==== 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 1FSW . COMPND 2 MOLECULE: CEPHALOSPORINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.CASELLI,R.A.POWERS,L.C.BLASZCZAK,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) . 28208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 71.8 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 . 134 18.7 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 . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 13.1 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 . 18 2.5 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 4 3 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 2 4 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 82 0, 0.0 35,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 157.1 23.7 -20.4 35.0 2 5 A P >> - 0 0 60 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.256 360.0-116.4 -54.6 144.5 24.4 -19.9 38.7 3 6 A Q H 3> S+ 0 0 146 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.767 111.9 62.7 -54.9 -27.9 21.2 -18.6 40.4 4 7 A Q H 3> S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 107.4 39.6 -65.4 -49.5 23.1 -15.4 41.3 5 8 A I H <> S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.956 115.6 54.0 -63.5 -48.5 23.7 -14.3 37.7 6 9 A N H X S+ 0 0 56 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.910 111.0 46.2 -52.0 -45.8 20.3 -15.5 36.7 7 10 A D H X S+ 0 0 42 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.941 113.5 44.5 -68.2 -47.9 18.7 -13.4 39.4 8 11 A I H X S+ 0 0 31 -4,-2.2 4,-1.3 2,-0.2 5,-0.2 0.914 116.2 48.5 -62.6 -42.2 20.5 -10.1 38.9 9 12 A V H >X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.2 3,-0.6 0.977 116.2 41.7 -63.5 -53.2 20.1 -10.4 35.1 10 13 A H H 3X S+ 0 0 65 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.884 113.5 52.3 -62.8 -36.0 16.4 -11.1 35.3 11 14 A R H 3< S+ 0 0 179 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.780 118.6 37.3 -70.5 -23.0 15.7 -8.6 38.0 12 15 A T H S+ 0 0 57 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.871 113.0 57.8 -65.6 -32.9 11.7 -4.1 34.1 16 19 A L H X S+ 0 0 16 -4,-1.1 4,-2.8 1,-0.2 5,-0.2 0.950 107.3 46.5 -59.9 -48.4 14.0 -2.6 31.4 17 20 A I H X>S+ 0 0 33 -4,-2.8 5,-1.5 2,-0.2 4,-0.8 0.884 115.0 47.3 -62.0 -39.5 12.1 -4.3 28.7 18 21 A E H <5S+ 0 0 138 -4,-1.8 3,-0.4 -5,-0.2 -2,-0.2 0.945 115.6 43.4 -68.8 -49.7 8.8 -3.3 30.2 19 22 A Q H <5S+ 0 0 144 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 121.9 38.3 -65.8 -38.3 9.7 0.3 30.7 20 23 A Q H <5S- 0 0 49 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.514 101.7-130.5 -91.1 -5.0 11.4 0.8 27.3 21 24 A K T <5 - 0 0 165 -4,-0.8 -3,-0.2 -3,-0.4 -4,-0.1 0.903 37.3-177.9 55.0 46.4 8.9 -1.4 25.4 22 25 A I < - 0 0 8 -5,-1.5 -1,-0.2 -6,-0.2 3,-0.1 -0.632 21.7-151.7 -77.3 127.6 11.7 -3.4 23.8 23 26 A P S S- 0 0 28 0, 0.0 19,-2.2 