==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-SEP-04 1XG8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN SA0798; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR F.J.ROTELLA,R.G.ZHANG,Y.KIM,P.QUARTEY,F.COLLART, . 108 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 10.2 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 . 1 0.9 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 . 6 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 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 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 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 -8 A A 0 0 126 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 148.3 21.9 9.2 27.0 2 -7 A N > - 0 0 34 1,-0.1 3,-1.3 0, 0.0 4,-0.4 -0.993 360.0-134.5-142.4 133.0 18.7 7.1 26.8 3 -6 A L T 3 S+ 0 0 3 106,-0.5 3,-0.4 -2,-0.3 44,-0.4 0.751 104.7 54.0 -57.4 -26.6 15.6 7.2 29.0 4 -5 A Y T 3 S+ 0 0 130 1,-0.2 -1,-0.2 42,-0.1 3,-0.0 0.632 89.3 74.6 -86.0 -14.3 15.5 3.4 29.1 5 -4 A F S < S+ 0 0 170 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.668 108.5 2.0 -73.7 -17.1 19.0 2.7 30.2 6 -3 A Q S S- 0 0 88 -3,-0.4 2,-0.3 -4,-0.4 41,-0.3 -0.990 87.9 -75.1-161.8 165.5 18.4 3.7 33.9 7 -2 A S - 0 0 55 -2,-0.3 2,-0.4 39,-0.1 41,-0.3 -0.536 55.8-124.8 -68.9 126.5 15.9 4.9 36.4 8 -1 A N E -a 48 0A 0 39,-3.6 41,-2.7 -2,-0.3 2,-0.7 -0.630 12.3-128.7 -83.8 125.3 15.3 8.6 35.7 9 0 A A E -a 49 0A 33 -2,-0.4 75,-3.7 39,-0.2 2,-0.6 -0.584 27.8-177.0 -74.8 107.0 15.8 11.2 38.5 10 1 A V E -aB 50 83A 6 39,-2.9 41,-1.9 -2,-0.7 2,-0.4 -0.924 5.9-175.9-108.0 119.2 12.7 13.4 38.7 11 2 A V E -aB 51 82A 14 71,-3.0 71,-2.4 -2,-0.6 2,-0.5 -0.899 18.2-160.6-120.5 147.5 12.9 16.2 41.3 12 3 A V E -aB 52 81A 1 39,-2.2 41,-2.6 -2,-0.4 2,-0.5 -0.985 10.2-162.3-123.1 114.6 10.4 18.8 42.5 13 4 A Y E +aB 53 80A 0 67,-2.7 67,-2.4 -2,-0.5 2,-0.3 -0.844 41.2 103.2 -95.5 134.1 12.0 21.8 44.2 14 5 A G E -a 54 0A 0 39,-2.7 41,-2.9 -2,-0.5 42,-0.3 -0.911 55.2-105.8-175.4-155.3 9.5 23.7 46.2 15 6 A A - 0 0 2 2,-0.3 13,-0.6 -2,-0.3 14,-0.3 -0.972 32.4-106.0-154.8 164.6 8.2 24.5 49.7 16 7 A D S S+ 0 0 95 -2,-0.3 2,-0.3 12,-0.1 11,-0.0 0.346 105.4 62.8 -77.7 9.1 5.2 23.8 51.9 17 8 A V S S- 0 0 87 10,-0.0 -2,-0.3 0, 0.0 11,-0.2 -0.898 95.8 -92.6-129.1 159.3 4.0 27.3 51.2 18 9 A I - 0 0 97 -2,-0.3 2,-0.5 1,-0.1 5,-0.1 -0.395 32.6-113.4 -80.4 151.7 3.0 29.0 48.0 19 10 A C > - 0 0 13 59,-0.4 3,-2.1 3,-0.3 6,-0.2 -0.682 20.4-136.5 -81.5 124.1 5.2 30.9 45.6 20 11 A A G > S+ 0 0 88 -2,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.828 100.9 57.9 -48.3 -41.9 4.2 34.6 45.4 21 12 A S G 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.558 