.3 296,-0.2 -0.824 18.7-176.7-113.1 136.1 10.4 -11.2 19.3 43 46 A A E S+ 0 0 7 6,-2.6 155,-2.8 -2,-0.4 2,-0.4 0.752 100.5 18.9 -85.0 -32.8 12.9 -10.9 16.6 44 47 A D E > -I 49 0B 20 5,-1.8 5,-2.0 153,-0.2 -1,-0.3 -0.910 67.7-169.9-141.9 105.5 10.0 -10.5 14.1 45 48 A I T > 5S+ 0 0 84 -2,-0.4 3,-1.3 -3,-0.2 -1,-0.1 0.934 86.0 52.3 -62.7 -48.2 6.6 -9.4 15.6 46 49 A A T 3 5S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.883 118.3 35.1 -57.4 -46.2 4.6 -10.0 12.5 47 50 A K T 3 5S- 0 0 149 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.278 107.1-124.6 -94.1 11.7 5.8 -13.5 11.9 48 51 A K T < 5 + 0 0 155 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.793 50.3 162.8 50.4 38.2 6.0 -14.3 15.7 49 52 A Q E < -I 44 0B 100 -5,-2.0 -6,-2.6 1,-0.0 -5,-1.8 -0.754 30.5-136.3 -88.8 126.6 9.7 -15.3 15.5 50 53 A P E -I 42 0B 72 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.358 19.9-101.9 -79.3 161.4 11.3 -15.3 18.9 51 54 A V + 0 0 6 -10,-2.5 2,-0.2 -26,-0.1 -26,-0.1 -0.635 50.9 172.9 -77.1 134.2 14.7 -13.9 19.8 52 55 A T > - 0 0 44 -2,-0.3 3,-1.3 143,-0.1 172,-0.3 -0.767 51.0 -91.6-131.0-178.7 17.1 -16.8 20.1 53 56 A Q T 3 S+ 0 0 67 -2,-0.2 172,-1.0 1,-0.2 171,-0.2 0.623 127.0 52.4 -71.5 -9.8 20.9 -17.2 20.6 54 57 A Q T 3 S+ 0 0 94 169,-0.1 -1,-0.2 170,-0.1 2,-0.2 0.394 80.4 120.6-103.3 0.1 21.2 -17.3 16.8 55 58 A T < - 0 0 4 -3,-1.3 169,-0.5 141,-0.1 2,-0.4 -0.460 58.8-135.6 -68.2 132.8 19.2 -14.1 16.1 56 59 A L B -j 196 0C 1 139,-2.9 141,-2.2 136,-0.2 2,-0.3 -0.785 22.7-173.0 -90.0 133.4 21.2 -11.4 14.3 57 60 A F E -K 222 0D 1 165,-2.6 165,-2.0 -2,-0.4 2,-0.5 -0.912 31.5-109.9-121.8 151.5 20.9 -7.8 15.6 58 61 A E E -K 221 0D 4 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.684 25.7-160.2 -79.5 128.3 22.3 -4.6 14.0 59 62 A L > - 0 0 0 161,-2.7 3,-1.9 -2,-0.5 262,-0.2 0.630 16.1-171.0 -86.0 -14.9 25.1 -3.5 16.3 60 63 A G G > S- 0 0 0 160,-0.5 3,-2.3 158,-0.5 160,-0.4 -0.313 70.1 -1.1 56.5-139.7 25.1 0.0 15.1 61 64 A S G > S+ 0 0 13 254,-0.3 3,-1.7 1,-0.3 4,-0.3 0.544 115.1 81.7 -63.9 -8.1 28.1 1.9 16.5 62 65 A V G X> S+ 0 0 0 -3,-1.9 3,-1.7 1,-0.3 4,-0.7 0.761 80.3 74.5 -64.1 -17.6 29.4 -1.1 18.4 63 66 A S H X> S+ 0 0 0 -3,-2.3 4,-2.1 1,-0.3 3,-0.6 0.811 79.0 71.6 -60.9 -27.5 30.7 -1.8 14.9 64 67 A K H <> S+ 0 0 0 -3,-1.7 4,-2.3 153,-0.4 -1,-0.3 0.792 88.9 60.4 -62.4 -25.1 33.2 0.9 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.7 4,-2.1 -4,-0.3 -1,-0.2 0.870 105.9 46.3 -68.3 -35.6 35.0 -1.5 18.1 66 69 A F H S+ 0 0 2 -4,-1.9 5,-2.1 2,-0.2 6,-0.9 0.872 110.1 49.1 -65.1 -35.2 46.9 -3.0 10.6 75 78 A I H ><5S+ 0 0 10 -4,-2.0 3,-1.9 2,-0.2 -2,-0.2 0.964 111.1 49.3 -66.0 -51.7 49.2 -0.9 12.8 76 79 A A H 3<5S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 107.6 55.2 -55.5 -36.9 50.6 -4.1 14.4 77 80 A R T 3<5S- 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.656 114.9-119.6 -70.8 -13.4 51.2 -5.5 10.9 78 81 A G T < 5S+ 0 0 62 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.1 0.591 81.5 120.3 83.5 12.8 53.2 -2.4 10.1 79 82 A E S - 0 0 64 -2,-0.3 3,-1.7 4,-0.1 22,-0.4 -0.994 19.7-134.0-133.7 140.9 50.8 4.2 11.6 82 85 A L T 3 S+ 0 0 9 -2,-0.4 22,-2.1 1,-0.3 23,-0.3 0.717 109.1 59.7 -65.6 -19.0 48.5 6.3 13.6 83 86 A S T 3 S+ 0 0 27 576,-0.2 -1,-0.3 20,-0.2 575,-0.1 0.533 