0, 0.0 2,-0.3 0.918 74.5 -2.3 -65.4 -45.5 10.4 -6.0 21.3 24 27 A G E -A 41 0A 2 17,-0.3 314,-1.6 19,-0.1 2,-0.3 -0.993 64.9-178.8-148.9 152.1 13.2 -8.5 21.7 25 28 A M E -AB 40 337A 0 15,-2.5 15,-2.8 -2,-0.3 2,-0.4 -0.992 11.2-164.5-155.5 144.7 16.5 -8.6 23.6 26 29 A A E -AB 39 336A 0 310,-2.5 310,-2.6 -2,-0.3 2,-0.4 -0.984 13.3-173.3-128.0 142.4 19.5 -10.9 24.1 27 30 A V E -AB 38 335A 0 11,-2.7 11,-2.5 -2,-0.4 2,-0.4 -0.991 8.1-169.1-137.2 143.0 22.1 -10.5 26.9 28 31 A A E -AB 37 334A 0 306,-2.1 306,-2.2 -2,-0.4 2,-0.5 -0.997 4.1-164.9-130.6 134.0 25.4 -12.3 27.6 29 32 A V E -AB 36 333A 0 7,-2.3 7,-2.3 -2,-0.4 2,-0.7 -0.979 9.4-152.2-117.4 131.7 27.2 -12.0 30.9 30 33 A I E -AB 35 332A 0 302,-2.5 302,-2.0 -2,-0.5 2,-0.5 -0.951 20.0-178.4-104.2 113.9 30.9 -13.1 30.9 31 34 A Y E > -AB 34 331A 51 3,-2.7 3,-2.2 -2,-0.7 300,-0.2 -0.976 68.4 -17.2-121.1 124.8 31.6 -14.2 34.5 32 35 A Q T 3 S- 0 0 137 298,-0.6 -1,-0.2 -2,-0.5 299,-0.2 0.867 131.1 -52.8 48.8 38.1 35.1 -15.5 35.4 33 36 A G T 3 S+ 0 0 19 297,-1.5 -1,-0.3 1,-0.2 298,-0.1 0.511 117.0 106.4 81.8 2.7 35.7 -15.9 31.7 34 37 A K E < -A 31 0A 135 -3,-2.2 -3,-2.7 2,-0.0 2,-0.3 -0.909 63.5-126.8-116.1 144.7 32.6 -18.1 30.9 35 38 A P E -A 30 0A 41 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.707 17.9-170.3 -96.0 146.2 29.5 -16.8 29.0 36 39 A Y E -A 29 0A 51 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.3 -0.998 15.2-148.8-131.0 130.4 25.9 -17.1 30.1 37 40 A Y E +A 28 0A 60 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.753 16.2 178.7-109.8 149.3 23.1 -16.2 27.8 38 41 A F E -A 27 0A 17 -11,-2.5 -11,-2.7 -2,-0.3 2,-0.3 -0.997 5.6-174.0-142.7 143.4 19.6 -14.8 28.2 39 42 A T E -A 26 0A 56 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.993 3.2-178.3-143.2 152.5 16.9 -14.0 25.6 40 43 A W E -A 25 0A 43 -15,-2.8 -15,-2.5 -2,-0.3 11,-0.0 -0.993 42.7 -19.4-145.7 148.2 13.5 -12.3 25.6 41 44 A G E S-A 24 0A 36 -2,-0.3 10,-2.4 -17,-0.2 2,-0.4 -0.105 86.1 -15.7 67.7-151.4 10.8 -11.5 23.1 42 45 A Y E -I 50 0B 110 -19,-2.2 3,-0.2 8,-0.3 296,-0.2 -0.832 18.7-174.7-113.7 136.5 10.7 -11.3 19.4 43 46 A A E S+ 0 0 7 6,-2.6 155,-3.1 -2,-0.4 2,-0.3 0.740 100.2 21.2 -85.7 -30.0 13.2 -10.9 16.6 44 47 A D E > -I 49 0B 20 5,-1.8 5,-1.7 153,-0.2 4,-0.4 -0.904 67.4-168.7-142.8 107.3 10.2 -10.5 14.2 45 48 A I T > 5S+ 0 0 86 -2,-0.3 3,-0.9 -3,-0.2 -1,-0.1 0.938 87.1 48.5 -63.2 -49.0 6.9 -9.4 15.6 46 49 A A T 3 5S+ 0 0 88 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.862 119.0 37.6 -59.4 -44.5 4.8 -10.2 12.5 47 50 A K T 3 5S- 0 0 145 2,-0.1 -1,-0.3 0, 0.0 -2,-0.2 0.353 106.7-126.0 -91.4 4.7 6.1 -13.7 11.9 48 51 A K T < 5 + 0 0 159 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.812 49.2 163.3 54.9 37.1 6.3 -14.4 15.7 49 52 A Q E < -I 44 0B 98 -5,-1.7 -6,-2.6 1,-0.0 -5,-1.8 -0.740 29.8-137.5 -88.2 124.8 10.0 -15.3 15.5 50 53 A P