==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTIC 01-AUG-09 2KMN . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR C.A.MCELROY,C.D.AMERO,D.W.BYERLY,M.P.FOSTER . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8269.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 99 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 1 0 0 0 0 1 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 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 1 A S 0 0 109 0, 0.0 2,-0.4 0, 0.0 36,-0.3 0.000 360.0 360.0 360.0 41.3 242.7 12.7 18.8 2 2 A V - 0 0 74 34,-0.2 32,-0.1 35,-0.1 31,-0.1 -0.660 360.0-152.8 -84.3 133.2 245.2 9.9 18.0 3 3 A L - 0 0 44 30,-0.5 2,-0.8 -2,-0.4 -1,-0.1 0.289 49.3 -51.0 -80.5-147.5 244.1 6.3 18.8 4 4 A Q - 0 0 136 47,-0.5 2,-0.5 48,-0.0 -1,-0.1 -0.816 57.5-159.3 -98.6 104.8 246.5 3.4 19.5 5 5 A V - 0 0 32 -2,-0.8 46,-0.3 47,-0.1 2,-0.2 -0.715 7.2-142.8 -88.4 126.4 249.2 3.2 16.8 6 6 A L - 0 0 18 44,-2.8 2,-0.4 -2,-0.5 4,-0.1 -0.592 15.2-149.8 -85.9 145.0 251.0 -0.1 16.4 7 7 A H - 0 0 110 2,-0.2 86,-0.2 -2,-0.2 85,-0.1 -0.942 29.3 -68.3-123.0 144.1 254.7 -0.1 15.6 8 8 A I S S+ 0 0 52 84,-0.6 2,-0.1 -2,-0.4 3,-0.0 -0.441 115.6 50.1 -65.8 132.7 256.9 -2.5 13.7 9 9 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.471 87.2 130.1 -77.3 143.7 257.6 -5.1 14.7 10 10 A D >> - 0 0 28 1,-0.1 4,-1.6 -4,-0.1 3,-0.6 -0.891 54.6-142.7-162.5 126.8 253.9 -5.8 15.3 11 11 A E T 34 S+ 0 0 135 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.928 103.9 56.5 -57.9 -45.8 251.8 -8.8 14.3 12 12 A R T >4 S+ 0 0 71 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.797 105.5 50.5 -59.9 -26.8 248.8 -6.5 13.6 13 13 A L T <4 S+ 0 0 0 -3,-0.6 -1,-0.2 1,-0.2 126,-0.2 0.846 117.6 40.1 -77.7 -30.6 250.8 -4.5 11.1 14 14 A R T 3< S+ 0 0 137 -4,-1.6 2,-0.3 -3,-0.4 -1,-0.2 0.229 101.2 108.2 -95.1 8.6 251.8 -7.7 9.5 15 15 A K S < S- 0 0 85 -3,-0.5 124,-0.5 -5,-0.2 2,-0.4 -0.643 76.7-113.3 -90.2 147.7 248.2 -8.9 10.0 16 16 A V B -A 138 0A 93 -2,-0.3 122,-0.3 122,-0.2 2,-0.3 -0.652 30.2-141.1 -81.9 128.8 245.8 -9.3 7.2 17 17 A A - 0 0 3 120,-0.6 38,-0.2 -2,-0.4 37,-0.1 -0.664 7.5-139.5 -90.3 145.4 242.9 -6.9 7.5 18 18 A K B -b 55 0B 119 36,-0.6 38,-0.7 -2,-0.3 2,-0.6 -0.898 13.5-129.6-107.1 131.4 239.3 -8.0 6.6 19 19 A P - 0 0 39 0, 0.0 38,-0.1 0, 0.0 2,-0.0 -0.687 31.4-127.8 -81.6 114.4 237.0 -5.6 4.7 20 20 A V - 0 0 36 -2,-0.6 3,-0.1 1,-0.1 35,-0.0 -0.317 5.2-129.5 -69.0 144.9 233.7 -5.4 6.6 21 21 A E S S+ 0 0 188 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.661 91.0 16.2 -63.3 -21.3 230.4 -6.1 4.9 22 22 A E S S- 0 0 136 2,-0.0 2,-0.8 0, 0.0 -1,-0.2 -0.985 81.3-107.4-157.8 