==== 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 17-FEB-12 4DR8 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR D.LORIMER,J.ABENDROTH,T.CRAIG,A.BURGIN,A.SEGALL,F.ROHWER . 743 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 128 17.2 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 . 59 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 18.2 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 2 1 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 151 0, 0.0 2,-0.2 0, 0.0 39,-0.1 0.000 360.0 360.0 360.0 117.5 62.4 70.8 2.1 2 3 A A + 0 0 65 1,-0.1 3,-0.0 130,-0.1 37,-0.0 -0.413 360.0 167.0 -66.2 130.9 60.9 67.4 3.2 3 4 A A + 0 0 90 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 0.220 53.5 85.3-126.2 9.8 62.6 65.5 6.0 4 5 A V - 0 0 41 2,-0.0 2,-0.4 0, 0.0 -1,-0.0 -0.976 63.9-153.5-113.6 124.8 59.9 62.9 7.0 5 6 A A - 0 0 68 -2,-0.5 2,-1.0 2,-0.1 -2,-0.0 -0.810 11.9-138.0 -98.3 138.2 59.8 59.7 4.9 6 7 A I + 0 0 18 -2,-0.4 38,-0.0 1,-0.1 125,-0.0 -0.819 49.4 140.1 -92.1 90.7 56.6 57.7 4.5 7 8 A R + 0 0 217 -2,-1.0 2,-0.5 78,-0.1 -1,-0.1 -0.467 24.6 171.0-133.4 61.9 58.0 54.1 4.9 8 9 A V - 0 0 24 1,-0.1 2,-0.1 -2,-0.0 -2,-0.1 -0.624 33.1-126.2 -89.1 123.9 55.3 52.4 6.9 9 10 A A - 0 0 72 -2,-0.5 2,-2.1 1,-0.1 45,-0.1 -0.383 22.9-125.1 -57.6 134.6 55.4 48.6 7.5 10 11 A K S S+ 0 0 31 -2,-0.1 2,-0.4 44,-0.0 -1,-0.1 -0.475 71.7 120.7 -83.0 66.7 52.0 47.0 6.5 11 12 A K - 0 0 41 -2,-2.1 2,-0.3 215,-0.1 44,-0.2 -0.969 68.7-111.7-138.3 141.9 51.7 45.5 9.9 12 13 A K - 0 0 82 -2,-0.4 2,-0.3 42,-0.2 43,-0.1 -0.655 35.7-145.4 -74.3 136.4 49.2 45.7 12.7 13 14 A L - 0 0 69 -2,-0.3 -1,-0.0 38,-0.3 0, 0.0 -0.788 17.4-130.8-105.2 143.6 50.6 47.4 15.8 14 15 A A S S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.876 108.2 27.6 -53.3 -43.6 49.8 46.6 19.5 15 16 A K S S- 0 0 84 -3,-0.0 -1,-0.3 0, 0.0 40,-0.0 -0.761 81.9-159.7-126.6 85.1 49.2 50.4 20.0 16 17 A P - 0 0 56 0, 0.0 36,-0.1 0, 0.0 32,-0.1 -0.363 19.1-130.4 -63.3 147.6 47.9 52.1 16.9 17 18 A P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.711 79.8 46.3 -80.9 -25.2 48.5 55.9 17.1 18 19 A L S S- 0 0 32 30,-0.4 2,-0.4 31,-0.1 49,-0.1 -0.827 73.9-128.4-119.5 157.4 45.0 57.3 16.1 19 20 A D - 0 0 111 47,-0.3 2,-0.1 -2,-0.3 33,-0.0 -0.878 20.0-128.0-107.9 135.2 41.4 56.5 17.2 20 21 A L - 0 0 31 -2,-0.4 2,-0.3 46,-0.1 46,-0.2 -0.437 13.1-145.8 -76.7 151.5 38.6 55.8 14.8 21 22 A H - 0 0 52 44,-2.0 2,-0.2 -2,-0.1 46,-0.1 -0.914 18.8-142.9-117.1 149.3 35.1 57.4 15.0 22 23 A Y > - 0 0 84 -2,-0.3 3,-2.9 1,-0.1 89,-0.2 -0.730 31.7 -66.7-126.0 158.7 32.0 55.6 14.1 23 24 A L T 3 S+ 0 0 4 87,-2.4 562,-0.4 1,-0.3 157,-0.2 -0.079 120.3 36.9 -46.0 127.4 28.6 56.1 12.4 24 25 A G T 3 S+ 0 0 20 1,-0.4 -1,-0.3 159,-0.3 2,-0.2 -0.233 86.6 114.9 116.1 -43.3 26.6 58.6 14.5 25 26 A D X - 0 0 21 -3,-2.9 3,-1.7 558,-0.2 -1,-0.4 -0.430 67.7-136.2 -63.4 127.3 29.6 60.7 15.4 26 27 A R G > S+ 0 0 90 556,-0.4 3,-1.8 1,-0.3 4,-0.2 0.725 96.5 75.9 -60.3 -19.4 29.3 64.2 14.0 27 28 A V G > S+ 0 0 47 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.809 90.9 56.9 -62.2 -27.2 32.9 64.2 12.9 28 29 A L G < S+ 0 0 2 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.542 104.1 52.4 -80.4 -8.7 31.9 61.9 10.0 29 30 A R G < S+ 0 0 53 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.265 84.4 100.3-110.8 10.3 29.4 64.4 8.7 30 31 A Q S < S- 0 0 105 -3,-0.8 127,-0.4 -4,-0.2 128,-0.1 -0.859 76.2-123.5-101.7 116.0 31.6 67.5 8.5 31 32 A P - 0 0 70 0, 0.0 125,-0.2 0, 0.0 2,-0.1 -0.364 41.5-103.1 -58.4 140.2 33.0 68.3 5.0 32 33 A A - 0 0 8 123,-2.5 2,-0.1 38,-0.1 39,-0.1 -0.350 24.9-118.1 -77.4 139.1 36.7 68.4 5.2 33 34 A K - 0 0 127 -2,-0.1 38,-2.2 1,-0.1 58,-0.1 -0.426 36.0-105.2 -69.1 141.5 38.8 71.4 5.3 34 35 A R - 0 0 160 36,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.371 35.4-111.1 -68.3 145.7 41.3 71.9 2.5 35 36 A V - 0 0 12 36,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.690 29.0-173.4 -82.9 123.9 45.0 71.2 3.3 36 37 A S + 0 0 115 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.788 69.3 33.7 -85.8 -35.5 47.1 74.4 3.3 37 38 A R - 0 0 186 2,-0.1 2,-1.0 0, 0.0 -1,-0.2 -0.982 54.3-163.0-128.5 125.1 50.6 72.9 3.8 38 39 A I + 0 0 40 -2,-0.4 2,-0.2 -3,-0.1 92,-0.0 -0.854 51.7 127.7-102.1 94.0 52.0 69.6 2.6 39 40 A D S > S- 0 0 56 -2,-1.0 4,-2.1 -37,-0.0 3,-0.2 -0.683 75.7 -71.9-138.2-170.5 54.9 69.5 4.9 40 41 A D H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.823 125.8 55.0 -64.8 -36.3 56.7 67.2 7.4 41 42 A E H > S+ 0 0 139 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.914 110.3 47.2 -60.0 -44.5 54.0 67.6 10.1 42 43 A L H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.895 109.0 55.0 -62.5 -41.0 51.4 66.5 7.5 43 44 A R H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.862 104.7 53.2 -65.1 -32.4 53.6 63.5 6.5 44 45 A Q H X S+ 0 0 65 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.929 108.9 49.3 -66.1 -39.6 53.8 62.4 10.2 45 46 A T H X S+ 0 0 21 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.917 109.0 53.6 -64.0 -40.3 50.0 62.4 10.2 46 47 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.946 108.6 49.1 -59.1 -46.3 50.1 60.4 6.9 47 48 A R H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.920 112.5 47.8 -58.1 -46.5 52.3 57.8 8.6 48 49 A Q H X S+ 0 0 54 -4,-2.3 4,-2.2 2,-0.2 -30,-0.4 0.869 109.6 52.5 -65.9 -35.9 50.0 57.6 11.6 49 50 A M H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.925 111.2 47.8 -64.7 -44.5 46.9 57.2 9.4 50 51 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.940 111.0 49.5 -58.5 -49.9 48.6 54.3 7.6 51 52 A Q H X S+ 0 0 37 -4,-2.6 4,-1.8 1,-0.2 -38,-0.3 0.906 