E -I 42 0B 72 0, 0.0 2,-0.4 0, 0.0 -8,-0.3 -0.394 20.5-102.2 -79.5 162.6 11.6 -15.3 19.0 51 54 A V + 0 0 6 -10,-2.4 2,-0.2 -26,-0.1 -26,-0.1 -0.659 50.6 173.4 -81.3 132.4 15.0 -14.0 19.8 52 55 A T > - 0 0 42 -2,-0.4 3,-1.3 143,-0.1 172,-0.3 -0.775 51.3 -91.7-130.2 178.7 17.4 -16.9 20.2 53 56 A Q T 3 S+ 0 0 68 -2,-0.2 172,-1.0 1,-0.2 171,-0.2 0.642 127.3 52.8 -69.5 -10.7 21.2 -17.2 20.7 54 57 A Q T 3 S+ 0 0 91 169,-0.1 -1,-0.2 170,-0.1 2,-0.2 0.439 79.6 118.3-101.1 -3.1 21.4 -17.3 16.9 55 58 A T < - 0 0 3 -3,-1.3 169,-0.5 141,-0.1 2,-0.4 -0.457 60.0-135.3 -67.8 134.8 19.4 -14.1 16.2 56 59 A L B -j 196 0C 1 139,-3.1 141,-2.1 136,-0.2 2,-0.3 -0.759 22.0-171.0 -92.3 136.0 21.5 -11.4 14.3 57 60 A F E -K 222 0D 1 165,-2.7 165,-2.1 -2,-0.4 2,-0.5 -0.928 31.0-109.1-122.7 150.0 21.1 -7.9 15.6 58 61 A E E -K 221 0D 5 -2,-0.3 163,-0.2 163,-0.2 279,-0.2 -0.656 25.8-159.5 -75.0 126.8 22.5 -4.7 14.0 59 62 A L > - 0 0 0 161,-3.1 3,-1.7 -2,-0.5 262,-0.2 0.733 16.3-172.2 -82.1 -19.0 25.4 -3.5 16.3 60 63 A G G > S- 0 0 0 160,-0.5 3,-2.3 158,-0.5 160,-0.5 -0.404 71.3 -0.9 61.8-138.3 25.3 0.1 15.0 61 64 A S G > S+ 0 0 13 254,-0.3 3,-1.7 1,-0.3 4,-0.3 0.543 116.3 80.4 -62.7 -9.8 28.3 1.9 16.5 62 65 A V G X> S+ 0 0 0 -3,-1.7 3,-1.8 1,-0.3 4,-0.7 0.777 80.9 74.1 -65.8 -18.4 29.6 -1.1 18.4 63 66 A S H X> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.3 3,-0.6 0.815 80.0 70.6 -59.7 -29.1 30.9 -1.9 14.9 64 67 A K H <> S+ 0 0 0 -3,-1.7 4,-2.0 153,-0.4 -1,-0.3 0.726 88.9 61.3 -61.8 -22.9 33.5 0.9 15.6 65 68 A T H <> S+ 0 0 0 -3,-1.8 4,-2.2 -4,-0.3 -1,-0.2 0.863 105.4 47.0 -70.9 -35.4 35.2 -1.4 18.1 66 69 A F H S+ 0 0 2 -4,-1.6 5,-2.4 -3,-0.3 6,-0.8 0.862 109.8 50.2 -69.5 -35.8 47.2 -3.0 10.6 75 78 A I H ><5S+ 0 0 11 -4,-2.0 3,-1.9 2,-0.2 -2,-0.2 0.945 109.7 49.5 -65.4 -49.7 49.4 -0.9 12.8 76 79 A A H 3<5S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 107.9 55.3 -58.3 -38.6 50.9 -4.1 14.4 77 80 A R T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.567 114.7-120.0 -70.0 -9.7 51.5 -5.4 10.9 78 81 A G T < 5S+ 0 0 59 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.670 80.6 121.1 78.0 15.3 53.5 -2.3 10.1 79 82 A E S - 0 0 49 -2,-0.3 3,-1.6 4,-0.1 22,-0.3 -0.992 19.9-132.5-132.8 142.1 51.0 4.2 11.6 82 85 A L T 3 S+ 0 0 9 -2,-0.4 22,-2.2 1,-0.3 23,-0.3 0.761 108.5 59.6 -63.7 -22.3 48.6 6.4 13.6 83 86 A S T 3 S+ 0 0 28 576,-0.3 -1,-0.3 20,-0.2 575,-0.1 0.588 81.9 107.7 -82.9 -9.1 51.1 9.2 13.2 84 87 A D S < S- 0 0 18 -3,-1.6 19,-1.9 1,-0.1 20,-0.3 -0.379 79.0-106.3 -69.4 146.5 51.0 9.2 9.4 85 88 A P B > -M 102 0E 56 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.405 23.9-120.9 -69.1 149.5 49.2 12.1 7.7 86 89 A T G >> S+ 0 0 1 15,-2.5 3,-1.6 12,-0.3 4,-0.8 0.875 112.1 64.3 -57.1 -34.5 45.8 11.2 6.2 87 90 A T G 34 S+ 0 0 44 14,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.658 83.5 73.0 -68.2 -14.0 47.2 12.3 2.8 88 91 A K G <4 S+ 0 0 125 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.806 111.1 30.2 -68.5 -25.2 49.8 9.5 2.8 89 92 A Y T <4 S+ 0 0 24 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.476 131.1 37.5-109.1 -7.6 46.9 7.1 2.1 90 93 A W >< + 0 0 22 -4,-0.8 3,-2.3 3,-0.1 -1,-0.2 -0.596 62.6 170.3-142.6 72.5 44.7 9.5 0.2 91 94 A P T 3 S+ 0 0 78 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.771 75.1 69.5 -55.1 -28.4 47.1 11.7 -1.9 92 95 A E T 3 S+ 0 0 100 1,-0.2 2,-2.0 -3,-0.1 3,-0.2 0.626 74.2 89.7 -66.8 -14.5 44.0 13.0 -3.7 93 96 A L < + 0 0 1 -3,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.604 50.6 151.3 -83.7 81.8 43.0 14.8 -0.5 94 97 A T + 0 0 104 -2,-2.0 -1,-0.2 3,-0.0 5,-0.1 0.554 20.5 121.4 -92.8 -6.9 45.0 17.9 -1.5 95 98 A A > - 0 0 20 -3,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.306 67.4-126.2 -60.4 138.5 43.0 20.6 0.4 96 99 A K G > S+ 0 0 172 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.702 101.2 72.8 -61.4 -22.5 45.2 22.6 2.9 97 100 A Q G 3 S+ 0 0 41 1,-0.3 -1,-0.3 36,-0.2 -2,-0.1 0.713 90.6 63.9 -66.7 -14.7 43.0 22.0 5.9 98 101 A W G X S+ 0 0 2 -3,-1.8 3,-2.5 2,-0.1 -12,-0.3 0.671 71.5 111.3 -83.2 -14.8 44.2 18.4 5.8 99 102 A N T < S+ 0 0 98 -3,-1.4 3,-0.1 1,-0.3 -5,-0.0 -0.390 89.4 15.1 -57.8 125.1 47.8 19.3 6.6 100 103 A G T 3 S+ 0 0 51 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.477 91.5 122.9 90.3 -2.2 48.5 18.0 10.0 101 104 A I < - 0 0 0 -3,-2.5 -15,-2.5 40,-0.1 -14,-0.3 -0.869 44.3-169.6 -96.0 114.4 45.4 15.7 10.3 102 105 A T B > -M 85 0E 23 -2,-0.7 4,-1.7 -17,-0.3 5,-0.1 -0.441 39.4-102.1 -99.1 174.4 46.7 12.2 11.0 103 106 A L H > S+ 0 0 0 -19,-1.9 4,-2.6 -22,-0.3 5,-0.2 0.831 122.2 61.2 -64.2 -29.8 45.1 8.8 11.1 104 107 A L H > S+ 0 0 7 -22,-2.2 4,-1.7 -20,-0.3 6,-0.2 0.933 102.7 50.2 -61.2 -43.5 45.1 9.1 14.9 105 108 A H H 4>S+ 0 0 21 -23,-0.3 5,-1.9 1,-0.2 6,-0.6 0.905 112.2 46.9 -60.7 -43.1 42.9 12.1 14.6 106 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 -1,-0.2 0.943 112.0 49.7 -64.1 -46.7 40.4 10.3 12.3 107 110 A A H 3<5S+ 0 0 0 -4,-2.6 160,-0.5 1,-0.2 -1,-0.2 0.775 118.2 39.5 -63.1 -26.9 40.3 7.2 14.5 108 111 A T T 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.174 108.1-113.7-113.3 17.5 39.6 9.3 17.6 109 112 A Y T < 5S+ 0 0 3 -3,-1.1 37,-2.5 -4,-0.3 3,-0.2 0.716 84.8 114.1 60.3 27.3 37.2 12.0 16.4 110 113 A T < + 0 0 0 -5,-1.9 32,-3.0 -6,-0.2 33,-0.4 0.041 29.1 112.5-115.1 25.4 39.7 14.8 17.0 111 114 A A S S- 0 0 1 -6,-0.6 -1,-0.1 30,-0.2 -5,-0.1 0.718 100.5 -83.6 -71.1 -19.8 40.4 15.9 13.4 112 115 A G S S- 0 0 0 32,-0.4 26,-2.4 -3,-0.2 27,-1.7 0.630 90.4 -31.4 125.2 25.5 38.7 19.2 14.0 113 116 A G + 0 0 15 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.773 66.3 173.0 109.4 29.4 35.0 18.8 13.6 114 117 A L - 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