144.5 229.0 -2.8 6.3 23 23 A V - 0 0 24 -2,-0.3 2,-0.2 92,-0.1 -2,-0.0 -0.636 39.7-166.4 -79.6 106.8 230.2 0.4 7.9 24 24 A N > - 0 0 57 -2,-0.8 4,-2.8 1,-0.1 3,-0.3 -0.613 35.1-113.0 -92.6 153.2 229.4 0.4 11.6 25 25 A A H > S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.772 124.0 53.5 -54.1 -24.2 229.5 3.3 14.0 26 26 A E H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.915 109.0 47.0 -75.1 -42.2 232.4 1.5 15.6 27 27 A I H > S+ 0 0 1 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.849 109.6 55.2 -65.2 -35.7 234.1 1.2 12.2 28 28 A Q H X S+ 0 0 67 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.901 105.6 50.6 -66.3 -40.6 233.4 5.0 11.7 29 29 A R H X S+ 0 0 158 -4,-1.6 4,-2.3 -5,-0.2 5,-0.3 0.896 106.1 58.3 -62.8 -38.7 235.1 5.9 14.9 30 30 A I H X S+ 0 0 38 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.930 110.9 39.5 -56.1 -50.0 238.1 3.8 13.8 31 31 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.905 111.5 58.3 -67.2 -43.1 238.5 5.9 10.6 32 32 A D H X S+ 0 0 44 -4,-2.4 4,-1.8 1,-0.3 -2,-0.2 0.888 112.9 39.3 -55.4 -41.1 237.8 9.1 12.3 33 33 A D H X S+ 0 0 55 -4,-2.3 4,-3.3 2,-0.2 -30,-0.5 0.770 107.7 65.7 -76.4 -30.2 240.7 8.5 14.7 34 34 A M H X S+ 0 0 0 -4,-1.5 4,-3.0 -5,-0.3 -2,-0.2 0.936 109.7 36.3 -60.7 -44.6 242.8 7.1 11.9 35 35 A F H X S+ 0 0 26 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.941 114.8 56.4 -70.2 -46.2 242.9 10.5 10.2 36 36 A E H X S+ 0 0 71 -4,-1.8 4,-1.5 -5,-0.3 -34,-0.2 0.895 116.2 38.1 -51.9 -41.0 243.1 12.2 13.5 37 37 A T H X S+ 0 0 2 -4,-3.3 4,-2.2 -36,-0.3 5,-0.3 0.978 113.4 53.6 -70.4 -61.8 246.1 10.1 14.3 38 38 A M H <>S+ 0 0 0 -4,-3.0 5,-3.3 1,-0.3 -2,-0.2 0.839 113.5 44.3 -46.2 -41.1 247.6 10.2 10.8 39 39 A Y H ><5S+ 0 0 64 -4,-3.4 3,-1.5 3,-0.2 -1,-0.3 0.913 109.8 54.2 -70.1 -42.6 247.5 13.9 10.8 40 40 A A H 3<5S+ 0 0 60 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.786 112.0 46.2 -61.3 -24.3 248.8 14.1 14.3 41 41 A E T 3<5S- 0 0 106 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.510 112.5-128.6 -89.1 -11.2 251.6 11.9 12.9 42 42 A E T < 5 + 0 0 161 -3,-1.5 -3,-0.2 -5,-0.3 2,-0.2 0.732 55.9 156.6 63.8 25.4 251.7 14.4 10.0 43 43 A G < - 0 0 14 -5,-3.3 -1,-0.2 -6,-0.2 3,-0.1 -0.527 50.7-135.4 -80.3 144.5 251.5 11.3 7.8 44 44 A I S S+ 0 0 81 1,-0.2 17,-3.1 -2,-0.2 2,-0.2 0.437 89.0 0.7 -79.9 0.7 250.2 11.6 4.3 45 45 A G E -C 60 0C 12 15,-0.3 2,-0.4 16,-0.2 15,-0.3 -0.799 63.8-150.9 178.0 140.3 248.1 8.5 4.9 46 46 A L E -C 59 0C 0 13,-2.1 13,-2.4 -2,-0.2 2,-0.4 -0.984 11.5-146.0-127.4 135.2 247.4 6.0 7.6 47 47 A A E >> -C 58 0C 0 -2,-0.4 3,-2.6 11,-0.2 4,-0.9 -0.853 25.5-116.6-104.5 133.3 