117.2 31.5 -70.5 -10.5 4.5 34.8 41.6 22 13 A C G < + 0 0 2 -3,-2.1 3,-0.4 56,-0.1 -3,-0.3 -0.436 69.8 159.4-147.8 65.8 2.0 32.0 41.1 23 14 A V S < S+ 0 0 94 -3,-0.7 -2,-0.1 1,-0.2 -1,-0.1 0.838 76.0 43.6 -56.0 -44.0 -0.5 32.3 43.9 24 15 A N S S+ 0 0 150 -3,-0.1 -1,-0.2 -6,-0.0 3,-0.1 0.684 93.0 102.8 -81.9 -18.3 -3.3 30.4 42.3 25 16 A A S S- 0 0 13 -3,-0.4 67,-0.1 -6,-0.2 -6,-0.1 -0.124 85.6 -78.0 -66.0 160.3 -1.2 27.5 40.8 26 17 A P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 65,-0.0 -0.266 54.6-107.2 -58.2 141.5 -1.0 24.0 42.3 27 18 A T > - 0 0 29 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.048 26.8-106.3 -64.3 169.8 1.2 23.6 45.3 28 19 A S H > S+ 0 0 1 -13,-0.6 4,-2.2 1,-0.2 5,-0.1 0.916 120.7 46.3 -66.1 -43.8 4.7 21.9 45.3 29 20 A K H > S+ 0 0 81 -14,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.846 109.5 54.7 -69.0 -33.7 3.4 18.8 47.1 30 21 A D H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.963 111.3 44.8 -61.5 -52.0 0.3 18.6 44.9 31 22 A I H X S+ 0 0 9 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.894 112.2 52.5 -57.2 -44.9 2.5 18.6 41.7 32 23 A Y H X S+ 0 0 47 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.887 114.0 42.5 -62.2 -38.4 4.9 16.1 43.3 33 24 A D H < S+ 0 0 98 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.810 117.4 47.6 -77.3 -29.4 2.0 13.7 44.1 34 25 A W H X S+ 0 0 81 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.893 105.5 58.0 -75.5 -44.0 0.4 14.3 40.7 35 26 A L H X S+ 0 0 1 -4,-3.4 4,-2.4 1,-0.2 5,-0.3 0.874 99.2 59.5 -55.1 -43.8 3.5 13.8 38.7 36 27 A Q H X S+ 0 0 59 -4,-1.1 4,-1.8 -5,-0.2 -1,-0.2 0.933 111.0 36.4 -56.4 -53.6 4.1 10.3 40.1 37 28 A P H > S+ 0 0 49 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.917 113.2 60.8 -67.7 -40.9 0.9 8.7 38.9 38 29 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 3,-0.4 0.935 110.9 37.6 -47.9 -57.3 0.9 10.7 35.7 39 30 A L H X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.869 111.1 58.9 -67.4 -38.1 4.2 9.3 34.5 40 31 A K H < S+ 0 0 136 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.803 114.5 40.4 -60.5 -27.5 3.5 5.7 35.8 41 32 A R H < S+ 0 0 160 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.876 121.4 36.9 -89.0 -43.8 0.4 5.8 33.5 42 33 A K H < S+ 0 0 109 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.793 129.0 32.6 -81.8 -29.5 1.7 7.5 30.4 43 34 A Y >< + 0 0 19 -4,-2.8 3,-1.7 -5,-0.3 -1,-0.2 -0.540 68.0 161.4-129.1 68.5 5.2 5.9 30.4 44 35 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 75.8 51.0 -54.5 -35.8 4.6 2.4 32.0 45 36 A N T 3 S+ 0 0 139 -3,-0.1 2,-0.4 2,-0.1 -5,-0.1 0.411 94.4 84.8 -90.0 2.1 7.9 1.1 30.6 46 37 A