==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-10 3PMM . COMPND 2 MOLECULE: PUTATIVE CYTOPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. PNEUMONIA . AUTHOR K.TAN,C.HATZOS-SKINTGES,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTE . 381 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17290.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 15 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 44.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 0 0 0 1 1 0 2 0 1 1 3 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 N 0 0 217 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.5 124.8 50.7 22.9 2 0 A A - 0 0 104 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.328 360.0-135.9 -72.6 155.2 124.5 50.0 26.6 3 1 A X - 0 0 166 -2,-0.0 2,-0.6 2,-0.0 -1,-0.1 -0.781 9.6-124.1-114.3 155.2 121.5 51.4 28.6 4 2 A K + 0 0 175 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.887 40.3 178.6 -94.1 120.6 121.1 53.1 31.9 5 3 A V - 0 0 110 -2,-0.6 -2,-0.0 2,-0.0 0, 0.0 -0.984 23.4-139.7-133.5 131.6 118.6 51.1 33.9 6 4 A W - 0 0 190 -2,-0.4 2,-0.4 1,-0.0 -2,-0.0 -0.732 24.0-123.0 -91.0 134.8 117.2 51.4 37.4 7 5 A P + 0 0 95 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.642 54.1 134.1 -79.3 124.4 116.6 48.3 39.5 8 6 A V > + 0 0 63 -2,-0.4 3,-1.7 6,-0.0 7,-0.4 0.474 47.0 85.6-138.2 -20.4 113.1 47.9 40.8 9 7 A K T 3 S+ 0 0 182 1,-0.3 6,-0.1 5,-0.1 0, 0.0 0.699 87.9 59.1 -68.1 -17.0 112.0 44.2 40.2 10 8 A H T 3 S+ 0 0 127 1,-0.0 -1,-0.3 4,-0.0 3,-0.1 0.675 93.2 81.6 -80.0 -19.9 113.6 43.2 43.6 11 9 A S <> - 0 0 20 -3,-1.7 4,-2.8 1,-0.1 -1,-0.0 -0.809 62.7-157.1-100.8 121.0 111.3 45.6 45.5 12 10 A P T 4 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.825 100.3 50.1 -55.9 -34.9 107.7 44.7 46.5 13 11 A L T 4 S+ 0 0 160 1,-0.1 -5,-0.0 -3,-0.1 -2,-0.0 0.921 118.6 34.3 -69.2 -45.7 107.1 48.5 46.7 14 12 A L T 4 S+ 0 0 110 -6,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.770 90.9 97.7 -88.3 -29.9 108.5 49.4 43.3 15 13 A R S < S- 0 0 123 -4,-2.8 3,-0.1 -7,-0.4 -6,-0.1 -0.418 78.2-111.7 -70.7 134.8 107.7 46.5 41.0 16 14 A Q - 0 0 171 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.177 43.1 -83.7 -62.4 154.8 104.7 47.0 38.8 17 15 A P - 0 0 90 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.297 38.8-125.1 -60.7 139.4 101.5 44.8 39.4 18 16 A E - 0 0 182 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.807 32.6-171.8 -89.8 117.2 101.5 41.4 37.8 19 17 A R - 0 0 127 -2,-0.7 3,-0.1 1,-0.1 4,-0.0 -0.919 24.2-164.0-115.2 134.0 98.4 41.1 35.6 20 18 A F S S+ 0 0 64 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.698 84.6 31.7 -87.8 -20.3 97.2 37.9 33.9 21 19 A I S S- 0 0 16 4,-0.0 -1,-0.2 3,-0.0 2,-0.1 -1.000 85.0-120.5-137.5 138.7 94.8 39.8 31.6 22 20 A A > - 0 0 43 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.389 25.4-116.5 -74.0 152.8 95.2 43.3 30.2 23 21 A R H > S+ 