==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 17-FEB-12 4DR9 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR D.LORIMER,J.ABENDROTH,T.CRAIG,A.BURGIN,A.SEGALL,F.ROHWLER . 732 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34473.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 17.5 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 . 4 0.5 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 . 62 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 1 3 0 0 0 4 0 4 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 . 0 0 4 4 0 4 0 0 0 0 0 4 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 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 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 2 A T 0 0 148 0, 0.0 39,-0.1 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 118.6 60.8 71.1 2.1 2 3 A A + 0 0 59 1,-0.1 3,-0.0 126,-0.1 37,-0.0 -0.343 360.0 169.2 -59.2 133.5 59.0 67.9 3.1 3 4 A A + 0 0 89 2,-0.0 2,-0.5 1,-0.0 -1,-0.1 0.400 54.0 85.3-119.5 -4.2 60.8 66.0 6.0 4 5 A V - 0 0 40 2,-0.0 2,-0.4 0, 0.0 -1,-0.0 -0.886 63.8-155.4-103.4 123.1 58.1 63.4 6.8 5 6 A A - 0 0 46 -2,-0.5 2,-0.9 2,-0.1 42,-0.0 -0.803 13.2-136.8 -98.7 140.4 58.0 60.2 4.7 6 7 A I + 0 0 32 -2,-0.4 38,-0.0 1,-0.1 2,-0.0 -0.851 48.7 141.8 -99.0 93.0 54.8 58.2 4.3 7 8 A R + 0 0 205 -2,-0.9 2,-0.4 74,-0.1 -1,-0.1 -0.521 26.8 177.9-134.1 62.0 56.2 54.6 4.7 8 9 A V - 0 0 23 1,-0.0 2,-0.1 -2,-0.0 -2,-0.1 -0.606 22.1-141.0 -89.5 123.4 53.4 52.8 6.7 9 10 A A - 0 0 79 -2,-0.4 2,-0.8 1,-0.1 45,-0.1 -0.464 22.1-122.2 -69.1 146.2 53.4 49.1 7.7 10 11 A K + 0 0 68 -2,-0.1 2,-0.3 44,-0.1 41,-0.1 -0.816 56.2 141.9 -94.1 103.2 50.1 47.2 7.5 11 12 A K - 0 0 38 -2,-0.8 2,-0.4 40,-0.2 208,-0.0 -0.956 56.9-110.4-144.6 151.1 49.6 45.9 11.0 12 13 A K - 0 0 77 -2,-0.3 2,-0.4 44,-0.1 43,-0.1 -0.730 41.0-157.0 -79.2 136.3 46.9 45.3 13.7 13 14 A L - 0 0 69 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.959 21.8-143.6-122.3 136.5 47.4 47.8 16.4 14 15 A A S S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.878 101.1 21.4 -60.7 -37.5 46.3 47.5 20.1 15 16 A K S S- 0 0 81 -3,-0.1 -1,-0.3 0, 0.0 37,-0.0 -0.899 84.8-146.2-137.5 95.8 45.6 51.3 20.2 16 17 A P - 0 0 52 0, 0.0 36,-0.1 0, 0.0 32,-0.1 -0.363 18.7-125.1 -64.4 146.2 45.0 52.9 16.8 17 18 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.760 91.7 42.2 -70.6 -25.6 46.3 56.5 16.6 18 19 A L S S- 0 0 25 30,-0.3 2,-0.5 31,-0.1 49,-0.1 -0.894 82.9-125.2-118.0 151.6 43.1 58.0 15.4 19 20 A D - 0 0 105 47,-0.4 2,-0.1 -2,-0.3 33,-0.0 -0.858 19.0-131.8-102.8 128.5 39.5 57.2 16.7 20 21 A L - 0 0 33 -2,-0.5 2,-0.3 46,-0.1 46,-0.2 -0.388 