==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 18-JAN-10 3LFT . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR A.J.STEIN,R.MULLIGAN,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER . 585 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 3 3 3 1 1 2 3 0 1 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 4 3 0 3 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 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 0 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 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 49 A S 0 0 165 0, 0.0 35,-0.0 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 154.0 -13.9 12.1 -8.1 2 50 A N - 0 0 80 1,-0.2 35,-0.1 35,-0.0 2,-0.1 0.859 360.0-159.4 49.3 47.4 -11.6 12.0 -11.2 3 51 A A E +a 37 0A 10 33,-0.6 35,-1.7 60,-0.1 2,-0.4 -0.338 17.7 172.6 -65.4 128.9 -8.7 10.6 -9.3 4 52 A K E +a 38 0A 87 33,-0.2 60,-3.3 -2,-0.1 61,-0.7 -0.988 3.1 177.2-137.4 126.4 -5.3 11.2 -11.0 5 53 A I E -ab 39 65A 0 33,-2.7 35,-2.8 -2,-0.4 2,-0.4 -0.968 19.7-144.7-130.9 148.5 -1.9 10.4 -9.5 6 54 A G E -ab 40 66A 0 59,-2.0 61,-2.2 -2,-0.4 2,-0.4 -0.905 15.5-164.5-106.2 141.2 1.7 10.6 -10.7 7 55 A V E -ab 41 67A 0 33,-2.9 35,-2.7 -2,-0.4 2,-0.6 -0.993 5.9-168.6-128.8 124.9 4.3 8.1 -9.6 8 56 A L E -ab 42 68A 0 59,-3.1 61,-2.9 -2,-0.4 2,-0.5 -0.965 4.6-165.1-113.1 113.9 8.0 8.4 -9.9 9 57 A Q E -ab 43 69A 1 33,-2.9 35,-2.1 -2,-0.6 36,-0.4 -0.876 16.0-143.0 -94.8 129.5 10.0 5.3 -9.3 10 58 A F - 0 0 9 59,-2.1 36,-3.0 -2,-0.5 37,-0.3 0.902 68.3 -25.6 -63.0 -43.1 13.7 6.2 -8.8 11 59 A V S S- 0 0 14 34,-0.3 2,-0.9 33,-0.2 -1,-0.2 -0.968 70.4 -88.2-161.7 162.3 15.2 3.2 -10.6 12 60 A S + 0 0 63 -2,-0.3 3,-0.0 -3,-0.1 31,-0.0 -0.783 60.2 135.9 -85.0 108.0 14.5 -0.4 -11.5 13 61 A H >> - 0 0 4 -2,-0.9 4,-1.8 188,-0.0 3,-0.6 -0.957 63.1-110.8-140.2 155.7 15.5 -2.8 -8.8 14 62 A P H 3> S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.840 113.2 56.6 -61.9 -31.4 13.3 -5.7 -7.7 15 63 A S H 3> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.928 108.6 47.2 -60.9 -43.4 12.5 -4.3 -4.3 16 64 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.886 108.8 54.6 -66.8 -37.5 11.1 -1.1 -5.8 17 65 A D H X S+ 0 0 81 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.903 109.3 48.4 -59.5 -40.0 9.1 -3.0 -8.3 18 66 A L H X S+ 0 0 75 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.888 108.6 53.2 -70.1 -38.6 7.5 -5.0 -5.5 19 67 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.935 109.2 49.6 -57.5 -45.8 6.7 -1.8 -3.6 20 68 A Y H X S+ 0 0 32 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 108.5 52.0 -63.0 -40.3 5.0 -0.5 -6.7 21 69 A K H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.934 110.0 50.7 -57.0 -46.0 3.0 -3.7 -7.0 22 70 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.898 106.8 53.7 -58.7 -41.9 2.0 -3.2 -3.3 23 71 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.944 110.5 46.5 -56.4 -50.4 0.9 0.4 -4.1 24 72 A Q H X S+ 0 0 81 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.890 112.5 50.2 -60.7 -40.1 -1.4 -0.8 -6.9 25 73 A D H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 111.3 48.5 -65.9 -40.5 -2.8 -3.6 -4.6 26 74 A G H X S+ 0 0 0 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.911 112.9 47.7 -69.1 -42.0 -3.5 -1.1 -1.8 27 75 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.5 -5,-0.2 3,-0.6 0.929 112.0 50.1 -56.8 -48.1 -5.2 1.3 -4.2 28 76 A A H ><5S+ 0 0 35 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.882 103.4 58.8 -63.3 -38.1 -7.3 -1.5 -5.7 29 77 A E H 3<5S+ 0 0 126 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.8 48.0 -60.2 -29.6 -8.4 -2.8 -2.3 30 78 A E T <<5S- 0 0 83 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.366 128.0 -98.3 -92.2 2.7 -9.9 0.7 -1.7 31 79 A G T < 5S+ 0 0 44 -3,-1.8 2,-1.6 -4,-0.2 -3,-0.2 0.387 84.2 130.1 97.0 -3.1 -11.7 0.8 -5.1 32 80 A Y < + 0 0 41 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.652 42.8 103.2 -88.8 83.1 -9.1 2.9 -6.9 33 81 A K > + 0 0 99 -2,-1.6 3,-2.4 -5,-0.1 4,-0.1 -0.958 69.9 0.2-152.3 166.8 -8.5 0.7 -10.0 34 82 A D G > S- 0 0 130 -2,-0.3 3,-1.2 1,-0.3 -2,-0.0 -0.234 133.5 -0.6 51.1-125.2 -9.5 0.5 -13.7 35 83 A D G 3 S+ 0 0 111 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.578 124.6 72.5 -71.6 -9.6 -11.7 3.6 -14.6 36 84 A Q G < S+ 0 0 50 -3,-2.4 -33,-0.6 -5,-0.2 2,-0.3 0.579 104.0 29.6 -84.8 -11.2 -11.6 5.0 -11.0 37 85 A V E < -a 3 0A 20 -3,-1.2 2,-0.5 -4,-0.1 -33,-0.2 -0.996 60.3-152.8-148.8 141.4 -7.9 6.1 -11.1 38 86 A K E -a 4 0A 57 -35,-1.7 -33,-2.7 -2,-0.3 2,-0.6 -0.979 18.2-164.8-112.4 117.0 -5.5 7.3 -13.7 39 87 A I E -a 5 0A 57 -2,-0.5 2,-0.8 -35,-0.2 -33,-0.2 -0.912 9.1-162.1-104.4 121.0 -1.8 6.6 -12.9 40 88 A D E -a 6 0A 66 -35,-2.8 -33,-2.9 -2,-0.6 2,-0.4 -0.904 20.5-167.4 -98.9 104.2 0.9 8.3 -14.7 41 89 A F E +a 7 0A 72 -2,-0.8 2,-0.3 -35,-0.2 -33,-0.2 -0.798 11.9 172.7-100.1 132.4 4.0 6.2 -14.0 42 90 A X E -a 8 0A 41 -35,-2.7 -33,-2.9 -2,-0.4 2,-0.5 -0.979 18.2-154.3-136.2 149.8 7.6 7.2 -14.7 43 91 A N E -a 9 0A 23 -2,-0.3 -33,-0.2 -35,-0.2 -32,-0.1 -0.986 4.7-160.0-127.5 118.2 11.0 5.6 -13.9 44 92 A S > - 0 0 0 -35,-2.1 3,-2.2 -2,-0.5 6,-0.3 0.488 30.5-134.6 -79.5 -1.2 14.0 7.9 -13.7 45 93 A E T 3 - 0 0 110 -36,-0.4 -34,-0.3 1,-0.3 -35,-0.1 0.807 62.5 -63.9 60.3 29.6 16.4 4.9 -14.2 46 94 A G T 3 S+ 0 0 36 -36,-3.0 2,-0.6 1,-0.2 -1,-0.3 0.601 104.6 131.4 70.8 11.3 18.7 6.0 -11.3 47 95 A D <> - 0 0 65 -3,-2.2 4,-2.2 -37,-0.3 3,-0.4 -0.858 50.4-155.8-106.1 116.3 19.5 9.2 -13.2 48 96 A Q H > S+ 0 0 109 -2,-0.6 4,-2.2 1,-0.2 5,-0.1 0.794 96.0 59.2 -61.5 -28.5 19.3 12.5 -11.3 49 97 A S H > S+ 0 0 85 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 108.0 45.0 -63.9 -42.8 18.8 14.4 -14.6 50 98 A K H > S+ 0 0 90 -3,-0.4 4,-2.9 -6,-0.3 5,-0.4 0.860 107.9 58.7 -68.1 -36.4 15.7 12.3 -15.2 51 99 A V H X S+ 0 0 2 -4,-2.2 4,-2.4 -7,-0.2 5,-0.2 0.953 110.1 43.5 -55.7 -47.4 14.6 12.8 -11.6 52 100 A A H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.945 118.0 42.7 -65.6 -47.8 14.6 16.6 -12.2 53 101 A T H X S+ 0 0 83 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.935 