==== 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 2AIA . 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, . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 66.1 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 17.2 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 . 1 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 . 1 0.5 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 . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 18.2 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 1 A S > 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 123.6 7.4 42.5 15.9 2 2 A A H > + 0 0 13 1,-0.2 4,-2.5 76,-0.2 5,-0.2 0.939 360.0 45.6 -56.5 -50.7 5.3 39.8 14.4 3 3 A I H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.856 111.4 56.1 -62.9 -33.0 8.3 37.6 13.6 4 4 A E H 4 S+ 0 0 110 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.934 113.6 36.2 -65.7 -47.8 9.6 38.3 17.1 5 5 A R H >< S+ 0 0 119 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.854 116.6 54.1 -76.1 -32.0 6.5 37.1 19.0 6 6 A I H 3< S+ 0 0 3 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.840 106.3 52.1 -70.4 -32.2 5.8 34.3 16.6 7 7 A S T 3< S+ 0 0 9 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.458 77.8 120.9 -85.2 0.2 9.3 32.8 16.9 8 8 A K S X S- 0 0 128 -3,-0.8 3,-1.5 -4,-0.2 -3,-0.0 -0.408 75.1-120.5 -61.5 139.0 9.2 32.6 20.7 9 9 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.0 -3,-0.0 0.862 111.6 49.3 -50.0 -41.2 9.6 29.0 21.7 10 10 A A T 3 S+ 0 0 95 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.639 87.9 108.4 -76.0 -15.5 6.3 28.9 23.5 11 11 A H < - 0 0 41 -3,-1.5 2,-0.5 -6,-0.2 -5,-0.0 -0.457 48.2-166.6 -74.0 130.7 4.3 30.4 20.6 12 12 A L - 0 0 96 -2,-0.3 2,-0.1 38,-0.0 -5,-0.1 -0.967 25.2-125.3-113.3 120.6 1.9 28.3 18.7 13 13 A I + 0 0 4 -2,-0.5 2,-0.2 34,-0.2 64,-0.0 -0.448 42.0 162.8 -65.7 134.8 0.8 29.8 15.4 14 14 A D > - 0 0 49 -2,-0.1 3,-2.3 52,-0.0 4,-0.5 -0.822 56.0 -77.1-141.0-177.2 -3.0 30.0 15.2 15 15 A M G > S+ 0 0 24 49,-0.4 3,-1.0 1,-0.3 50,-0.1 0.765 122.4 66.5 -57.3 -26.2 -5.7 31.8 13.2 16 16 A C G 3 S+ 0 0 121 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.616 97.7 54.5 -71.6 -10.9 -5.2 34.9 15.2 17 17 A D G < S+ 0 0 23 -3,-2.3 2,-0.6 2,-0.1 -1,-0.2 0.577 91.3 89.5 -94.0 -14.8 -1.7 35.3 13.7 18 18 A I S < S- 0 0 6 -3,-1.0 59,-0.2 -4,-0.5 58,-0.1 -0.777 70.0-145.4 -92.3 116.0 -3.1 35.1 10.2 19 19 A I - 0 0 26 57,-2.5 2,-0.2 -2,-0.6 3,-0.1 -0.383 16.2-146.8 -75.7 155.8 -4.1 38.5 8.6 20 20 A R > - 0 0 77 1,-0.2 3,-1.8 -2,-0.1 6,-0.2 -0.568 35.6 -49.9-117.0-179.8 -7.0 38.7 6.2 21 21 A E T 3 S+ 0 0 60 101,-1.8 -1,-0.2 1,-0.2 102,-0.0 -0.034 117.5 40.7 -46.6 150.5 -8.1 40.7 3.2 22 22 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 -3,-0.1 