I S < S- 0 0 15 -3,-1.7 2,-0.5 -7,-0.2 -42,-0.1 -0.841 71.0-138.6-105.2 142.5 10.1 3.9 31.9 47 38 A S - 0 0 53 -2,-0.4 -39,-3.6 -44,-0.4 2,-0.3 -0.874 22.3-177.9-103.2 130.6 11.5 3.9 35.5 48 39 A F E -a 8 0A 29 -2,-0.5 2,-0.4 -41,-0.3 -39,-0.2 -0.927 15.6-155.9-124.4 148.6 11.5 7.1 37.4 49 40 A K E -a 9 0A 116 -41,-2.7 -39,-2.9 -2,-0.3 2,-0.3 -0.997 20.5-146.6-124.1 127.8 12.7 7.9 40.9 50 41 A Y E +a 10 0A 49 -2,-0.4 2,-0.3 -41,-0.2 -39,-0.2 -0.776 18.4 177.0-105.0 143.9 11.1 10.8 42.7 51 42 A T E -a 11 0A 69 -41,-1.9 -39,-2.2 -2,-0.3 2,-0.5 -1.000 14.4-154.0-142.3 140.0 12.6 13.4 45.1 52 43 A Y E -a 12 0A 49 -2,-0.3 2,-0.6 -41,-0.2 -39,-0.2 -0.962 8.5-166.4-117.2 128.1 11.1 16.4 46.8 53 44 A I E -a 13 0A 22 -41,-2.6 -39,-2.7 -2,-0.5 2,-0.8 -0.941 10.4-152.5-120.3 111.7 13.4 19.2 47.9 54 45 A D E > -a 14 0A 13 -2,-0.6 4,-1.1 -41,-0.2 -39,-0.2 -0.727 11.3-147.7 -80.4 111.2 12.0 21.9 50.3 55 46 A I T 4 S+ 0 0 9 -41,-2.9 -1,-0.1 -2,-0.8 -40,-0.1 0.456 96.0 51.3 -62.5 4.7 14.1 25.0 49.5 56 47 A T T 4 S+ 0 0 96 -42,-0.3 -1,-0.2 2,-0.0 -41,-0.1 0.839 96.9 58.0-100.5 -70.3 13.6 25.8 53.2 57 48 A K T 4 0 0 155 1,-0.2 -2,-0.1 0, 0.0 -42,-0.0 0.753 360.0 360.0 -31.1 -52.1 14.5 22.7 55.2 58 49 A D < 0 0 137 -4,-1.1 -1,-0.2 0, 0.0 -3,-0.1 0.473 360.0 360.0 40.4 360.0 18.1 22.6 53.9 59 ! 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 60 53 A L 0 0 128 0, 0.0 2,-0.1 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 133.6 22.3 18.8 48.2 61 54 A T > - 0 0 67 1,-0.1 4,-2.7 0, 0.0 5,-0.3 -0.366 360.0-104.4 -87.1 168.0 24.0 18.4 44.7 62 55 A D H > S+ 0 0 125 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.800 127.7 46.8 -62.5 -24.8 25.7 21.2 42.8 63 56 A H H > S+ 0 0 67 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.891 108.6 50.6 -81.9 -44.4 22.6 21.0 40.7 64 57 A D H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.988 117.2 42.4 -53.6 -58.5 20.1 21.0 43.5 65 58 A L H X S+ 0 0 66 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.855 111.3 58.1 -55.2 -37.5 21.9 24.0 44.9 66 59 A Q H X S+ 0 0 80 -4,-1.0 4,-1.1 -5,-0.3 -1,-0.2 0.889 112.7 37.0 -62.0 -43.4 22.1 25.4 41.4 67 60 A F H X S+ 0 0 5 -4,-2.8 4,-1.8 -3,-0.5 -2,-0.2 0.888 113.0 56.9 -76.4 -41.0 18.3 25.4 40.8 68 61 A I H X S+ 0 0 8 -4,-3.0 4,-2.6 -5,-0.3 -2,-0.2 0.838 104.6 55.7 -57.8 -33.4 17.5 26.4 44.4 69 62 A E H X S+ 0 0 111 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.922 105.8 48.9 -65.6 -45.5 19.7 29.4 43.8 70 63 A R H <>S+ 0 0 85 -4,-1.1 5,-1.8 1,-0.2 6,-1.6 0.817 113.1 48.2 -65.2 -32.0 17.6 30.5 40.8 71 64 A I H ><5S+ 0 0 12 -4,-1.8 3,-2.2 4,-0.2 -2,-0.2 0.938 109.4 52.1 -72.7 -46.7 14.4 30.1 42.7 72 65 A E H 3<5S+ 0 