246.4 2.3 7.2 48 48 A A G >4>S+ 0 0 0 9,-3.3 5,-2.4 -2,-0.4 3,-0.9 0.752 113.4 53.6 -26.8 -57.2 244.0 0.5 9.7 49 49 A T G >45S+ 0 0 0 1,-0.3 3,-1.4 3,-0.2 -1,-0.3 0.825 102.8 60.0 -54.4 -34.9 246.6 -2.0 10.9 50 50 A Q G <45S+ 0 0 0 -3,-2.6 -44,-2.8 1,-0.3 -1,-0.3 0.865 106.2 45.5 -62.1 -40.0 248.9 0.8 11.7 51 51 A V G <<5S- 0 0 0 -4,-0.9 -47,-0.5 -3,-0.9 -1,-0.3 0.220 128.6 -95.2 -93.4 18.4 246.4 2.3 14.1 52 52 A D T < 5S+ 0 0 37 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.708 84.3 128.3 80.1 25.5 245.7 -1.1 15.7 53 53 A I < - 0 0 12 -5,-2.4 2,-2.9 -6,-0.2 4,-0.3 -0.891 47.7-155.8-119.2 107.4 242.6 -2.1 13.7 54 54 A H + 0 0 85 -2,-0.6 -36,-0.6 -5,-0.1 2,-0.3 -0.311 66.4 98.5 -75.9 60.6 242.7 -5.5 12.1 55 55 A Q B S-b 18 0B 45 -2,-2.9 2,-2.6 -38,-0.2 -38,-0.1 -0.981 88.8-106.5-147.2 131.6 240.2 -4.5 9.5 56 56 A R + 0 0 54 -38,-0.7 18,-1.8 -2,-0.3 2,-0.5 -0.360 65.7 144.1 -64.7 75.6 241.0 -3.3 5.9 57 57 A I E - D 0 73C 0 -2,-2.6 -9,-3.3 -4,-0.3 2,-0.4 -0.968 27.7-169.4-117.3 125.1 240.3 0.4 6.6 58 58 A I E -CD 47 72C 0 14,-2.0 14,-2.8 -2,-0.5 2,-0.4 -0.942 9.8-169.1-122.6 142.4 242.4 3.0 4.8 59 59 A V E -CD 46 71C 2 -13,-2.4 -13,-2.1 -2,-0.4 2,-0.3 -0.989 12.2-156.2-127.8 132.5 242.7 6.7 5.3 60 60 A I E +CD 45 70C 1 10,-3.2 10,-1.8 -2,-0.4 -15,-0.3 -0.794 23.5 174.4-114.6 154.9 244.6 9.0 2.9 61 61 A D + 0 0 17 -17,-3.1 2,-0.8 -2,-0.3 -16,-0.2 -0.087 32.4 139.4-145.1 31.9 246.2 12.4 3.3 62 62 A V - 0 0 5 1,-0.1 2,-3.7 5,-0.1 7,-0.2 -0.769 56.2-130.2 -89.9 107.0 247.8 12.9 -0.1 63 63 A S + 0 0 67 -2,-0.8 5,-0.1 1,-0.2 -1,-0.1 -0.211 46.8 156.0 -55.8 65.8 247.4 16.5 -1.2 64 64 A E S S- 0 0 117 -2,-3.7 -1,-0.2 3,-0.1 2,-0.2 0.361 75.7 -5.0 -75.8 7.5 246.1 15.5 -4.6 65 65 A N S S- 0 0 127 1,-0.0 3,-0.1 -3,-0.0 -2,-0.0 -0.647 114.3 -42.3-163.3-139.5 244.4 18.9 -4.6 66 66 A R S S+ 0 0 207 1,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.973 118.4 25.2 -75.6 -58.6 243.9 21.9 -2.3 67 67 A D S S- 0 0 139 -5,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.924 76.8-127.9-115.5 135.5 243.1 20.2 1.0 68 68 A E + 0 0 69 -2,-0.4 -5,-0.1 -7,-0.1 -7,-0.1 -0.625 52.9 127.8 -79.7 129.8 244.1 16.7 2.1 69 69 A R + 0 0 155 -2,-0.4 2,-0.4 -7,-0.2 -8,-0.2 -0.078 21.1 157.8-179.9 63.8 241.2 14.6 3.4 70 70 A L E +D 60 0C 51 -10,-1.8 -10,-3.2 42,-0.0 2,-0.4 -0.850 10.3 176.6-103.4 133.3 240.9 11.2 1.8 71 71 A V E +D 59 0C 13 -2,-0.4 2,-0.3 -12,-0.3 -12,-0.2 -0.998 2.8 171.2-135.9 133.9 239.0 8.3 3.5 72 72 A L E -D 58 0C 1 -14,-2.8 -14,-2.0 -2,-0.4 2,-0.4 -0.998 16.2-152.4-140.6 141.8 238.3 4.8 2.2 73 73 A I E S-DE 57 111C 2 38,-2.2 38,-1.5 -2,-0.3 -16,-0.2 -0.959 76.2 -10.6-120.2 132.9 