==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEIC ACID BINDING PROTEIN 27-MAR-01 1IB8 . COMPND 2 MOLECULE: CONSERVED PROTEIN SP14.3; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR L.YU,A.H.GUNASEKERA,J.MACK,E.T.OLEJNICZAK,L.E.CHOVAN,X.RUAN, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 23.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 23 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 0 2 1 0 1 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 G 0 0 126 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 156.2 -23.7 16.2 -11.6 2 2 A S - 0 0 106 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.963 360.0 -80.7-174.1-175.8 -26.7 16.9 -9.4 3 3 A G S S+ 0 0 76 -2,-0.3 -1,-0.2 0, 0.0 2,-0.0 0.999 105.0 53.1 -68.2 -69.3 -28.3 16.7 -6.0 4 4 A V + 0 0 125 -3,-0.1 2,-0.2 4,-0.0 -2,-0.1 -0.336 65.7 154.9 -68.7 149.9 -29.4 13.1 -5.8 5 5 A D > - 0 0 79 1,-0.1 4,-1.2 -4,-0.1 5,-0.0 -0.784 36.4-156.4-177.6 131.0 -26.9 10.3 -6.5 6 6 A A H > S+ 0 0 41 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.932 96.2 53.8 -77.3 -49.8 -26.4 6.6 -5.5 7 7 A I H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.942 116.1 38.8 -50.4 -54.9 -22.7 6.4 -6.1 8 8 A A H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.892 113.9 56.3 -63.6 -39.5 -22.0 9.4 -3.8 9 9 A T H X S+ 0 0 49 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.831 103.7 55.4 -61.1 -32.6 -24.8 8.2 -1.4 10 10 A I H X S+ 0 0 7 -4,-2.6 4,-3.4 -3,-0.2 5,-0.3 0.895 102.8 54.6 -67.8 -41.4 -22.9 4.9 -1.2 11 11 A V H X S+ 0 0 48 -4,-1.5 4,-2.0 1,-0.2 5,-0.2 0.916 106.9 51.2 -58.7 -45.5 -19.7 6.6 -0.0 12 12 A E H X S+ 0 0 153 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.936 117.1 38.5 -58.2 -49.9 -21.5 8.3 2.8 13 13 A L H X S+ 0 0 49 -4,-1.7 4,-1.6 2,-0.2 5,-0.3 0.955 112.8 55.0 -67.1 -51.6 -23.0 5.1 4.1 14 14 A V H X S+ 0 0 4 -4,-3.4 4,-0.8 1,-0.2 -1,-0.2 0.849 114.3 43.4 -50.9 -35.6 -20.0 2.9 3.4 15 15 A R H >X S+ 0 0 169 -4,-2.0 4,-1.5 -5,-0.3 3,-0.6 0.926 112.0 51.3 -74.7 -47.7 -18.0 5.3 5.5 16 16 A E H 3< S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.620 116.9 42.5 -65.5 -13.2 -20.7 5.6 8.2 17 17 A V H 3< S+ 0 0 30 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.554 104.9 62.9-108.4 -13.6 -20.7 1.8 8.4 18 18 A V H S+ 0 0 13 -4,-0.8 4,-1.3 -3,-0.6 5,-0.5 0.849 102.4 50.1 -78.9 -35.8 -16.9 1.2 8.2 19 19 A E H X5S+ 0 0 139 -4,-1.5 2,-2.5 1,-0.2 4,-0.9 0.983 106.0 53.4 -65.7 -59.7 -16.2 3.1 11.5 20 20 A P H 45S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.329 115.7 39.6 -76.1 59.9 -18.8 1.2 13.7 21 21 A V H 45S+ 0 0 46 -2,-2.5 -2,-0.2 -3,-0.4 -3,-0.1 0.087 115.7 32.8-162.2 -71.5 -17.5 -2.2 12.7 22 22 A I H <5 - 0 0 12 -4,-1.3 4,-0.1 4,-0.0 -3,-0.1 0.938 69.3-175.9 -68.6 -48.6 -13.8 -2.7 12.4 23 23 A E << - 0 0 161 -4,-0.9 4,-0.1 -5,-0.5 -4,-0.1 0.933 47.8 -75.4 48.4 55.1 -12.9 -0.2 15.2 24 24 A A S S+ 0 0 58 2,-0.6 2,-0.1 1,-0.2 3,-0.1 0.186 91.5 116.7 58.8 172.6 -9.2 -0.6 14.6 25 25 A P S S+ 0 0 84 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.915 104.0 61.5 -68.3 -27.8 -6.5 -1.8 14.5 26 26 A F S S- 0 0 36 -4,-0.1 -2,-0.6 22,-0.1 2,-0.3 -0.411 82.4-152.3 -60.3 108.9 -7.1 -1.7 10.8 27 27 A E E -A 47 0A 129 20,-1.6 20,-3.2 -2,-0.5 2,-0.4 -0.657 14.8-117.2 -87.8 140.5 -7.5 1.9 10.0 28 28 A L E -A 46 0A 62 -2,-0.3 18,-0.3 18,-0.2 3,-0.1 -0.623 28.5-179.4 -79.4 127.8 -9.6 3.0 7.0 29 29 A V E - 0 0 64 16,-2.6 2,-0.3 -2,-0.4 17,-0.2 0.897 55.5 -57.0 -90.8 -51.6 -7.7 4.8 4.3 30 30 A D E -A 45 0A 93 15,-2.4 15,-2.6 2,-0.0 -1,-0.4 -0.976 40.8-133.6-177.3 177.1 -10.4 5.5 1.7 31 31 A I E +A 44 0A 18 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.977 26.8 150.9-154.4 137.6 -13.1 4.1 -0.6 32 32 A E E -A 43 0A 128 11,-1.3 11,-2.7 -2,-0.3 2,-0.3 -0.928 31.9-118.6-154.6 176.2 -14.1 4.6 -4.2 33 33 A Y E -A 42 0A 39 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.944 22.2-165.7-127.2 148.1 -15.7 2.9 -7.2 34 34 A G E -A 41 0A 24 7,-2.8 7,-1.8 -2,-0.3 2,-0.6 -0.819 23.0-116.2-128.6 169.0 -14.3 2.1 -10.7 35 35 A K E +A 40 0A 181 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.907 29.4 176.2-110.9 109.7 -15.5 1.1 -14.1 36 36 A I E > -A 39 0A 81 3,-1.9 2,-2.4 -2,-0.6 3,-0.7 -0.854 65.1 -66.2-115.5 96.2 -14.3 -2.3 -15.3 37 37 A G T 3 S- 0 0 85 -2,-0.7 3,-0.1 1,-0.2 -2,-0.0 -0.381 119.4 -19.4 65.1 -79.3 -15.8 -3.2 -18.7 38 38 A S T 3 S+ 0 0 92 -2,-2.4 2,-0.3 1,-0.1 -1,-0.2 -0.089 119.0 85.5-153.5 41.0 -19.4 -3.5 -17.4 39 39 A D E < S-A 36 0A 25 -3,-0.7 -3,-1.9 41,-0.1 2,-0.9 -0.971 72.1-124.7-149.4 129.6 -19.1 -4.0 -13.6 40 40 A M E -Ab 35 80A 62 39,-1.6 41,-1.4 -2,-0.3 2,-0.4 -0.637 30.5-153.5 -77.9 104.6 -18.9 -1.4 -10.9 41 41 A I E -Ab 34 81A 25 -7,-1.8 -7,-2.8 -2,-0.9 2,-0.5 -0.641 2.0-152.5 -82.8 133.3 -15.7 -2.3 -8.9 42 42 A L E -Ab 33 82A 11 39,-1.6 41,-2.7 -2,-0.4 2,-0.5 -0.889 8.4-168.3-106.2 131.0 -15.6 -1.2 -5.3 43 43 A S E -Ab 32 83A 30 -11,-2.7 -11,-1.3 -2,-0.5 2,-0.9 -0.874 4.3-169.0-126.1 102.7 -12.2 -0.6 -3.7 44 44 A I E -Ab 31 84A 13 39,-1.8 41,-1.5 -2,-0.5 2,-0.6 -0.779 13.4-155.3 -91.4 107.3 -11.9 -0.2 0.0 45 45 A F E +Ab 30 85A 75 -15,-2.6 -16,-2.6 -2,-0.9 -15,-2.4 -0.747 17.3 177.4 -88.1 119.4 -8.5 1.1 0.9 46 46 A V E -A 28 0A 1 39,-1.5 2,-0.3 -2,-0.6 -18,-0.2 -0.934 