5,-0.0 -0.101 81.3 116.9 98.2 -36.0 -7.8 44.5 3.4 23 23 A N X - 0 0 54 -3,-1.8 3,-1.9 1,-0.2 4,-0.3 -0.565 65.7-140.6 -70.1 115.8 -4.4 44.3 5.2 24 24 A P G > S+ 0 0 95 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.745 93.2 75.4 -47.3 -30.3 -1.9 45.9 2.8 25 25 A S G > S+ 0 0 30 1,-0.3 3,-1.3 2,-0.2 145,-0.1 0.832 87.7 57.7 -55.5 -36.6 0.7 43.3 3.7 26 26 A L G < S+ 0 0 3 -3,-1.9 -1,-0.3 1,-0.3 143,-0.1 0.627 109.2 46.2 -71.5 -12.9 -1.1 40.7 1.5 27 27 A R G < S+ 0 0 120 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.226 96.2 95.5-111.7 11.9 -0.8 42.9 -1.5 28 28 A T S < S- 0 0 67 -3,-1.3 2,-0.7 -4,-0.2 142,-0.3 -0.726 80.8-111.4-102.7 152.1 2.9 43.9 -0.9 29 29 A V - 0 0 93 -2,-0.3 140,-0.2 140,-0.2 139,-0.1 -0.750 38.2-126.1 -86.3 118.2 5.9 42.2 -2.5 30 30 A A - 0 0 4 138,-1.9 51,-0.2 -2,-0.7 2,-0.2 -0.255 20.1-113.1 -64.8 146.9 7.9 40.3 0.1 31 31 A E B -a 81 0A 148 49,-2.0 51,-2.3 1,-0.1 70,-0.1 -0.568 30.3-112.9 -81.6 141.3 11.6 40.9 0.7 32 32 A E - 0 0 133 -2,-0.2 2,-0.3 49,-0.2 -1,-0.1 -0.362 30.7-121.1 -68.9 151.4 14.1 38.2 -0.1 33 33 A V - 0 0 5 49,-0.3 2,-0.3 -2,-0.0 4,-0.1 -0.660 23.0-133.7 -92.4 152.9 15.9 36.7 2.9 34 34 A T - 0 0 107 -2,-0.3 4,-0.2 2,-0.2 67,-0.0 -0.742 30.8 -84.8-104.9 156.6 19.7 36.8 3.0 35 35 A F S S+ 0 0 74 -2,-0.3 2,-0.1 2,-0.1 110,-0.0 -0.891 105.7 46.7-112.8 142.5 22.0 34.0 3.9 36 36 A P S S- 0 0 123 0, 0.0 -2,-0.2 0, 0.0 2,-0.1 0.468 93.0-134.9 -68.6 152.8 23.0 32.9 6.4 37 37 A L - 0 0 18 107,-0.4 2,-0.1 -2,-0.1 -2,-0.1 -0.400 16.5-115.4 -73.4 151.9 19.5 33.0 7.9 38 38 A S > - 0 0 52 -4,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.456 28.9-109.1 -80.2 163.4 19.0 34.3 11.3 39 39 A D H > S+ 0 0 130 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.896 121.0 56.0 -60.6 -38.9 17.7 31.9 14.0 40 40 A Q H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.890 104.3 52.0 -62.2 -37.8 14.4 33.6 13.9 41 41 A E H > S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.861 112.6 45.4 -67.0 -34.4 14.0 33.1 10.2 42 42 A I H X S+ 0 0 38 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.936 114.0 48.0 -72.5 -47.0 14.7 29.3 10.6 43 43 A I H X S+ 0 0 57 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.902 107.8 56.8 -60.0 -42.2 12.4 29.0 13.6 44 44 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.925 106.4 48.6 -56.1 -46.4 9.7 30.9 11.6 45 45 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.913 113.6 47.8 -60.5 -40.9 9.8 28.4 8.8 46 46 A E H X S+ 0 0 86 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.875 110.6 50.7 -67.7 -38.2 9.6 25.6 11.4 47 47 A K H X S+ 0 0 32 -4,-3.1 4,-2.3 2,-0.2 -34,-0.2 0.904 109.4 52.4 -65.1 -41.1 6.6 27.3 13.2 48 48 A M H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -2,-0.2 0.915 110.9 45.4 -60.9 -45.4 