113.9 47.1 -56.2 -41.5 49.6 52.7 10.8 52 53 A T H X S+ 0 0 5 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.922 112.6 49.6 -65.9 -42.0 46.0 53.1 12.1 53 54 A M H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 3,-0.3 0.935 112.2 46.1 -65.6 -47.8 44.5 51.7 8.8 54 55 A Y H ><5S+ 0 0 3 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.901 111.2 53.5 -63.1 -38.0 46.8 48.7 8.7 55 56 A S H 3<5S+ 0 0 22 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.832 109.8 47.1 -69.0 -28.0 46.0 48.0 12.4 56 57 A A T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.225 116.3-113.6 -94.9 10.8 42.3 48.0 11.7 57 58 A D T < 5 + 0 0 20 -3,-1.5 -3,-0.2 1,-0.2 2,-0.2 0.843 67.1 147.6 61.1 38.1 42.6 45.7 8.6 58 59 A G < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.1 3,-0.1 -0.585 49.3-156.2-101.4 169.8 41.5 48.5 6.3 59 60 A I S S+ 0 0 32 1,-0.3 17,-2.8 -2,-0.2 2,-0.3 0.528 81.6 23.4-116.7 -17.1 42.3 49.4 2.7 60 61 A G E -A 75 0A 5 15,-0.3 2,-0.3 -7,-0.1 -1,-0.3 -0.986 58.1-175.8-147.1 156.6 41.4 53.1 2.8 61 62 A L E -A 74 0A 0 13,-2.3 13,-2.8 -2,-0.3 2,-0.4 -0.924 10.4-155.5-157.8 127.3 41.2 55.8 5.5 62 63 A A E > -A 73 0A 0 -2,-0.3 3,-1.8 11,-0.2 4,-0.4 -0.849 30.3-116.5-102.3 142.6 40.0 59.4 5.2 63 64 A A G > >S+ 0 0 0 9,-2.7 5,-2.3 -2,-0.4 3,-1.9 0.821 110.2 61.3 -53.1 -40.4 41.2 62.0 7.8 64 65 A P G > 5S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.817 92.7 67.5 -59.3 -25.6 37.8 62.7 9.3 65 66 A Q G < 5S+ 0 0 1 -3,-1.8 -44,-2.0 1,-0.3 -2,-0.2 0.721 105.7 41.7 -64.4 -22.9 37.5 59.1 10.3 66 67 A V G < 5S- 0 0 12 -3,-1.9 -47,-0.3 -4,-0.4 -1,-0.3 0.066 128.1 -97.1-110.1 21.3 40.3 59.7 12.8 67 68 A G T < 5S+ 0 0 42 -3,-1.8 2,-0.6 1,-0.2 -2,-0.1 0.621 83.5 131.7 78.1 15.6 39.0 63.1 13.9 68 69 A I < - 0 0 34 -5,-2.3 2,-1.7 -6,-0.2 -1,-0.2 -0.892 51.1-145.7-107.5 118.3 41.3 65.1 11.6 69 70 A N + 0 0 75 -2,-0.6 2,-0.3 -5,-0.1 86,-0.0 -0.601 56.3 112.8 -88.6 81.8 39.5 67.8 9.6 70 71 A K S S- 0 0 74 -2,-1.7 2,-2.1 2,-0.1 -7,-0.3 -0.982 75.9-114.4-150.9 143.3 41.5 67.7 6.4 71 72 A Q S S+ 0 0 45 -38,-2.2 20,-2.5 -2,-0.3 2,-0.4 -0.530 73.1 128.9 -73.2 76.2 41.0 66.7 2.8 72 73 A L E + B 0 90A 0 -2,-2.1 -9,-2.7 18,-0.2 2,-0.4 -0.988 32.6 177.5-143.7 123.5 43.5 63.8 3.1 73 74 A I E -AB 62 89A 0 16,-2.4 16,-2.7 -2,-0.4 2,-0.4 -0.985 11.5-162.4-127.4 140.9 43.0 60.1 2.1 74 75 A V E -AB 61 88A 0 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.3 -0.977 13.1-179.0-119.4 140.1 45.4 57.1 2.3 75 76 A I E +AB 60 87A 3 12,-2.6 12,-2.8 -2,-0.4 -15,-0.3 -0.998 13.3 168.5-135.3 137.2 44.7 53.9 0.3 76 77 A D + 0 0 6 -17,-2.8 -2,-0.0 -2,-0.3 -16,-0.0 -0.725 22.0 138.3-152.1 97.4 46.6 50.7 0.1 77 78 A L + 0 0 31 -2,-0.2 2,-0.2 147,-0.0 -1,-0.1 0.447 24.3 125.1-123.0 2.4 44.8 47.9 -1.6 78 79 A E + 0 0 41 1,-0.2 6,-0.1 7,-0.1 242,-0.0 -0.413 28.3 177.8 -71.1 131.3 