0 118 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.745 109.5 50.0 -62.3 -23.8 15.8 32.1 45.7 73 66 A Q T 3<5S- 0 0 66 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.174 116.7-115.3 -99.3 16.6 16.8 34.9 43.4 74 67 A D T < 5S+ 0 0 117 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.528 85.8 117.3 65.4 6.0 13.3 34.9 41.8 75 68 A E S S-BC 10 86A 7 3,-1.8 3,-1.1 -2,-0.3 -73,-0.2 -0.971 83.9 -11.0-128.4 115.3 14.4 15.3 35.2 84 77 A N T 3 S- 0 0 54 -75,-3.7 -1,-0.1 -2,-0.5 -74,-0.1 0.877 129.8 -58.3 63.4 38.2 18.0 14.1 35.3 85 78 A D T 3 S+ 0 0 63 -76,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.553 109.5 126.1 69.2 11.0 19.0 17.6 36.4 86 79 A E E < -C 83 0A 85 -3,-1.1 -3,-1.8 1,-0.0 -1,-0.2 -0.825 68.2-107.4-101.8 140.0 17.6 19.2 33.3 87 80 A Y E +C 82 0A 100 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.444 47.3 157.6 -65.6 129.5 15.0 22.0 33.6 88 81 A V E - 0 0 15 -7,-2.2 2,-0.3 1,-0.3 -6,-0.2 0.723 59.0 -18.9-116.8 -56.9 11.5 20.9 32.6 89 82 A A E -C 81 0A 0 -8,-1.4 -8,-3.9 4,-0.1 2,-0.3 -0.991 50.0-166.3-158.4 148.2 9.0 23.3 34.2 90 83 A D E -C 80 0A 28 2,-0.3 2,-0.7 -2,-0.3 -10,-0.3 -0.999 59.4 -19.0-141.3 139.4 8.6 25.9 37.0 91 84 A G S S+ 0 0 1 -12,-3.0 2,-0.5 -2,-0.3 -69,-0.1 -0.585 124.9 36.6 76.0-110.6 5.6 27.6 38.7 92 85 A Y S S- 0 0 126 -2,-0.7 2,-0.5 -67,-0.1 -2,-0.3 -0.700 85.5-166.1 -76.6 123.5 2.6 27.3 36.5 93 86 A I - 0 0 29 -2,-0.5 2,-0.3 -4,-0.1 -4,-0.1 -0.959 13.6-158.5-125.2 128.6 3.0 23.8 35.0 94 87 A Q >> - 0 0 134 -2,-0.5 4,-1.1 1,-0.1 3,-0.7 -0.783 23.9-129.9-101.7 145.7 1.1 22.2 32.1 95 88 A T H 3> S+ 0 0 61 -2,-0.3 4,-2.5 1,-0.2 3,-0.2 0.846 108.5 59.2 -57.8 -39.3 0.9 18.5 31.5 96 89 A K H 3> S+ 0 0 112 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.823 98.1 59.2 -61.7 -34.0 2.0 18.9 27.9 97 90 A Q H <> S+ 0 0 70 -3,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.905 110.0 43.1 -61.0 -42.5 5.3 20.4 29.1 98 91 A I H X S+ 0 0 6 -4,-1.1 4,-1.6 -3,-0.2 -2,-0.2 0.943 119.9 41.4 -68.6 -48.9 6.0 17.2 31.1 99 92 A T H X S+ 0 0 11 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.922 113.4 50.7 -68.6 -44.1 4.9 14.9 28.3 100 93 A R H X S+ 0 0 169 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.826 107.7 55.6 -64.1 -29.3 6.5 16.8 25.4 101 94 A F H X S+ 0 0 48 -4,-1.1 4,-1.0 -5,-0.3 -1,-0.2 0.927 116.4 35.7 -67.7 -44.5 9.8 16.9 27.3 102 95 A I H >X S+ 0 0 3 -4,-1.6 4,-2.4 2,-0.2 3,-0.6 0.945 116.5 52.9 -73.4 -49.2 9.8 13.1 27.6 103 96 A D H 3X S+ 0 0 66 -4,-3.6 4,-2.7 1,-0.3 5,-0.2 0.890 104.6 57.0 -52.1 -43.8 8.2 12.3 24.2 104 97 A Q H 3X S+ 0 0 96 -4,-2.0 4,-1.9 -5,-0.3 5,-0.3 0.885 108.9 46.7 -56.1 -40.5 10.9 14.5 22.6 105 98 A K H