236.8 1.7 3.9 74 74 A N E S- 0 0 16 -18,-1.8 -17,-0.2 -2,-0.4 -1,-0.2 0.831 85.8-168.2 53.7 37.7 237.6 -1.9 2.9 75 75 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 35,-0.3 -0.180 6.8-164.2 -57.1 148.3 239.3 -0.8 -0.4 76 76 A E E - E 0 109C 92 33,-2.7 33,-2.7 -57,-0.0 2,-0.3 -0.984 21.9-111.0-135.8 144.6 240.1 -3.3 -3.1 77 77 A L E + E 0 108C 55 -2,-0.3 31,-0.2 31,-0.2 3,-0.1 -0.566 32.8 169.3 -80.0 138.0 242.4 -3.1 -6.1 78 78 A L E - 0 0 68 29,-2.5 2,-0.3 1,-0.4 30,-0.2 0.704 65.9 -3.2-113.0 -39.3 240.9 -3.0 -9.5 79 79 A E E - E 0 107C 114 28,-1.7 28,-1.8 2,-0.0 -1,-0.4 -0.976 53.8-172.9-160.0 145.4 243.9 -2.1 -11.8 80 80 A K E + E 0 106C 123 -2,-0.3 2,-0.3 26,-0.3 26,-0.3 -0.974 9.6 171.7-138.5 149.6 247.5 -1.2 -11.6 81 81 A S E + E 0 105C 52 24,-2.1 24,-2.9 -2,-0.3 23,-1.4 -0.987 41.0 27.6-159.0 149.2 250.1 0.0 -14.2 82 82 A G E S- 0 0 31 -2,-0.3 22,-1.5 21,-0.2 2,-0.6 0.297 73.4-101.2 76.8 149.6 253.6 1.4 -14.4 83 83 A E E + E 0 103C 174 20,-0.3 2,-0.3 21,-0.1 20,-0.2 -0.920 42.8 175.7-117.6 113.7 256.4 0.7 -12.0 84 84 A T E - E 0 102C 34 18,-3.6 18,-2.3 -2,-0.6 2,-0.3 -0.723 16.0-169.5-112.1 160.4 257.3 3.3 -9.4 85 85 A G E + E 0 101C 23 -2,-0.3 2,-0.3 16,-0.3 14,-0.1 -0.921 17.0 156.8-151.3 118.7 259.7 3.6 -6.5 86 86 A I E - E 0 100C 99 14,-1.3 14,-1.8 -2,-0.3 2,-0.2 -0.998 41.5-105.7-147.8 139.9 259.7 6.4 -3.9 87 87 A E E + E 0 99C 114 -2,-0.3 2,-0.3 12,-0.3 12,-0.3 -0.428 48.5 153.9 -71.2 137.3 261.0 6.7 -0.4 88 88 A E E - E 0 98C 36 10,-1.8 10,-2.4 -2,-0.2 2,-0.3 -0.982 30.6-133.9-155.2 161.7 258.5 6.7 2.4 89 89 A G - 0 0 28 8,-0.3 2,-0.4 -2,-0.3 8,-0.2 -0.769 17.4-127.4-121.4 164.3 258.1 5.8 6.0 90 90 A C > > - 0 0 5 -2,-0.3 3,-0.9 6,-0.2 5,-0.7 -0.936 16.8-129.6-118.6 139.0 255.5 3.9 8.0 91 91 A L T 3 5S+ 0 0 19 -2,-0.4 -1,-0.1 1,-0.3 -45,-0.0 0.766 116.4 52.2 -49.6 -26.8 253.5 5.0 11.1 92 92 A S T 3 5S+ 0 0 1 -85,-0.1 -84,-0.6 2,-0.1 -1,-0.3 0.843 103.2 66.6 -78.8 -36.5 254.7 1.6 12.4 93 93 A I T < 5S- 0 0 23 -3,-0.9 2,-2.4 -86,-0.2 -4,-0.0 -0.552 100.3-106.1 -85.8 150.1 258.3 2.3 11.6 94 94 A P T 5S- 0 0 93 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.162 77.0 -70.2 -72.4 49.3 260.3 5.1 13.5 95 95 A E S - 0 0 44 4,-1.3 3,-2.4 -2,-0.3 4,-0.4 -0.438 31.9-101.9 -84.7 162.9 233.9 6.7 2.3 113 113 A R T 3 S+ 0 0 56 1,-0.3 -81,-0.1 -42,-0.2 -1,-0.1 0.697 123.8 63.1 -53.5 -17.7 234.0 7.5 6.1 114 114 A D T 3 S- 0 0 104 -43,-0.1 -1,-0.3 2,-0.1 -86,-0.1 0.787 122.4-103.9 -79.0 -28.8 230.3 8.3 5.5 115 115 A G S < S+ 0 0 30 -3,-2.4 -2,-0.1 1,-0.2 -92,-0.1 0.748 78.0 125.1 109.3 35.5 229.5 4.8 4.5 116 116 A K - 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