47.3 46.1 -3.8 79 80 A L S S+ 0 0 15 241,-0.2 146,-0.2 -2,-0.2 -1,-0.2 0.779 73.3 50.3 -97.4 -36.8 47.5 42.4 -3.1 80 81 A E S S+ 0 0 93 240,-0.2 2,-1.4 1,-0.2 241,-0.1 0.978 108.1 47.8 -72.6 -59.7 50.0 41.2 -5.7 81 82 A D S > S- 0 0 102 1,-0.2 3,-1.9 239,-0.1 -1,-0.2 -0.697 77.1-169.2 -84.2 93.4 52.9 43.7 -5.1 82 83 A E T 3 S+ 0 0 65 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.840 81.6 40.2 -56.7 -38.2 52.9 43.3 -1.3 83 84 A Q T 3 S+ 0 0 126 -3,-0.1 -1,-0.3 -74,-0.0 -2,-0.1 0.144 80.6 138.0-101.4 17.7 55.3 46.2 -0.8 84 85 A A < - 0 0 16 -3,-1.9 -6,-0.1 1,-0.1 0, 0.0 -0.294 64.1 -95.9 -57.7 146.5 53.9 48.7 -3.4 85 86 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.336 40.0-109.4 -64.5 148.7 53.7 52.2 -2.1 86 87 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 -0.305 29.3-113.6 -70.9 155.4 50.4 53.5 -0.7 87 88 A L E -B 75 0A 35 -12,-2.8 -12,-2.6 43,-0.1 2,-0.5 -0.858 30.2-167.0 -90.8 124.4 48.3 56.0 -2.5 88 89 A V E -B 74 0A 1 -2,-0.5 2,-0.5 -14,-0.2 -14,-0.2 -0.976 0.7-167.4-115.2 121.1 48.1 59.4 -0.7 89 90 A L E -B 73 0A 0 -16,-2.7 -16,-2.4 -2,-0.5 2,-0.4 -0.941 4.3-175.6-111.0 121.3 45.5 61.9 -1.9 90 91 A I E S-BC 72 129A 0 39,-2.2 39,-2.4 -2,-0.5 -18,-0.2 -0.943 73.5 -10.9-117.9 131.0 45.7 65.5 -0.7 91 92 A N E S- 0 0 19 -20,-2.5 -1,-0.2 -2,-0.4 -19,-0.1 0.870 90.9-170.4 48.6 47.3 43.0 68.0 -1.7 92 93 A P E - 0 0 11 0, 0.0 2,-0.4 0, 0.0 36,-0.2 -0.234 14.1-163.3 -68.7 158.4 41.6 65.5 -4.3 93 94 A K E - C 0 127A 120 34,-2.5 34,-2.4 0, 0.0 2,-0.6 -0.990 20.1-130.5-139.8 127.0 38.9 66.4 -6.9 94 95 A I E - C 0 126A 61 -2,-0.4 32,-0.3 32,-0.2 3,-0.1 -0.691 22.1-174.9 -73.2 117.3 36.8 64.0 -8.9 95 96 A E E - 0 0 76 30,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.867 61.8 -35.3 -81.4 -38.8 37.2 65.2 -12.5 96 97 A R E - C 0 125A 141 29,-1.1 29,-2.7 2,-0.0 -1,-0.4 -0.960 50.2-132.9-170.7 164.6 34.7 62.7 -13.9 97 98 A T E + C 0 124A 60 -2,-0.3 2,-0.3 27,-0.2 27,-0.2 -0.856 26.1 175.7-120.7 165.1 33.3 59.2 -13.6 98 99 A A E + C 0 123A 29 25,-2.1 25,-2.2 -2,-0.3 24,-0.3 -0.907 32.0 52.0-158.1 177.6 32.7 56.7 -16.4 99 100 A G E S- 0 0 47 -2,-0.3 2,-0.1 23,-0.2 -2,-0.0 -0.195 88.4 -43.6 77.6-173.4 31.6 53.1 -17.2 100 101 A D E - 0 0 121 21,-0.1 22,-1.9 1,-0.1 2,-0.5 -0.381 62.0 -94.7 -83.3 166.4 28.5 51.4 -16.0 101 102 A L E - C 0 121A 105 20,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.740 45.5-167.7 -74.9 128.8 27.0 51.4 -12.5 102 103 A E E - C 0 120A 74 18,-2.6 18,-2.3 -2,-0.5 2,-0.5 -0.953 13.8-143.1-124.5 141.2 28.2 48.4 -10.6 103 104 A Q E + C 0 119A 119 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.913 31.7 158.2-106.7 125.6 26.9 47.0 -7.3 104 105 A C E - C 0 118A 36 14,-2.1 14,-2.5 -2,-0.5 2,-0.1 -0.992 44.1 -96.1-143.6 154.3 29.4 45.6 -4.9 105 106 A Q E - 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