==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-JUL-11 3SVJ . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR N.CAMPOBASSO,P.WARD . 193 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 63.2 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 17.1 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 1 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 2 P S > 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 165.1 42.9 7.5 -9.1 2 3 P A H > + 0 0 19 76,-0.3 4,-3.0 1,-0.2 5,-0.2 0.926 360.0 50.8 -62.8 -43.7 39.9 5.5 -7.8 3 4 P I H > S+ 0 0 22 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 109.8 49.7 -63.5 -38.6 37.8 8.6 -7.2 4 5 P E H 4 S+ 0 0 101 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.926 115.4 44.1 -65.4 -41.4 38.5 9.9 -10.7 5 6 P R H >< S+ 0 0 112 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.928 115.2 46.9 -68.1 -45.8 37.5 6.6 -12.2 6 7 P I H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.796 107.3 56.2 -70.1 -29.3 34.4 6.0 -10.0 7 8 P T T 3< S+ 0 0 11 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.394 74.7 121.4 -90.5 4.5 33.0 9.5 -10.4 8 9 P K S X S- 0 0 137 -3,-1.0 3,-1.8 -4,-0.3 -3,-0.0 -0.448 73.5-122.5 -60.3 139.2 32.8 9.4 -14.3 9 10 P A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.889 111.2 53.5 -50.9 -41.0 29.2 9.9 -15.4 10 11 P A T 3 S+ 0 0 97 2,-0.0 2,-0.5 -3,-0.0 -1,-0.3 0.600 89.5 99.3 -73.7 -10.7 29.3 6.6 -17.2 11 12 P H < - 0 0 42 -3,-1.8 2,-0.5 -6,-0.1 -5,-0.0 -0.653 48.7-170.1 -91.8 126.6 30.5 4.5 -14.2 12 13 P L - 0 0 95 -2,-0.5 2,-0.1 38,-0.0 -5,-0.1 -0.948 31.8-118.9-104.5 129.1 28.2 2.5 -12.0 13 14 P I + 0 0 4 -2,-0.5 2,-0.2 34,-0.2 64,-0.0 -0.432 45.6 163.9 -64.6 133.6 29.8 1.2 -8.8 14 15 P D > - 0 0 46 -2,-0.1 3,-1.9 52,-0.0 4,-0.4 -0.782 55.2 -75.8-137.6-171.9 29.9 -2.6 -8.7 15 16 P M G > S+ 0 0 27 49,-0.4 3,-1.3 1,-0.3 50,-0.1 0.784 121.6 67.1 -62.1 -26.1 31.6 -5.4 -6.8 16 17 P N G 3 S+ 0 0 151 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 0.691 97.0 54.9 -68.8 -17.1 34.8 -4.9 -8.8 17 18 P D G < S+ 0 0 10 -3,-1.9 2,-0.6 2,-0.1 -1,-0.3 0.590 89.2 93.0 -85.0 -12.4 35.3 -1.4 -7.2 18 19 P I S < S- 0 0 5 -3,-1.3 59,-0.2 -4,-0.4 58,-0.1 -0.742 70.3-143.2 -93.4 116.8 35.1 -2.9 -3.7 19 20 P I - 0 0 24 57,-2.4 2,-0.2 -2,-0.6 3,-0.1 -0.384 17.8-136.8 -76.6 156.5 38.5 -3.8 -2.2 20 21 P R > - 0 0 75 1,-0.2 3,-2.0 -2,-0.1 6,-0.2 -0.602 33.8 -58.7-113.9 169.8 38.9 -6.9 -0.0 21 22 P E T 3 S+ 0 0 62 102,-2.2 -1,-0.2 1,-0.2 104,-0.0 -0.100 118.1 38.4 -40.0 136.2 40.6 -8.0 3.2 22 23 P G T 3 S+ 0 0 79 1,-0.4 -1,-0.2 -3,-0.1 5,-0.0 0.083 79.2 123.3 103.5 -23.5 44.3 -7.5 3.1 23 24 P N X - 0 0 50 -3,-2.0 3,-1.8 1,-0.2 4,-0.4 -0.630 62.6-138.4 -73.5 122.0 44.2 -4.2 1.3 24 25 P P G > S+ 0 0 94 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.739 96.3 72.1 -54.1 -26.8 46.1 -1.7 3.5 25 26 P T G > S+ 0 0 25 1,-0.3 3,-1.1 2,-0.2 146,-0.1 0.832 89.8 58.6 -62.3 -32.7 43.5 0.9 2.8 26 27 P L G < S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.2 144,-0.1 0.695 109.4 45.6 -68.2 -17.8 40.9 -0.9 4.9 27 28 P R G < S+ 0 0 115 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.324 95.6 95.6-108.2 5.5 43.3 -0.5 7.9 28 29 P T S < S- 0 0 66 -3,-1.1 2,-0.5 -4,-0.3 143,-0.4 -0.717 80.2-114.5 -96.1 146.0 44.2 3.1 7.3 29 30 P V - 0 0 91 -2,-0.3 141,-0.2 141,-0.2 140,-0.1 -0.716 38.9-125.5 -78.3 122.9 42.5 6.1 9.0 30 31 P A - 0 0 5 139,-2.3 2,-0.3 -2,-0.5 51,-0.2 -0.302 21.0-110.1 -74.0 152.9 40.7 8.1 6.4 31 32 P E B -a 81 0A 146 49,-2.2 51,-2.1 1,-0.1 71,-0.1 -0.599 29.9-110.7 -87.0 138.8 41.2 11.8 5.8 32 33 P E - 0 0 139 -2,-0.3 2,-0.3 49,-0.2 -1,-0.1 -0.308 31.8-123.5 -58.1 143.6 38.6 14.4 6.7 33 34 P V - 0 0 7 49,-0.3 2,-0.3 8,-0.0 4,-0.1 -0.663 22.4-135.1 -85.1 150.6 37.0 16.2 3.8 34 35 P T - 0 0 107 -2,-0.3 4,-0.2 2,-0.1 68,-0.0 -0.761 30.0 -84.8-104.9 154.4 37.2 20.0 3.6 35 36 P F S S+ 0 0 74 -2,-0.3 2,-0.1 2,-0.1 111,-0.1 -0.893 105.2 45.2-111.6 138.7 34.4 22.4 2.7 36 37 P P S S- 0 0 122 0, 0.0 -2,-0.1 0, 0.0 110,-0.1 0.423 92.9-135.2 -74.7 153.9 33.4 23.3 0.2 37 38 P L - 0 0 18 108,-0.4 2,-0.1 -2,-0.1 -2,-0.1 -0.375 15.8-112.9 -71.5 151.5 33.4 19.9 -1.3 38 39 P S > - 0 0 53 -4,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.435 28.8-110.6 -72.9 160.9 34.7 19.2 -4.8 39 40 P D H > S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.915 121.3 56.1 -56.2 -41.1 32.2 18.1 -7.4 40 41 P Q H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 104.1 51.3 -60.0 -39.4 34.0 14.7 -7.3 41 42 P E H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 112.8 46.2 -67.2 -34.3 33.4 14.4 -3.6 42 43 P I H X S+ 0 0 35 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.942 113.3 48.4 -71.2 -47.7 29.7 15.1 -4.1 43 44 P I H X S+ 0 0 54 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.899 107.7 56.7 -58.7 -41.1 29.4 12.8 -7.0 44 45 P L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.935 106.6 48.1 -58.1 -48.0 31.2 10.0 -5.0 45 46 P G H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.920 113.0 49.2 -58.5 -42.5 28.6 10.2 -2.2 46 47 P E H X S+ 0 0 84 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.907 110.7 49.3 -64.2 -42.8 25.8 10.1 -4.8 47 48 P K H X S+ 0 0 32 -4,-2.9 4,-2.2 2,-0.2 -34,-0.2 0.861 109.3 53.4 -63.3 -36.5 27.4 7.1 -6.6 48 49 P M H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.914 109.7 46.8 -66.6 -42.1 27.8 5.3 -3.3 49 50 P M H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 110.1 53.8 -65.9 -39.1 24.1 5.8 -2.4 50 51 P Q H X S+ 0 0 88 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.888 105.5 54.5 -61.3 -39.5 23.2 4.6 -5.9 51 52 P F H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.940 107.9 49.0 -57.4 -48.8 25.2 1.4 -5.3 52 53 P L