==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUL-05 2AIE . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR K.J.SMITH,C.M.PETIT,K.AUBART,M.SMYTH,E.MCMANUS,J.JONES, . 194 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 17.0 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 . 2 1.0 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 . 17 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 1 0 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 1 1 0 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 . 0 1 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 P S > 0 0 90 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 111.2 42.3 7.2 -9.3 2 2 P A H > + 0 0 13 1,-0.2 4,-2.4 76,-0.2 5,-0.2 0.883 360.0 46.7 -49.7 -48.1 39.5 5.2 -7.7 3 3 P I H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 110.4 53.4 -66.6 -36.2 37.4 8.3 -6.9 4 4 P E H 4 S+ 0 0 104 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.2 38.8 -67.1 -40.2 37.9 9.8 -10.4 5 5 P R H >< S+ 0 0 113 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.882 114.8 52.6 -78.0 -37.1 36.7 6.6 -12.2 6 6 P I H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.823 108.5 51.5 -67.6 -30.3 33.9 5.8 -9.8 7 7 P V T 3< S+ 0 0 10 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.352 78.2 120.1 -90.7 6.8 32.4 9.3 -10.1 8 8 P K S X S- 0 0 130 -3,-1.1 3,-1.4 1,-0.1 -3,-0.0 -0.471 76.0-117.9 -66.9 143.6 32.3 9.3 -13.9 9 9 P A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.875 111.9 49.1 -51.7 -42.1 28.7 9.8 -15.0 10 10 P A T 3 S+ 0 0 96 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.628 87.7 108.0 -76.3 -12.8 28.6 6.5 -16.8 11 11 P H < - 0 0 44 -3,-1.4 2,-0.5 -6,-0.2 -5,-0.0 -0.473 48.6-165.6 -76.7 132.5 30.0 4.5 -13.9 12 12 P L - 0 0 98 -2,-0.3 2,-0.2 38,-0.0 -5,-0.1 -0.965 25.0-124.5-113.5 122.7 27.8 2.1 -11.9 13 13 P I + 0 0 5 -2,-0.5 2,-0.3 34,-0.2 64,-0.0 -0.518 43.9 162.1 -68.8 130.7 29.2 0.9 -8.6 14 14 P D >> - 0 0 51 -2,-0.2 3,-2.4 52,-0.0 4,-0.5 -0.818 57.2 -78.4-138.3 179.5 29.3 -2.9 -8.5 15 15 P M G >4 S+ 0 0 26 49,-0.4 3,-1.0 1,-0.3 50,-0.1 0.770 122.4 67.9 -54.1 -26.8 30.9 -5.6 -6.6 16 16 P C G 34 S+ 0 0 117 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.691 96.3 54.3 -68.0 -17.6 34.1 -5.2 -8.7 17 17 P D G <4 S+ 0 0 26 -3,-2.4 2,-0.6 2,-0.1 -1,-0.2 0.623 90.6 90.9 -88.1 -16.4 34.6 -1.7 -7.1 18 18 P I S << S- 0 0 6 -3,-1.0 59,-0.2 -4,-0.5 58,-0.1 -0.736 70.0-144.4 -89.1 117.8 34.5 -3.2 -3.6 19 19 P I - 0 0 25 57,-2.3 2,-0.2 -2,-0.6 3,-0.1 -0.331 14.5-141.8 -75.6 160.6 37.9 -4.2 -2.1 20 20 P R > - 0 0 83 1,-0.2 3,-1.6 -2,-0.1 6,-0.2 -0.631 36.0 -53.8-118.2 176.1 38.2 -7.3 0.2 21 21 P E T 3 S+ 0 0 63 103,-1.7 -1,-0.2 1,-0.2 104,-0.0 0.006 116.1 38.4 -46.0 152.4 40.2 -8.3 3.3 22 22 P G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -3,-0.1 5,-0.1 -0.114 79.8 121.0 94.8 -37.4 44.0 -7.9 3.1 23 23 P N X - 0 0 54 -3,-1.6 3,-2.0 1,-0.2 4,-0.3 -0.490 66.9-135.6 -63.8 117.8 43.8 -4.7 1.2 24 24 P P G > S+ 0 0 99 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.757 96.9 72.6 -44.6 -34.1 45.6 -2.2 3.5 25 25 P S G > S+ 0 0 26 1,-0.3 3,-1.5 2,-0.2 147,-0.1 0.830 86.9 61.2 -55.7 -36.0 42.9 0.4 2.9 26 26 P L G < S+ 0 0 3 -3,-2.0 -1,-0.3 1,-0.3 145,-0.1 0.649 109.5 43.1 -68.5 -12.5 40.4 -1.4 5.0 27 27 P R G < S+ 0 0 118 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.231 95.0 99.2-114.9 11.8 42.7 -1.0 8.0 28 28 P T S < S- 0 0 65 -3,-1.5 2,-0.6 -4,-0.2 144,-0.4 -0.800 78.5-115.7-101.6 141.0 43.7 2.7 7.3 29 29 P V - 0 0 96 -2,-0.4 142,-0.2 142,-0.2 141,-0.1 -0.642 38.0-126.5 -76.5 118.9 42.1 5.6 9.2 30 30 P A - 0 0 4 140,-1.9 2,-0.3 -2,-0.6 51,-0.2 -0.278 20.2-113.0 -67.1 149.2 40.2 7.6 6.5 31 31 P E B -a 81 0A 148 49,-2.1 51,-2.1 1,-0.1 72,-0.1 -0.599 29.0-109.9 -86.3 142.3 40.8 11.4 6.1 32 32 P E - 0 0 136 -2,-0.3 2,-0.3 49,-0.2 -1,-0.1 -0.330 31.1-124.6 -65.6 147.1 38.2 14.0 6.9 33 33 P V - 0 0 6 49,-0.3 2,-0.3 8,-0.0 4,-0.1 -0.661 22.9-133.2 -91.5 153.1 36.7 15.8 3.9 34 34 P T - 0 0 106 -2,-0.3 4,-0.1 2,-0.1 69,-0.0 -0.747 30.0 -82.4-106.4 156.6 36.8 19.6 3.8 35 35 P F S S+ 0 0 73 -2,-0.3 2,-0.2 2,-0.1 112,-0.0 -0.881 106.1 44.3-112.0 142.0 34.1 22.1 3.0 36 36 P P S S- 0 0 122 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.468 93.2-134.9 -68.0 154.1 33.0 23.1 0.5 37 37 P L - 0 0 18 109,-0.4 2,-0.1 -2,-0.2 -2,-0.1 -0.409 16.3-115.0 -74.6 154.5 33.0 19.6 -1.0 38 38 P S > - 0 0 54 -4,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.449 29.4-108.6 -81.4 164.9 34.3 19.0 -4.5 39 39 P D H > S+ 0 0 126 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.904 121.4 55.5 -61.0 -39.6 31.8 17.9 -7.1 40 40 P Q H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.876 104.6 51.8 -61.6 -38.0 33.5 14.5 -7.1 41 41 P E H > S+ 0 0 16 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.861 113.0 45.2 -66.9 -35.2 33.0 14.1 -3.3 42 42 P I H X S+ 0 0 37 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.932 114.0 48.6 -71.6 -47.2 29.3 14.9 -3.7 43 43 P I H X S+ 0 0 53 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.893 106.7 57.2 -60.0 -41.2 29.0 12.5 -6.7 44 44 P L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 106.6 48.5 -57.9 -44.1 30.8 9.8 -4.8 45 45 P G H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.909 112.3 48.9 -62.7 -40.5 28.2 9.9 -2.0 46 46 P E H X S+ 0 0 86 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.887 110.2 50.9 -66.1 -38.9 25.4 9.8 -4.6 47 47 P K H X S+ 0 0 34 -4,-2.8 4,-1.9 1,-0.2 -34,-0.2 0.873 108.8 52.8 -64.8 -38.8 27.0 6.8 -6.4 48 48 P M H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.908 110.2 46.0 -64.4 -43.0 27.3 5.0 -3.0 49 49 P M H X S+ 0 0 8 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.891 109.9 55.3 -67.8 -37.5 23.6 5.5 -2.2 50 50 P Q H X S+ 0 0 88 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.888 105.5 53.1 -61.5 -38.6 22.7 4.4 -5.8 51 51 P F H X S+ 0 0 2 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.948 108.4 49.0 -61.2 -49.3 24.6 1.2 -5.2 52 52 P L H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 17,-0.3 0.893 111.9 48.2 -58.8 -41.7 22.7 0.4 -2.0 53 53 P K H < S+ 0 0 66 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.876 113.5 48.3 -67.5 -36.0 19.3 1.1 -3.7 54 54 P H H >< S+ 0 0 27 -4,-2.2 3,-2.0 1,-0.2 7,-0.5 0.936 108.4 53.4 -67.2 -46.7 20.4 -1.2 -6.6 55 55 P S H 3< S+ 0 0 7 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.710 108.4 51.4 -61.6 -22.1 21.6 -3.9 -4.2 56 56 P Q T 3< S+ 0 0 55 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.351 