0 0 139 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 116.4 52.2 -52.0 -44.4 92.6 46.0 30.9 24 22 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 110.2 46.9 -63.4 -39.2 91.7 46.1 27.2 25 23 A E H > S+ 0 0 111 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.874 111.8 51.7 -69.5 -38.7 91.1 42.4 27.0 26 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 109.5 48.7 -65.3 -45.3 89.0 42.4 30.1 27 25 A Q H X S+ 0 0 50 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.902 112.4 49.4 -60.2 -40.5 86.8 45.2 28.8 28 26 A A H X S+ 0 0 59 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.914 110.0 51.7 -65.1 -40.5 86.4 43.3 25.6 29 27 A L H X S+ 0 0 30 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.916 109.2 49.5 -60.8 -45.8 85.5 40.1 27.5 30 28 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.917 111.1 49.6 -61.3 -43.6 82.9 41.9 29.5 31 29 A R H X S+ 0 0 87 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.872 110.8 50.1 -63.1 -37.4 81.3 43.4 26.4 32 30 A N H X S+ 0 0 46 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.876 110.8 48.0 -70.4 -39.0 81.3 39.9 24.7 33 31 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.894 111.8 51.6 -65.0 -40.4 79.6 38.3 27.8 34 32 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.912 107.1 52.8 -61.5 -42.7 77.1 41.2 27.7 35 33 A Q H X S+ 0 0 121 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.915 110.6 47.9 -59.5 -43.1 76.4 40.6 24.0 36 34 A N H >X S+ 0 0 35 -4,-2.0 3,-1.1 1,-0.2 4,-0.6 0.956 110.4 52.2 -60.2 -52.6 75.7 36.9 24.9 37 35 A L H >< S+ 0 0 5 -4,-2.8 3,-1.1 1,-0.3 -2,-0.2 0.902 109.6 46.5 -49.7 -50.5 73.4 37.9 27.8 38 36 A V H 3< S+ 0 0 30 -4,-2.4 24,-0.3 1,-0.2 -1,-0.3 0.616 112.3 52.9 -78.0 -6.9 71.2 40.2 25.8 39 37 A N H << S+ 0 0 90 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.397 75.6 121.5-107.2 1.0 70.9 37.7 23.0 40 38 A I << + 0 0 28 -3,-1.1 22,-0.9 -4,-0.6 2,-0.3 -0.442 40.5 160.2 -60.4 135.0 69.8 34.8 25.1 41 39 A K - 0 0 113 20,-0.2 2,-0.3 -2,-0.1 3,-0.1 -0.982 46.7-139.1-156.8 163.0 66.4 33.6 23.7 42 40 A D > + 0 0 14 -2,-0.3 3,-0.6 1,-0.1 19,-0.1 -0.680 29.0 169.0-127.2 74.0 63.9 30.8 23.6 43 41 A E T 3 S+ 0 0 175 -2,-0.3 -1,-0.1 1,-0.3 18,-0.0 0.844 77.2 46.7 -60.8 -36.6 62.7 30.9 19.9 44 42 A S T 3 S- 0 0 85 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.731 107.4-122.6 -78.4 -22.8 60.9 27.5 20.1 45 43 A G X + 0 0 18 -3,-0.6 3,-0.9 2,-0.0 -2,-0.1 0.693 62.2 144.6 86.1 20.5 59.2 28.3 23.3 46 44 A Q T 3 S+ 0 0 141 1,-0.2 -4,-0.0 0, 0.0 -3,-0.0 0.922 72.5 37.2 -50.7 -53.5 60.6 25.2 25.1 47 45 A F T 3 S+ 0 0 92 2,-0.1 12,-0.2 0, 0.0 -1,-0.2 0.286 79.6 145.1 -94.5 8.7 61.0 26.9 28.5 48 46 A L < - 0 0 50 -3,-0.9 2,-0.6 10,-0.1 10,-0.2 -0.210 46.8-132.8 -51.6 130.0 57.9 29.0 28.5 49 47 A L E -A 57 0A 53 8,-2.9 8,-3.4 2,-0.0 2,-0.4 -0.785 24.0-163.8 -87.4 122.6 56.4 29.3 32.0 50 48 A R E -A 56 0A 163 -2,-0.6 