13.4-148.1 -67.7 149.2 36.7 56.2 14.4 21 22 A H - 0 0 49 44,-2.3 2,-0.3 -2,-0.1 46,-0.1 -0.883 16.8-142.8-116.9 150.9 33.2 57.8 14.6 22 23 A Y > - 0 0 88 -2,-0.3 3,-2.4 1,-0.1 85,-0.2 -0.769 32.8 -65.0-121.6 156.1 30.1 55.8 13.8 23 24 A L T 3 S+ 0 0 3 83,-2.6 552,-0.4 -2,-0.3 153,-0.2 -0.073 120.9 36.4 -39.5 126.9 26.7 56.4 12.1 24 25 A G T 3 S+ 0 0 22 1,-0.4 -1,-0.3 155,-0.3 2,-0.2 -0.240 87.7 117.8 114.7 -35.6 24.6 58.9 14.2 25 26 A D X - 0 0 18 -3,-2.4 3,-1.5 1,-0.1 -1,-0.4 -0.447 65.1-140.0 -65.0 128.4 27.7 61.0 15.0 26 27 A R G > S+ 0 0 91 546,-0.4 3,-1.9 1,-0.3 4,-0.2 0.729 94.8 74.9 -69.0 -20.3 27.3 64.5 13.6 27 28 A V G > S+ 0 0 43 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.855 91.4 58.1 -57.2 -29.8 31.0 64.6 12.6 28 29 A L G < S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.569 104.7 50.8 -76.5 -8.7 30.1 62.2 9.7 29 30 A R G < S+ 0 0 51 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.236 84.4 102.9-114.2 10.5 27.6 64.7 8.4 30 31 A Q S < S- 0 0 43 -3,-1.1 123,-0.4 -4,-0.2 124,-0.1 -0.872 75.8-123.3-100.5 111.9 29.8 67.8 8.3 31 32 A P - 0 0 90 0, 0.0 121,-0.2 0, 0.0 120,-0.1 -0.314 39.9-107.7 -47.6 124.9 31.1 68.7 4.8 32 33 A A - 0 0 8 119,-3.2 2,-0.1 38,-0.1 38,-0.1 -0.362 24.9-121.1 -69.8 139.5 34.9 68.8 5.0 33 34 A K - 0 0 45 36,-0.3 38,-2.2 1,-0.1 54,-0.1 -0.434 36.8 -98.4 -69.6 141.5 37.0 72.0 4.9 34 35 A R - 0 0 168 36,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.318 38.9-105.9 -53.8 148.3 39.6 72.4 2.2 35 36 A V - 0 0 9 36,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.701 32.8-166.5 -80.0 122.1 43.1 71.6 3.1 36 37 A S + 0 0 130 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.801 67.8 17.0 -76.0 -36.4 44.9 75.0 3.4 37 38 A R - 0 0 182 2,-0.0 2,-1.0 0, 0.0 -1,-0.3 -0.994 59.2-145.8-150.5 128.0 48.4 73.8 3.5 38 39 A I + 0 0 41 -2,-0.4 2,-0.2 -3,-0.1 48,-0.0 -0.848 50.3 140.1 -99.4 95.5 50.2 70.6 2.5 39 40 A D > - 0 0 60 -2,-1.0 4,-2.0 -37,-0.0 3,-0.3 -0.633 68.4 -83.3-128.4-175.3 53.0 70.5 5.1 40 41 A D H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.823 124.5 58.0 -67.7 -31.8 54.7 67.9 7.3 41 42 A E H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 106.5 49.1 -61.0 -39.7 52.1 68.1 10.0 42 43 A L H > S+ 0 0 8 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.918 107.9 55.5 -67.5 -38.4 49.5 67.0 7.4 43 44 A R H X S+ 0 0 15 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.830 104.9 51.9 -63.8 -30.4 51.8 64.2 6.3 44 45 A Q H X S+ 0 0 69 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.913 108.7 51.0 -72.7 -37.5 51.9 62.9 9.9 45 46 A T H X S+ 0 0 22 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.884 