118.0 44.7 -67.5 -43.5 12.9 16.5 -15.6 54 102 A X H X S+ 0 0 33 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.898 111.8 52.5 -69.8 -39.6 10.3 13.9 -14.7 55 103 A S H X S+ 0 0 1 -4,-2.4 4,-1.8 -5,-0.4 -1,-0.2 0.924 107.7 52.4 -59.9 -43.5 9.5 15.6 -11.3 56 104 A K H < S+ 0 0 158 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.921 113.2 44.7 -58.9 -43.1 8.9 18.9 -13.1 57 105 A Q H >< S+ 0 0 101 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.943 110.9 52.6 -64.6 -48.5 6.5 17.2 -15.5 58 106 A L H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.3 5,-0.4 0.780 108.7 48.9 -65.1 -29.4 4.6 15.2 -12.8 59 107 A V T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.530 113.5 47.0 -89.1 -3.7 3.8 18.2 -10.6 60 108 A A T < S+ 0 0 83 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.030 91.0 84.3-123.2 24.3 2.5 20.3 -13.4 61 109 A N S < S- 0 0 101 -3,-0.6 -1,-0.1 2,-0.0 -2,-0.1 0.019 106.9 -92.4-122.7 27.3 0.2 17.8 -15.2 62 110 A G S S+ 0 0 46 1,-0.2 2,-0.1 -3,-0.1 -3,-0.1 0.633 70.6 154.4 74.5 12.9 -3.1 17.9 -13.3 63 111 A N - 0 0 16 -5,-0.4 -1,-0.2 1,-0.1 -58,-0.2 -0.481 46.2-140.6 -70.7 144.1 -2.3 15.1 -10.8 64 112 A D S S- 0 0 66 -60,-3.3 2,-0.3 1,-0.3 -59,-0.2 0.749 83.7 -16.8 -71.7 -30.9 -4.2 15.2 -7.5 65 113 A L E -b 5 0A 0 -61,-0.7 -59,-2.0 19,-0.1 2,-0.3 -0.957 65.9-128.2-161.9 167.0 -0.9 14.1 -5.8 66 114 A V E -bc 6 86A 0 19,-2.6 21,-3.0 -2,-0.3 2,-0.4 -0.921 12.5-148.6-125.7 157.7 2.4 12.5 -6.7 67 115 A V E -bc 7 87A 0 -61,-2.2 -59,-3.1 -2,-0.3 2,-0.6 -0.988 3.4-158.3-129.0 127.5 4.3 9.5 -5.2 68 116 A G E -bc 8 88A 0 19,-2.4 21,-2.9 -2,-0.4 2,-0.7 -0.944 6.4-154.2-111.5 116.1 8.0 9.1 -5.0 69 117 A I E S+bc 9 89A 0 -61,-2.9 -59,-2.1 -2,-0.6 4,-0.2 -0.837 71.2 6.1 -91.8 112.5 9.3 5.5 -4.7 70 118 A A S >> S- 0 0 0 19,-1.9 4,-2.2 -2,-0.7 3,-0.8 0.220 97.6 -79.5 86.6 152.6 12.7 5.7 -2.9 71 119 A T H 3> S+ 0 0 0 516,-2.4 4,-2.9 19,-0.4 5,-0.2 0.861 125.0 52.2 -53.7 -47.1 14.4 8.8 -1.3 72 120 A P H 3> S+ 0 0 5 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.854 111.7 48.5 -64.0 -30.8 15.8 10.4 -4.5 73 121 A A H <> S+ 0 0 0 -3,-0.8 4,-2.2 -4,-0.2 -2,-0.2 0.934 112.8 45.8 -71.0 -45.9 12.3 10.3 -6.2 74 122 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.903 113.1 51.6 -62.6 -39.7 10.5 11.7 -3.2 75 123 A Q H X S+ 0 0 49 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.899 108.3 51.7 -63.9 -39.6 13.2 14.4 -2.9 76 124 A G H X S+ 0 0 13 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.929 113.8 43.2 -60.9 -45.0 12.8 15.3 -6.6 77 125 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.924 112.9 51.1 -68.0 -44.1 9.0 15.7 -6.3 78 126 A A H < S+ 0 0 12 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.783 111.2 49.5 -65.9 -27.6 9.2 17.6 -3.0 79 127 A S H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 109.8 51.8 -73.1 -36.6 11.7 20.0 -4.6 80 128 A A H < S+ 0 0 42 -4,-1.6 2,-0.3 -5,-0.2 -2,-0.2 0.689 120.0 25.8 -77.5 -21.7 9.5 20.5 -7.6 81 129 A T < - 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