4.8 27.6 9.9 49 49 A M H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.879 109.9 55.6 -66.3 -37.9 5.2 23.9 9.1 50 50 A Q H X S+ 0 0 85 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.918 106.0 52.5 -59.6 -43.2 4.1 23.1 12.6 51 51 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.905 107.2 51.2 -59.3 -44.5 1.0 25.1 12.0 52 52 A L H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 17,-0.4 0.910 111.3 47.4 -62.1 -41.7 0.2 23.2 8.8 53 53 A K H < S+ 0 0 77 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.904 113.2 48.9 -66.0 -39.4 0.6 19.8 10.6 54 54 A H H >< S+ 0 0 29 -4,-2.6 3,-1.3 1,-0.2 7,-0.3 0.888 108.6 53.7 -65.8 -38.5 -1.6 21.1 13.4 55 55 A S H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.7 50.0 -68.5 -21.9 -4.2 22.3 10.9 56 56 A Q T 3< S+ 0 0 58 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.303 91.1 92.1 -98.8 7.5 -4.3 18.8 9.4 57 57 A D <> - 0 0 61 -3,-1.3 4,-3.8 1,-0.2 5,-0.4 -0.913 69.5-146.4-105.8 115.8 -4.8 17.1 12.7 58 58 A P H > S+ 0 0 109 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.913 98.2 35.7 -41.1 -65.0 -8.4 16.5 13.6 59 59 A V H > S+ 0 0 69 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 120.9 47.4 -59.8 -47.1 -8.0 16.9 17.3 60 60 A M H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 112.4 48.6 -62.8 -47.4 -5.3 19.6 17.1 61 61 A A H X>S+ 0 0 14 -4,-3.8 5,-2.8 -7,-0.3 4,-0.7 0.875 112.9 49.1 -61.1 -37.9 -7.3 21.7 14.6 62 62 A E H ><5S+ 0 0 148 -4,-2.0 3,-1.1 -5,-0.4 -2,-0.2 0.973 111.2 48.8 -64.8 -54.9 -10.4 21.4 16.7 63 63 A K H 3<5S+ 0 0 149 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.869 119.9 36.9 -51.8 -45.6 -8.6 22.5 19.9 64 64 A M H 3<5S- 0 0 43 -4,-2.4 -49,-0.4 -5,-0.2 -1,-0.3 0.453 107.1-121.1 -91.1 -0.8 -7.0 25.5 18.2 65 65 A G T <<5 + 0 0 52 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.939 54.5 168.4 60.2 47.2 -9.9 26.4 16.0 66 66 A L < - 0 0 18 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.708 36.6-132.4 -98.6 144.7 -7.7 26.0 12.9 67 67 A R - 0 0 93 -2,-0.3 2,-0.1 1,-0.1 -12,-0.1 -0.749 38.6-104.3 -89.6 138.0 -8.7 25.9 9.3 68 68 A G - 0 0 61 -2,-0.4 2,-0.3 -12,-0.1 -12,-0.1 -0.420 48.1-179.0 -64.2 134.7 -7.1 23.0 7.4 69 69 A G - 0 0 11 -17,-0.4 3,-0.1 -18,-0.1 -14,-0.1 -0.988 34.7-168.9-140.4 149.7 -4.3 24.2 5.2 70 70 A V S S+ 0 0 38 -2,-0.3 17,-2.8 1,-0.2 2,-0.3 0.341 81.7 20.3-112.2 -0.3 -1.8 22.7 2.8 71 71 A G E -B 86 0B 6 15,-0.2 2,-0.3 92,-0.0 15,-0.2 -0.986 56.8-172.2-163.3 158.9 0.4 25.8 2.5 72 72 A L E -B 85 0B 0 13,-2.2 13,-2.9 -2,-0.3 2,-0.4 -0.966 8.9-154.7-158.1 140.7 1.3 29.0 4.2 73 73 A A E > -B 84 0B 0 -2,-0.3 3,-1.9 11,-0.2 4,-0.4 -0.942 27.6-121.0-120.3 143.0 3.3 32.1 3.3 74 74 A A G > >S+ 0 0 0 9,-2.6 3,-2.4 -2,-0.4 5,-1.9 0.822 108.4 66.1 -50.3 -38.6 5.0 34.5 5.8 75 75 A