91.6 91.9 -96.9 4.1 18.2 -3.9 -2.6 57 57 P D <> - 0 0 59 -3,-2.0 4,-3.8 1,-0.2 5,-0.4 -0.894 68.6-148.4-103.5 118.2 16.3 -4.2 -5.9 58 58 P P H > S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.932 96.6 36.1 -47.3 -60.1 15.6 -7.8 -6.9 59 59 P V H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.958 123.1 42.9 -62.3 -53.0 15.8 -7.3 -10.7 60 60 P M H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 113.4 51.8 -60.6 -46.8 18.6 -4.8 -10.6 61 61 P A H X>S+ 0 0 16 -4,-3.8 5,-2.2 -7,-0.5 4,-0.9 0.876 112.4 48.1 -57.6 -38.1 20.6 -6.7 -7.9 62 62 P E H <5S+ 0 0 159 -4,-1.9 3,-0.4 -5,-0.4 -2,-0.2 0.942 111.7 47.7 -67.7 -49.1 20.2 -9.8 -10.2 63 63 P K H <5S+ 0 0 172 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 120.2 38.4 -59.1 -42.8 21.3 -8.0 -13.4 64 64 P M H <5S- 0 0 42 -4,-2.8 -49,-0.4 -5,-0.2 -1,-0.2 0.540 104.9-127.5 -87.8 -7.0 24.3 -6.4 -11.7 65 65 P G T <5 + 0 0 55 -4,-0.9 2,-0.2 -3,-0.4 -3,-0.2 0.934 50.1 166.4 60.5 47.3 25.2 -9.5 -9.5 66 66 P L < - 0 0 20 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.2 -0.652 39.0-124.2 -98.6 152.1 25.2 -7.4 -6.3 67 67 P R - 0 0 97 -2,-0.2 -12,-0.1 1,-0.1 56,-0.1 -0.800 39.0-108.0 -91.9 130.8 25.2 -8.6 -2.7 68 68 P G + 0 0 58 -2,-0.5 2,-0.3 -12,-0.1 -12,-0.1 -0.207 51.2 160.3 -57.8 148.0 22.3 -7.0 -0.7 69 69 P G - 0 0 18 -17,-0.3 3,-0.1 1,-0.1 -14,-0.0 -0.993 44.9-155.6-167.3 161.0 23.2 -4.4 1.8 70 70 P V S S+ 0 0 30 -2,-0.3 17,-2.8 1,-0.2 2,-0.3 0.276 82.2 40.0-122.3 5.5 22.2 -1.4 4.0 71 71 P G E +B 86 0B 7 15,-0.2 2,-0.3 -19,-0.0 15,-0.2 -0.997 50.4 176.4-157.1 151.3 25.5 0.3 4.3 72 72 P L E -B 85 0B 0 13,-2.1 13,-2.7 -2,-0.3 2,-0.4 -0.961 11.2-157.9-156.4 137.7 28.7 1.3 2.5 73 73 P A E > -B 84 0B 0 -2,-0.3 3,-2.0 11,-0.2 4,-0.3 -0.927 28.8-120.1-119.7 144.6 31.8 3.3 3.4 74 74 P A G > >S+ 0 0 0 9,-2.8 3,-2.4 -2,-0.4 5,-1.9 0.826 109.3 65.3 -51.2 -38.4 34.2 5.0 1.0 75 75 P P G > 5S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 0.798 91.9 64.2 -57.5 -26.0 37.2 2.9 2.2 76 76 P Q G < 5S+ 0 0 2 -3,-2.0 -57,-2.3 1,-0.3 -2,-0.2 0.600 102.0 49.4 -71.7 -11.2 35.5 -0.2 0.8 77 77 P L G < 5S- 0 0 3 -3,-2.4 -1,-0.3 -4,-0.3 -3,-0.1 0.150 127.6-103.3-109.2 13.5 35.9 1.4 -2.7 78 78 P D T < 5S+ 0 0 66 -3,-1.6 2,-0.6 1,-0.2 -76,-0.2 0.780 84.9 129.0 67.5 31.6 39.5 2.0 -1.9 79 79 P I < - 0 0 10 -5,-1.9 2,-2.5 -6,-0.1 -2,-0.2 -0.925 52.1-150.5-119.7 103.8 38.8 5.7 -1.2 80 80 P S + 0 0 51 -2,-0.6 -49,-2.1 -5,-0.1 2,-0.3 -0.341 54.2 119.1 -76.0 63.4 40.3 6.8 2.1 81 81 P K B S-a 31 0A 58 -2,-2.5 2,-2.2 -51,-0.2 -7,-0.2 -0.952 74.2-112.1-127.0 146.8 37.7 9.6 2.8 82 82 P R S S+ 0 0 32 -51,-2.1 21,-2.8 -2,-0.3 2,-0.4 -0.498 71.7 125.9 -80.8 75.1 35.3 9.8 5.8 83 83 P I E + C 0 102B 0 -2,-2.2 -9,-2.8 19,-0.2 2,-0.3 -1.000 30.3 171.9-134.7 132.2 32.1 9.3 3.7 84 84 P I E -BC 73 101B 0 17,-2.1 17,-2.8 -2,-0.4 2,-0.4 -0.955 17.9-152.3-139.4 158.4 29.5 6.6 4.4 85 85 P A E -BC 72 100B 0 -13,-2.7 -13,-2.1 -2,-0.3 2,-0.4 -0.993 12.0-172.2-131.5 137.6 26.0 5.8 3.0 86 86 P V E +BC 71 99B 0 13,-2.6 13,-2.4 -2,-0.4 2,-0.3 -0.996 8.7 173.4-134.0 139.4 23.2 4.0 4.9 87 87 P L E + C 0 98B 0 -17,-2.8 11,-0.2 -2,-0.4 -18,-0.1 -0.790 1.5 177.0-149.4 100.2 19.9 2.7 3.7 88 88 P V E - 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