2,-0.3 6,-0.2 6,-0.2 -0.922 6.2-167.7-114.6 131.7 52.6 28.7 32.0 51 49 A L > - 0 0 29 4,-2.4 3,-2.1 -2,-0.4 4,-0.1 -0.870 31.7-120.8-114.9 150.5 50.2 29.6 34.8 52 50 A D T 3 S+ 0 0 173 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.428 107.8 72.4 -76.8 7.2 46.6 28.5 35.1 53 51 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.357 123.4-100.0 -91.7 4.2 45.5 32.1 35.1 54 52 A G S < S+ 0 0 62 -3,-2.1 -2,-0.2 1,-0.3 2,-0.1 0.297 77.8 139.9 99.0 -8.2 46.3 32.1 31.4 55 53 A R - 0 0 78 -4,-0.1 -4,-2.4 -5,-0.0 2,-0.4 -0.425 32.0-167.7 -70.1 142.5 49.7 33.8 31.7 56 54 A V E -A 50 0A 76 -6,-0.2 2,-0.5 -2,-0.1 -6,-0.2 -0.967 12.4-164.6-132.6 115.5 52.5 32.6 29.5 57 55 A I E -A 49 0A 27 -8,-3.4 -8,-2.9 -2,-0.4 2,-0.9 -0.879 19.7-145.3-116.8 127.7 55.9 33.9 30.4 58 56 A D + 0 0 52 -2,-0.5 7,-0.3 -10,-0.2 -10,-0.1 -0.783 21.6 174.4 -85.7 106.2 59.3 34.0 28.6 59 57 A T S S+ 0 0 36 -2,-0.9 -1,-0.2 -12,-0.2 9,-0.1 0.562 73.3 47.0 -88.1 -8.4 61.9 33.5 31.3 60 58 A K S S+ 0 0 29 -18,-0.1 -1,-0.1 302,-0.0 -20,-0.1 0.840 87.7 87.2-103.7 -41.8 64.9 33.3 28.9 61 59 A G S > S- 0 0 5 1,-0.1 3,-1.7 -19,-0.1 -20,-0.2 -0.177 79.7-121.4 -64.4 154.3 64.6 36.1 26.3 62 60 A W T 3 S+ 0 0 48 -22,-0.9 -1,-0.1 -24,-0.3 -21,-0.1 0.771 113.2 66.1 -65.6 -25.0 66.0 39.5 27.0 63 61 A A T 3 S+ 0 0 57 -25,-0.1 -1,-0.3 2,-0.1 -5,-0.1 0.487 88.0 95.5 -74.8 -1.6 62.5 40.8 26.5 64 62 A G S < S- 0 0 9 -3,-1.7 2,-0.3 -7,-0.1 -5,-0.1 -0.111 71.6-134.2 -80.5-177.2 61.5 39.0 29.7 65 63 A W + 0 0 17 -7,-0.3 2,-0.2 4,-0.0 -2,-0.1 -0.752 47.5 132.4-144.8 88.6 61.3 40.3 33.2 66 64 A E S >> S- 0 0 30 -2,-0.3 4,-1.4 -7,-0.1 3,-0.7 -0.778 72.5 -95.1-131.2 173.0 62.9 38.0 35.8 67 65 A W H 3> S+ 0 0 48 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.836 123.1 64.9 -60.0 -28.9 65.3 38.3 38.6 68 66 A T H 3> S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 98.6 50.6 -63.8 -37.6 68.0 37.4 36.1 69 67 A H H <> S+ 0 0 6 -3,-0.7 4,-3.1 2,-0.2 -1,-0.2 0.890 108.4 54.2 -64.9 -37.9 67.3 40.6 34.1 70 68 A G H X S+ 0 0 4 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.930 110.7 43.8 -60.8 -45.5 67.7 42.5 37.4 71 69 A V H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.920 115.9 48.4 -68.1 -41.4 71.1 41.0 38.1 72 70 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.920 110.5 50.3 -61.8 -45.5 72.2 41.5 34.5 73 71 A L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.882 108.7 53.4 -60.1 -37.2 71.1 45.1 34.4 74 72 A Y H X S+ 0 0 8 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.896 110.1 46.5 -67.9 -39.9 73.0 45.8 37.6 75 73 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.931 113.7 47.5 -65.6 -48.2 76.2 44.4 36.2 76 74 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 112.2 52.2 -58.1 -41.7 75.8 46.4 32.9 77 75 A Y H X S+ 0 0 7 -4,-2.8 4,-3.5 -5,-0.2 -2,-0.2 0.912 106.5 51.6 -62.9 -42.2 75.0 49.4 35.1 78 76 A Q H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.895 