13.6-151.6-123.3 145.8 -7.3 0.2 4.4 47 47 A D E -A 27 0A 59 -20,-3.2 -20,-1.6 -2,-0.4 5,-0.1 -0.823 6.2-157.4-115.8 155.3 -4.0 0.9 6.2 48 48 A K - 0 0 56 -2,-0.3 3,-0.1 -22,-0.2 -22,-0.1 -0.884 27.7-118.6-128.8 160.1 -2.2 -0.9 8.9 49 49 A P S S- 0 0 100 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 0.916 93.7 -33.6 -62.4 -45.5 0.5 -0.0 11.6 50 50 A E S S+ 0 0 119 -3,-0.0 2,-0.2 0, 0.0 -3,-0.0 -0.317 121.0 27.4 178.6 88.3 3.0 -2.5 10.2 51 51 A G + 0 0 56 -3,-0.1 -3,-0.1 -2,-0.0 0, 0.0 -0.695 51.9 147.6 161.8-103.7 2.0 -5.8 8.7 52 52 A I + 0 0 29 -2,-0.2 2,-0.3 -5,-0.1 3,-0.0 0.240 21.5 174.5 54.7 172.7 -1.2 -6.7 6.9 53 53 A T > - 0 0 89 1,-0.1 4,-1.5 0, 0.0 3,-0.1 -0.976 50.5 -64.4 174.4-174.3 -1.4 -9.2 4.0 54 54 A L H > S+ 0 0 150 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.755 127.8 57.2 -67.3 -24.4 -3.6 -11.1 1.6 55 55 A N H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.872 103.9 51.0 -74.1 -38.2 -5.1 -13.0 4.6 56 56 A D H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.863 105.8 56.9 -66.8 -36.8 -6.2 -9.7 6.3 57 57 A T H X S+ 0 0 25 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.938 105.6 49.1 -60.1 -49.4 -7.9 -8.5 3.2 58 58 A A H X S+ 0 0 54 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.878 116.4 43.4 -58.5 -39.6 -10.2 -11.6 3.0 59 59 A D H X S+ 0 0 112 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.869 111.3 54.7 -74.1 -38.1 -11.1 -11.2 6.7 60 60 A L H >X S+ 0 0 3 -4,-3.0 4,-1.6 2,-0.2 3,-0.5 0.942 109.8 45.5 -60.8 -50.2 -11.5 -7.4 6.3 61 61 A T H 3X S+ 0 0 29 -4,-2.7 4,-3.0 1,-0.2 3,-0.4 0.939 106.7 58.5 -59.5 -48.7 -14.0 -7.7 3.5 62 62 A E H 3< S+ 0 0 135 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.9 50.7 -50.6 -32.2 -16.0 -10.5 5.2 63 63 A M H << S+ 0 0 72 -4,-1.2 4,-0.4 -3,-0.5 -1,-0.3 0.874 113.2 42.8 -74.4 -39.3 -16.4 -7.9 8.0 64 64 A I H >< S+ 0 0 5 -4,-1.6 3,-0.9 -3,-0.4 -2,-0.2 0.765 98.4 76.7 -77.6 -27.2 -17.7 -5.2 5.7 65 65 A S G >X S+ 0 0 57 -4,-3.0 3,-3.4 1,-0.3 4,-1.1 0.937 87.6 57.5 -47.7 -57.6 -19.9 -7.6 3.8 66 66 A P G 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.822 116.8 36.3 -43.5 -38.2 -22.6 -7.8 6.5 67 67 A V G <4 S+ 0 0 31 -3,-0.9 -2,-0.2 -4,-0.4 -3,-0.1 -0.063 105.2 74.6-107.7 30.9 -22.9 -4.0 6.2 68 68 A L T X4 S+ 0 0 11 -3,-3.4 3,-0.5 1,-0.1 -3,-0.1 0.680 90.6 50.8-110.4 -31.0 -22.4 -4.0 2.4 69 69 A D T 3< S+ 0 0 139 -4,-1.1 -2,-0.1 1,-0.2 -1,-0.1 -0.054 104.5 61.7 -98.5 31.3 -25.8 -5.3 1.2 70 70 A T T 3 + 0 0 77 -3,-0.1 2,-0.5 2,-0.0 -1,-0.2 -0.027 58.7 120.2-144.4 31.6 -27.7 -2.8 3.3 71 71 A I < - 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0 0 38 -2,-0.3 -39,-0.2 -41,-0.2 3,-0.2 -0.760 8.4-145.3-104.6 150.7 -4.0 -1.8 1.3 87 87 A P + 0 0 50 0, 0.0 2,-3.0 0, 0.0 3,-0.1 0.900 25.9 172.4 -79.0 -44.4 -2.0 1.3 0.2 88 88 A G S S- 0 0 46 -42,-0.2 -40,-0.0 1,-0.2 -41,-0.0 -0.354 71.2 -47.9 69.6 -69.3 1.2 0.5 2.0 89 89 A L S S- 0 0 77 -2,-3.0 -1,-0.2 -3,-0.2 68,-0.0 0.166 77.6 -86.4-157.4 -69.4 3.1 3.4 0.4 90 90 A E S S+ 0 0 181 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.081 106.5 8.1 170.9 -35.4 2.8 3.8 -3.4 91 91 A R S S- 0 0 161 3,-0.0 -3,-0.1 0, 0.0 11,-0.0 -0.307 73.3-178.2-167.3 71.0 5.5 1.6 -4.9 92 92 A P - 0 0 60 0, 0.0 3,-0.4 0, 0.0 65,-0.1 -0.019 39.7-109.9 -66.9 176.0 7.3 -0.7 -2.5 93 93 A L + 0 0 16 63,-0.7 6,-0.1 1,-0.2 60,-0.1 -0.066 69.9 133.1 -99.8 31.7 10.1 -3.1 -3.5 94 94 A K S S+ 0 0 191 2,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.863 77.5 20.7 -48.4 -40.4 8.0 -6.2 -3.0 95 95 A T S >> S- 0 0 80 -3,-0.4 3,-1.8 1,-0.1 4,-1.2 -0.919 84.2-110.9-131.5 157.6 9.3 -7.5 -6.4 96 96 A K H 3> S+ 0 0 59 -2,-0.3 4,-3.3 1,-0.3 5,-0.4 0.733 111.9 74.4 -56.9 -22.2 12.3 -6.8 -8.6 97 97 A D H 3> S+ 0 0 135 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.866 99.0 44.1 -59.9 -35.8 9.8 -5.1 -11.0 98 98 A A H <> S+ 0 0 19 -3,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.884 114.5 49.0 -75.2 -41.1 9.6 -2.2 -8.6 99 99 A V H X S+ 0 0 13 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.959 113.8 44.2 -63.6 -52.6 13.3 -2.1 -8.1 100 100 A A H < S+ 0 0 45 -4,-3.3 28,-0.2 1,-0.2 -1,-0.2 0.798 118.7 46.7 -62.4 -29.6 14.2 -2.2 -11.8 101 101 A G H < S+ 0 0 55 -4,-1.0 -2,-0.2 -5,-0.4 -1,-0.2 0.877 103.7 61.4 -80.9 -40.6 11.5 0.4 -12.4 102 102 A A H < + 0 0 16 -4,-3.0 -2,-0.2 -5,-0.1 -3,-0.1 0.963 64.2 153.9 -48.1 -79.5 12.3 2.8 -9.6 103 103 A V < + 0 0 60 -4,-1.0 23,-0.2 1,-0.1 24,-0.1 0.920 63.7 39.8 44.5 96.8 15.8 3.8 -10.7 104 104 A G S S+ 0 0 56 21,-3.9 2,-0.3 1,-0.3 22,-0.2 0.665 90.4 113.5 112.3 24.8 16.4 7.3 -9.3 105 105 A K E -C 125 0B 99 20,-1.1 20,-3.1 55,-0.1 2,-0.7 -0.894 67.6-111.3-128.5 159.4 14.8 7.1 -5.8 106 106 A Y E -CD 124 159B 28 53,-1.3 53,-1.2 -2,-0.3 2,-0.3 -0.786 42.8-179.0 -90.9 115.3 15.9 7.1 -2.2 107 107 A I E -CD 123 158B 2 16,-3.3 16,-3.3 -2,-0.7 2,-0.4 -0.901 20.7-154.1-121.0 150.3 15.5 3.7 -0.6 108 108 A H E -CD 122 157B 42 49,-1.8 49,-1.9 -2,-0.3 2,-0.4 -0.975 15.9-174.4-120.8 127.3 16.0 2.3 2.9 109 109 A V E -C 121 0B 7 12,-1.7 12,-1.5 -2,-0.4 2,-0.5 -0.983 10.8-163.1-129.8 132.4 16.7 -1.5 3.3 110 110 A G E -C 120 0B 11 -2,-0.4 45,-1.4 45,-0.3 44,-0.9 -0.945 12.3-165.2-115.0 118.9 17.0 -3.5 6.5 111 111 A L - 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