108.3 53.1 -62.4 -36.8 48.1 62.9 9.9 46 47 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.933 108.3 49.4 -63.6 -44.2 48.3 61.0 6.7 47 48 A R H X S+ 0 0 56 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.914 111.4 48.8 -60.0 -44.9 50.5 58.4 8.3 48 49 A Q H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -30,-0.3 0.881 109.3 52.5 -68.3 -33.9 48.1 58.1 11.3 49 50 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.931 111.0 47.6 -62.3 -45.7 45.1 57.7 8.9 50 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.934 112.1 48.8 -64.3 -43.9 46.9 54.9 7.1 51 52 A Q H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 114.2 46.4 -60.9 -42.4 47.8 53.2 10.4 52 53 A T H X S+ 0 0 5 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.916 112.9 50.0 -64.3 -45.4 44.3 53.4 11.6 53 54 A M H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.2 0.929 112.6 46.0 -57.5 -51.6 42.9 52.2 8.2 54 55 A Y H ><5S+ 0 0 13 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.893 109.3 53.7 -63.5 -43.5 45.1 49.1 8.1 55 56 A S H 3<5S+ 0 0 22 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.849 112.6 44.4 -59.8 -38.5 44.5 48.2 11.7 56 57 A A T 3<5S- 0 0 29 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.327 114.5-118.7 -84.0 3.5 40.7 48.2 11.0 57 58 A D T < 5 + 0 0 43 -3,-1.3 -3,-0.2 -4,-0.2 2,-0.2 0.802 61.3 149.5 59.9 35.5 41.2 46.3 7.7 58 59 A G < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.530 48.1-147.2 -89.4 163.3 39.8 49.0 5.5 59 60 A I S S+ 0 0 33 1,-0.2 17,-2.8 -2,-0.2 2,-0.3 0.495 84.2 15.8-103.8 -7.1 40.7 49.9 1.9 60 61 A G E -A 75 0A 5 15,-0.3 2,-0.3 -7,-0.1 15,-0.3 -0.965 59.7-165.3-155.3 164.0 40.1 53.6 2.3 61 62 A L E -A 74 0A 0 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.939 8.0-154.4-155.7 129.4 39.6 56.2 5.0 62 63 A A E > -A 73 0A 0 -2,-0.3 3,-2.0 11,-0.2 4,-0.5 -0.895 28.1-120.9-104.9 139.6 38.3 59.8 4.9 63 64 A A G > >S+ 0 0 0 9,-2.8 5,-2.4 -2,-0.4 3,-1.9 0.830 108.0 63.4 -52.9 -40.1 39.4 62.3 7.5 64 65 A P G > 5S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.819 92.2 66.4 -53.8 -28.3 35.9 63.0 8.8 65 66 A Q G < 5S+ 0 0 2 -3,-2.0 -44,-2.3 1,-0.3 -2,-0.2 0.732 107.0 40.5 -65.6 -24.4 35.6 59.4 9.9 66 67 A V G < 5S- 0 0 11 -3,-1.9 -47,-0.4 -4,-0.5 -1,-0.3 0.081 126.6 -99.5-110.0 21.6 38.3 60.1 12.5 67 68 A G T < 5S+ 0 0 40 -3,-1.8 2,-0.6 1,-0.2 -2,-0.1 0.685 81.5 132.5 76.2 20.6 36.9 63.5 13.4 68 69 A I < - 0 0 30 -5,-2.4 2,-1.9 -6,-0.1 -1,-0.2 -0.920 51.1-146.2-108.0 119.3 39.4 65.5 11.3 69 70 A N + 0 0 91 -2,-0.6 2,-0.3 -3,-0.1 -36,-0.3 -0.568 56.2 113.7 -90.0 75.2 37.4 68.1 9.3 70 71 A K S S- 0 0 79 -2,-1.9 2,-2.1 