H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 17,-0.3 0.918 111.9 48.4 -59.9 -42.2 23.2 0.7 -2.1 53 54 P K H < S+ 0 0 62 -4,-2.3 3,-0.4 1,-0.2 4,-0.4 0.918 112.8 48.3 -64.9 -41.5 19.9 1.2 -3.9 54 55 P H H >< S+ 0 0 34 -4,-2.8 3,-1.0 1,-0.2 7,-0.5 0.886 108.8 53.8 -61.5 -39.5 21.0 -1.1 -6.8 55 56 P S H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.742 109.2 48.8 -71.3 -20.8 22.2 -3.7 -4.4 56 57 P Q T 3< S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.423 91.9 87.9 -98.9 -1.8 18.8 -3.7 -2.7 57 58 P D S <> S- 0 0 65 -3,-1.0 4,-3.4 -4,-0.4 5,-0.3 -0.887 70.3-151.4 -98.3 111.4 16.9 -4.0 -6.0 58 59 P P H > S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.868 93.8 46.2 -53.0 -41.5 16.6 -7.7 -6.8 59 60 P V H > S+ 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.932 118.1 40.0 -67.4 -48.2 16.5 -7.1 -10.5 60 61 P M H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 112.8 54.8 -70.5 -43.7 19.4 -4.7 -10.7 61 62 P A H X>S+ 0 0 13 -4,-3.4 5,-2.5 -7,-0.5 4,-1.1 0.898 110.2 48.0 -56.0 -41.1 21.5 -6.6 -8.1 62 63 P E H <5S+ 0 0 101 -4,-1.7 3,-0.4 -5,-0.3 -2,-0.2 0.938 112.8 47.6 -65.5 -45.7 21.1 -9.7 -10.3 63 64 P K H <5S+ 0 0 158 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.848 120.3 37.6 -62.8 -36.4 22.1 -7.9 -13.5 64 65 P M H <5S- 0 0 42 -4,-2.6 -49,-0.4 -10,-0.1 -1,-0.2 0.513 108.1-119.8 -96.7 -6.7 25.1 -6.2 -11.9 65 66 P G T <5 + 0 0 53 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.871 54.0 168.3 69.8 39.6 26.2 -9.2 -9.7 66 67 P L < - 0 0 20 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.624 36.2-139.7 -92.5 144.4 25.8 -7.3 -6.5 67 68 P R - 0 0 94 -2,-0.3 2,-0.1 1,-0.1 -12,-0.1 -0.791 41.0-102.9 -88.3 140.1 25.8 -8.5 -2.9 68 69 P G + 0 0 54 -2,-0.4 2,-0.3 -12,-0.1 -12,-0.1 -0.397 47.8 173.2 -69.7 139.2 23.2 -6.7 -0.9 69 70 P G - 0 0 12 -17,-0.3 3,-0.1 -18,-0.1 -14,-0.1 -0.977 35.2-165.3-143.1 157.3 24.3 -3.9 1.5 70 71 P V S S+ 0 0 56 -2,-0.3 17,-2.6 1,-0.2 2,-0.3 0.304 82.2 32.0-118.8 2.7 22.9 -1.2 3.8 71 72 P G E -B 86 0B 5 15,-0.2 2,-0.3 -19,-0.0 15,-0.2 -0.991 55.9-176.5-154.5 154.6 26.1 0.7 4.2 72 73 P L E -B 85 0B 0 13,-2.1 13,-2.7 -2,-0.3 2,-0.4 -0.975 9.5-157.0-151.9 138.0 29.3 1.6 2.3 73 74 P A E > -B 84 0B 0 -2,-0.3 3,-2.0 11,-0.2 4,-0.3 -0.931 27.2-122.0-118.3 144.4 32.4 3.6 3.3 74 75 P A G > >S+ 0 0 0 9,-2.8 3,-2.5 -2,-0.4 5,-2.0 0.836 109.0 64.0 -55.3 -36.8 34.7 5.3 0.8 75 76 P P G > 5S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.803 92.3 65.3 -58.9 -24.7 37.8 3.3 2.0 76 77 P Q G < 5S+ 0 0 3 -3,-2.0 -57,-2.4 1,-0.3 -2,-0.2 0.646 101.2 50.1 -68.5 -14.3 36.0 0.2 0.7 77 78 P L G < 5S- 0 0 1 -3,-2.5 -1,-0.3 -4,-0.3 -71,-0.1 0.109 128.0-102.5-103.7 16.6 36.4 1.8 -2.8 78 79 P D T < 5S+ 0 0 74 -3,-1.8 2,-0.6 1,-0.2 -76,-0.3 0.767 86.9 128.1 64.8 29.2 40.1 2.4 -2.1 79 80 P I < - 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