110.2 49.7 -63.5 -37.6 78.2 49.0 37.2 79 77 A Y H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 6,-0.4 0.927 113.6 45.3 -65.6 -45.1 80.2 48.8 34.0 80 78 A Y H X S+ 0 0 30 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.937 111.6 52.8 -58.7 -48.1 78.5 52.0 32.7 81 79 A Q H < S+ 0 0 93 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 115.0 42.3 -55.2 -40.5 79.0 53.7 36.0 82 80 A Q H < S+ 0 0 30 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.859 130.6 20.4 -76.3 -37.5 82.7 52.9 36.0 83 81 A T H < S- 0 0 54 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.605 88.5-126.2-112.5 -20.0 83.5 53.7 32.3 84 82 A G < + 0 0 39 -4,-3.3 2,-0.3 -5,-0.3 -4,-0.2 0.534 43.3 173.4 76.4 7.6 80.8 56.0 31.0 85 83 A D > - 0 0 32 -6,-0.4 4,-2.1 1,-0.2 3,-0.3 -0.293 20.3-160.2 -55.7 111.4 80.2 53.5 28.1 86 84 A I H > S+ 0 0 78 -2,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.806 86.6 58.3 -68.2 -33.7 77.2 54.8 26.2 87 85 A E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.891 108.7 46.9 -64.0 -38.4 76.3 51.6 24.5 88 86 A X H > S+ 0 0 5 -3,-0.3 4,-1.6 2,-0.2 3,-0.3 0.946 110.7 51.6 -67.1 -47.7 76.0 49.9 27.9 89 87 A R H X S+ 0 0 69 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 108.5 53.3 -50.5 -44.0 73.9 52.8 29.2 90 88 A D H X S+ 0 0 47 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.839 100.8 57.9 -68.2 -34.4 71.6 52.4 26.2 91 89 A I H X S+ 0 0 24 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.930 110.3 46.1 -56.5 -46.0 71.0 48.7 26.7 92 90 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.958 112.9 47.2 -62.1 -53.4 69.6 49.5 30.2 93 91 A D H X S+ 0 0 20 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.890 112.0 50.8 -61.0 -39.4 67.5 52.5 29.1 94 92 A R H X S+ 0 0 139 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.874 107.2 54.3 -65.7 -37.1 66.0 50.5 26.2 95 93 A W H X S+ 0 0 2 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.966 112.6 41.8 -62.7 -51.1 65.1 47.6 28.5 96 94 A F H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.921 114.5 52.4 -61.0 -43.4 63.2 49.7 30.9 97 95 A A H X S+ 0 0 57 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.941 112.9 44.2 -57.3 -48.2 61.6 51.7 28.0 98 96 A D H X S+ 0 0 86 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.928 115.5 47.0 -63.6 -46.5 60.4 48.4 26.4 99 97 A R H X S+ 0 0 6 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.904 112.8 48.0 -64.0 -43.7 59.1 46.8 29.6 100 98 A F H < S+ 0 0 33 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.861 108.7 54.2 -69.8 -33.0 57.2 49.9 30.8 101 99 A A H < S+ 0 0 90 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.863 110.5 48.4 -63.8 -35.5 55.6 50.3 27.4 102 100 A E H < S- 0 0 126 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.8-110.5 -71.0 -39.9 54.4 46.7 27.6 103 101 A G < - 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