2,-0.2 -7,-0.3 -0.995 76.5-112.8-147.0 145.9 39.6 68.1 6.1 71 72 A Q S S+ 0 0 40 -38,-2.2 16,-2.7 -2,-0.3 2,-0.4 -0.531 72.9 128.5 -76.5 77.4 39.3 67.1 2.5 72 73 A L E + B 0 86A 0 -2,-2.1 -9,-2.8 14,-0.2 2,-0.3 -0.991 31.2 175.3-144.4 127.1 41.7 64.3 2.9 73 74 A I E -AB 62 85A 0 12,-2.2 12,-2.6 -2,-0.4 2,-0.4 -0.974 12.3-162.0-132.9 140.6 41.4 60.6 1.9 74 75 A V E -AB 61 84A 0 -13,-2.6 -13,-2.4 -2,-0.3 2,-0.3 -0.963 13.7-177.9-121.6 143.4 43.8 57.6 1.9 75 76 A I E +AB 60 83A 3 8,-2.0 8,-3.0 -2,-0.4 2,-0.3 -0.994 13.2 166.7-140.5 133.9 43.2 54.5 -0.1 76 77 A D + 0 0 18 -17,-2.8 -2,-0.0 -2,-0.3 -16,-0.0 -0.794 5.4 164.3-151.2 108.8 45.1 51.2 -0.4 77 78 A L + 0 0 32 -2,-0.3 2,-0.1 140,-0.0 -1,-0.1 0.455 40.3 118.8 -90.2 -10.5 43.4 48.2 -2.2 78 79 A E 0 0 129 1,-0.2 235,-0.0 -19,-0.1 -2,-0.0 -0.420 360.0 360.0 -80.5 137.8 46.5 46.1 -2.7 79 80 A L 0 0 45 234,-0.3 139,-0.3 -2,-0.1 -1,-0.2 0.368 360.0 360.0 -92.1 360.0 47.2 42.7 -1.3 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 86 A P 0 0 159 0, 0.0 -74,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 121.3 52.0 52.7 -2.8 82 87 A P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.148 360.0-116.6 -66.0 155.7 48.9 54.0 -1.1 83 88 A L E -B 75 0A 31 -8,-3.0 -8,-2.0 43,-0.1 2,-0.5 -0.773 26.1-166.1 -90.9 126.6 46.8 56.7 -2.8 84 89 A V E -B 74 0A 2 -2,-0.5 2,-0.6 -10,-0.2 -10,-0.2 -0.967 2.1-168.4-113.3 120.9 46.6 60.1 -1.0 85 90 A L E -B 73 0A 0 -12,-2.6 -12,-2.2 -2,-0.5 2,-0.4 -0.946 3.5-175.0-110.7 118.8 43.9 62.5 -2.2 86 91 A I E S-BC 72 125A 1 39,-1.9 39,-2.4 -2,-0.6 -14,-0.2 -0.959 73.9 -12.4-115.6 131.9 44.0 66.1 -0.9 87 92 A N E S- 0 0 22 -16,-2.7 -1,-0.2 -2,-0.4 -15,-0.1 0.875 90.5-171.8 42.0 52.9 41.2 68.4 -1.9 88 93 A P E - 0 0 10 0, 0.0 2,-0.4 0, 0.0 36,-0.2 -0.234 14.2-163.8 -71.8 161.4 39.9 66.0 -4.6 89 94 A K E - C 0 123A 113 34,-2.4 34,-2.5 3,-0.0 2,-0.5 -0.980 21.1-128.8-140.1 133.6 37.2 66.8 -7.1 90 95 A I E - C 0 122A 58 -2,-0.4 32,-0.2 32,-0.2 3,-0.1 -0.681 20.9-171.7 -75.8 122.7 35.2 64.4 -9.2 91 96 A E E - 0 0 69 30,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.839 61.8 -40.5 -88.1 -36.4 35.6 65.7 -12.7 92 97 A R E - C 0 121A 121 29,-1.0 29,-2.6 -3,-0.1 -1,-0.4 -0.948 51.2-124.4-173.2 170.9 33.0 63.2 -14.1 93 98 A T E + C 0 120A 60 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.779 25.6 176.9-120.0 167.6 31.7 59.6 -14.1 94 99 A A E + C 0 119A 27 25,-2.3 25,-2.3 -2,-0.3 24,-0.3 -0.914 33.9 51.2-158.5 179.0 31.3 57.1 -16.8 95 100 A G E S- 0 0 49 -2,-0.3 2,-0.1 23,-0.2 -2,-0.0 -0.215 88.7 -44.5 73.9-169.3 30.3 53.5 -17.5 96 101 A D E - 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