P G > 5S+ 0 0 1 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.826 92.0 63.5 -55.8 -28.6 3.1 37.5 4.5 76 76 A Q G < 5S+ 0 0 2 -3,-1.9 -57,-2.5 1,-0.3 -2,-0.2 0.689 101.6 50.7 -67.5 -18.0 -0.1 35.9 5.8 77 77 A L G < 5S- 0 0 2 -3,-2.4 -1,-0.3 -4,-0.4 -3,-0.1 0.126 127.6-103.8-103.4 18.1 1.5 36.2 9.3 78 78 A D T < 5S+ 0 0 68 -3,-1.8 2,-0.6 1,-0.2 -76,-0.2 0.775 85.9 127.4 63.5 30.8 2.2 39.9 8.5 79 79 A I < - 0 0 10 -5,-1.9 2,-2.3 -6,-0.1 -2,-0.2 -0.947 53.3-150.2-119.8 107.5 5.9 39.1 7.9 80 80 A S + 0 0 49 -2,-0.6 -49,-2.0 -5,-0.1 2,-0.4 -0.406 53.9 120.4 -80.1 66.5 7.0 40.5 4.5 81 81 A K B S-a 31 0A 55 -2,-2.3 2,-2.2 -51,-0.2 -7,-0.2 -0.970 73.1-113.6-129.4 144.3 9.7 37.8 3.9 82 82 A R S S+ 0 0 33 -51,-2.3 19,-2.9 -2,-0.4 2,-0.4 -0.486 71.4 125.3 -79.7 74.7 9.9 35.4 1.0 83 83 A I E + C 0 100B 0 -2,-2.2 -9,-2.6 17,-0.2 2,-0.3 -1.000 31.3 173.4-134.2 131.4 9.4 32.2 3.1 84 84 A I E -BC 73 99B 0 15,-2.4 15,-2.9 -2,-0.4 2,-0.4 -0.956 18.0-152.1-138.5 157.6 6.7 29.6 2.5 85 85 A A E -BC 72 98B 0 -13,-2.9 -13,-2.2 -2,-0.3 2,-0.4 -0.994 11.5-170.2-130.0 136.8 5.8 26.2 3.8 86 86 A V E +BC 71 97B 0 11,-2.8 11,-2.4 -2,-0.4 2,-0.3 -0.994 10.8 173.3-131.3 135.6 4.0 23.5 1.9 87 87 A L E + C 0 96B 0 -17,-2.8 9,-0.2 -2,-0.4 -2,-0.0 -0.800 7.4 179.6-143.7 95.6 2.5 20.3 3.2 88 88 A V E - C 0 95B 0 7,-2.9 6,-3.3 -2,-0.3 7,-1.6 -0.885 21.7-136.2-104.9 118.2 0.5 18.2 0.7 89 89 A P E C 0 93B 56 0, 0.0 4,-0.2 0, 0.0 -2,-0.0 -0.329 360.0 360.0 -68.8 149.1 -1.0 14.9 1.9 90 90 A N 0 0 143 2,-0.7 4,-0.0 4,-0.1 5,-0.0 -0.300 360.0 360.0 -92.3 360.0 -0.8 11.8 -0.2 91 ! 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 92 101 A A 0 0 119 0, 0.0 -2,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -70.6 2.4 10.3 4.5 93 102 A Y E -C 89 0B 84 -4,-0.2 3,-0.2 1,-0.1 -6,-0.0 -0.999 360.0-158.2-138.5 134.9 3.0 13.5 2.5 94 103 A D E S+ 0 0 73 -6,-3.3 2,-0.3 -2,-0.4 -1,-0.1 0.841 93.1 7.3 -75.6 -34.6 3.2 14.1 -1.3 95 104 A L E +C 88 0B 25 -7,-1.6 -7,-2.9 2,-0.0 2,-0.4 -0.941 62.7 173.3-153.1 127.0 5.2 17.2 -0.6 96 105 A E E +C 87 0B 96 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.964 25.0 141.9-134.5 114.0 6.7 18.6 2.6 97 106 A A E -C 86 0B 8 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.6 -0.981 41.3-154.1-158.6 143.2 8.9 21.7 2.3 98 107 A I E -C 85 0B 33 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.984 33.7-162.0-112.7 117.5 9.9 24.9 4.0 99 108 A M E -C 84 0B 0 -15,-2.9 -15,-2.4 -2,-0.6 2,-0.4 -0.903 14.4-160.7-113.4 132.3 11.2 27.2 1.1 100 109 A Y E S-CD 83 142B 1 42,-2.4 42,-2.5 -2,-0.5 -17,-0.2 -0.902 80.3 -7.9-108.2 132.2 13.3 30.3 1.3 101 110 A N E S- 0 0 22 -19,-2.9 -1,-0.2 -2,-0.4 -18,-0.1 0.903 85.1-169.0 49.7 49.7 13.3 32.7 -1.7 102 111 A P E - 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