82.2 108.9 -85.8 -6.1 51.0 9.1 13.3 84 87 A D S < S- 0 0 9 -3,-1.7 19,-2.2 1,-0.1 20,-0.3 -0.448 77.9-110.3 -70.3 142.4 50.8 9.0 9.5 85 88 A P B >> -M 102 0E 54 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.406 22.9-119.8 -70.4 148.3 49.0 12.0 7.8 86 89 A T H >> S+ 0 0 0 15,-2.9 3,-1.4 12,-0.3 4,-0.8 0.888 112.3 64.2 -55.7 -36.0 45.6 11.2 6.2 87 90 A T H 34 S+ 0 0 51 14,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.701 83.6 73.7 -63.2 -20.1 47.1 12.2 2.9 88 91 A K H <4 S+ 0 0 114 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.873 110.0 30.5 -61.6 -32.7 49.6 9.4 2.9 89 92 A Y H << S+ 0 0 26 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.480 129.2 37.8-104.0 -6.4 46.7 7.0 2.1 90 93 A W >< + 0 0 22 -4,-0.8 3,-2.4 3,-0.1 -1,-0.2 -0.654 64.1 174.3-141.5 73.0 44.5 9.3 0.1 91 94 A P T 3 S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.760 75.1 71.2 -54.5 -24.1 46.9 11.4 -1.9 92 95 A E T 3 S+ 0 0 102 1,-0.2 2,-2.1 -3,-0.1 3,-0.2 0.665 73.1 90.7 -68.8 -13.8 43.8 12.9 -3.7 93 96 A L < + 0 0 2 -3,-2.4 -1,-0.2 1,-0.2 -3,-0.1 -0.513 48.7 149.9 -80.9 76.7 43.0 14.8 -0.4 94 97 A T + 0 0 104 -2,-2.1 -1,-0.2 3,-0.0 5,-0.1 0.565 20.3 121.7 -90.0 -8.1 45.0 17.9 -1.4 95 98 A A > - 0 0 23 -3,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.281 68.2-124.3 -59.1 140.2 43.0 20.6 0.4 96 99 A K G > S+ 0 0 190 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.727 102.5 70.8 -60.5 -26.7 45.2 22.5 2.9 97 100 A Q G 3 S+ 0 0 40 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.674 89.9 65.9 -66.5 -15.7 43.0 21.9 6.0 98 101 A W G X S+ 0 0 1 -3,-1.9 3,-2.3 2,-0.1 -12,-0.3 0.652 71.9 107.9 -80.6 -13.0 44.1 18.3 5.9 99 102 A N T < S+ 0 0 144 -3,-1.7 3,-0.1 1,-0.3 -5,-0.0 -0.456 88.8 18.5 -63.9 127.0 47.8 19.2 6.7 100 103 A G T 3 S+ 0 0 38 1,-0.2 2,-0.7 -2,-0.2 -1,-0.3 0.375 92.7 120.1 94.0 -7.4 48.3 18.0 10.2 101 104 A I < - 0 0 1 -3,-2.3 -15,-2.9 4,-0.0 -14,-0.3 -0.851 43.9-173.0 -97.3 116.1 45.3 15.6 10.4 102 105 A T B > -M 85 0E 22 -2,-0.7 4,-1.8 -17,-0.3 3,-0.3 -0.483 41.7-100.7-103.7 171.0 46.6 12.1 11.1 103 106 A L H > S+ 0 0 0 -19,-2.2 4,-2.9 -22,-0.4 5,-0.2 0.829 122.6 61.1 -60.2 -30.1 45.0 8.7 11.2 104 107 A L H > S+ 0 0 8 -22,-2.1 4,-1.8 -20,-0.3 6,-0.2 0.940 102.8 49.9 -61.3 -44.1 45.0 9.0 15.0 105 108 A H H 4>S+ 0 0 23 -3,-0.3 5,-2.2 -23,-0.3 6,-0.6 0.919 112.9 46.9 -60.0 -43.8 42.7 12.1 14.7 106 109 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.945 111.7 49.7 -64.8 -46.6 40.3 10.3 12.4 107 110 A A H 3<5S+ 0 0 0 -4,-2.9 160,-0.6 1,-0.2 -1,-0.2 0.790 118.2 39.1 -60.1 -30.3 40.2 7.2 14.6 108 111 A T T 3<5S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.178 109.4-112.0-110.1 13.1 39.5 9.2 17.7 109 112 A Y T < 5S+ 0 0 3 -3,-1.0 37,-2.3 -4,-0.4 3,-0.2 0.764 84.8 116.2 64.0 29.7 37.0 11.9 16.4 110 113 A T < + 0 0 0 -5,-2.2 32,-3.4 -6,-0.2 33,-0.4 0.093 27.4 111.3-116.7 24.2 39.6 14.7 16.9 111 114 A A S S- 0 0 1 -6,-0.6 -1,-0.1 30,-0.2 -5,-0.1 0.700 100.3 -83.8 -70.6 -21.1 40.3 15.9 13.4 112 115 A G S S- 0 0 0 32,-0.4 26,-2.5 -3,-0.2 27,-1.6 0.639 90.8 -31.0 125.5 25.6 38.6 19.2 14.1 113 116 A G + 0 0 15 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.782 66.9 173.6 108.2 28.6 34.8 18.8 13.6 114 117 A L - 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