==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-DEC-03 1RQ8 . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.LIU,D.F.WYSS . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 14.6 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 1.0 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 . 11 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.1 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 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A M 0 0 156 0, 0.0 2,-0.2 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 -51.6 -7.5 7.6 0.6 2 2 A L - 0 0 19 82,-0.2 2,-0.3 4,-0.1 71,-0.1 -0.496 360.0-159.3 -82.4 150.7 -9.1 6.2 -2.6 3 3 A T > - 0 0 69 93,-0.2 4,-2.3 -2,-0.2 3,-0.4 -0.764 35.1 -90.4-122.7 168.5 -12.9 5.8 -2.8 4 4 A G H >> S+ 0 0 57 -2,-0.3 4,-1.8 1,-0.2 3,-0.7 0.946 125.0 44.3 -44.2 -68.4 -15.2 3.6 -4.9 5 5 A K H 3> S+ 0 0 128 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.833 112.9 54.2 -52.0 -31.0 -15.7 6.2 -7.8 6 6 A Q H 3> S+ 0 0 24 -3,-0.4 4,-2.4 1,-0.2 5,-0.4 0.898 104.5 54.6 -72.5 -35.9 -11.9 6.9 -7.7 7 7 A K H X S+ 0 0 57 -4,-1.4 4,-1.2 -3,-0.4 3,-0.6 0.883 106.2 60.4 -74.4 -36.6 -8.7 1.9 -16.1 13 13 A L H 3< S+ 0 0 65 -4,-1.2 3,-0.3 1,-0.3 4,-0.2 0.948 110.2 39.7 -57.0 -49.1 -5.8 4.3 -16.1 14 14 A A T 3< S+ 0 0 3 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.590 102.8 76.4 -77.1 -9.1 -3.3 1.6 -14.7 15 15 A H T <4 S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.939 99.1 38.4 -69.1 -45.7 -5.0 -1.1 -16.9 16 16 A N S < S+ 0 0 158 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.1 0.478 106.3 87.3 -84.4 0.9 -3.3 0.0 -20.2 17 17 A I S S- 0 0 72 -3,-0.3 29,-0.0 -4,-0.2 -3,-0.0 -0.479 78.3-115.9 -94.5 169.9 -0.0 0.8 -18.4 18 18 A D - 0 0 128 -2,-0.1 29,-0.3 31,-0.0 2,-0.3 -0.848 21.3-117.4-109.3 146.4 2.8 -1.6 -17.7 19 19 A P - 0 0 30 0, 0.0 29,-0.2 0, 0.0 3,-0.1 -0.557 23.3-176.4 -77.0 136.4 4.1 -2.8 -14.3 20 20 A I S S+ 0 0 90 27,-0.4 2,-0.4 -2,-0.3 28,-0.1 0.634 70.7 58.6-108.5 -16.3 7.8 -1.8 -13.6 21 21 A F - 0 0 3 26,-0.4 28,-2.0 15,-0.1 2,-0.4 -0.914 69.8-166.1-112.0 134.5 8.1 -3.6 -10.2 22 22 A Q E -a 49 0A 111 -2,-0.4 2,-0.3 26,-0.2 28,-0.2 -0.968 10.4-144.9-126.2 129.9 7.5 -7.4 -10.1 23 23 A I E -a 50 0A 1 26,-2.4 28,-0.7 -2,-0.4 5,-0.1 -0.646 23.4-121.4 -88.5 144.8 6.9 -9.6 -6.9 24 24 A G - 0 0 32 -2,-0.3 27,-1.2 26,-0.1 -1,-0.1 0.123 33.6 -97.5 -67.4-166.1 8.3 -13.1 -6.9 25 25 A K S S+ 0 0 142 1,-0.2 -1,-0.1 25,-0.1 3,-0.1 0.739 111.9 78.6 -90.3 -22.4 5.9 -16.1 -6.4 26 26 A G S S- 0 0 78 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.909 109.8-105.0 -51.9 -40.8 6.6 -16.4 -2.6 27 27 A G S S- 0 0 11 -3,-0.1 2,-0.7 2,-0.0 24,-0.3 -0.962 71.8 -7.5 151.8-129.9 4.2 -13.5 -2.1 28 28 A I - 0 0 39 -2,-0.3 2,-0.4 -5,-0.1 3,-0.1 -0.870 62.3-169.6-104.1 116.9 5.1 -9.8 -1.3 29 29 A N >> - 0 0 93 -2,-0.7 4,-2.1 1,-0.1 3,-0.5 -0.863 25.1-137.9-105.9 135.7 8.7 -9.2 -0.5 30 30 A E H 3> S+ 0 0 126 -2,-0.4 4,-4.0 1,-0.2 5,-0.3 0.929 105.5 62.7 -56.6 -41.7 9.9 -5.9 1.0 31 31 A N H 3> S+ 0 0 120 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.930 106.7 45.2 -50.1 -41.5 13.0 -6.0 -1.4 32 32 A M H <> S+ 0 0 64 -3,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.910 114.2 48.1 -69.5 -37.7 10.4 -5.9 -4.2 33 33 A I H X S+ 0 0 16 -4,-2.1 4,-4.5 2,-0.2 5,-0.3 0.858 99.0 68.3 -71.5 -30.0 8.5 -3.1 -2.3 34 34 A K H X S+ 0 0 110 -4,-4.0 4,-1.4 -5,-0.2 -1,-0.2 0.945 110.6 35.4 -53.4 -42.4 11.8 -1.3 -1.8 35 35 A Q H X S+ 0 0 131 -4,-1.2 4,-3.1 -5,-0.3 5,-0.2 0.954 117.5 51.0 -75.8 -49.4 11.8 -0.7 -5.5 36 36 A I H X>S+ 0 0 0 -4,-2.6 4,-4.1 1,-0.2 5,-0.6 0.922 105.3 60.8 -52.8 -42.4 8.0 -0.3 -5.8 37 37 A D H X5S+ 0 0 56 -4,-4.5 4,-2.5 1,-0.2 -1,-0.2 0.961 112.6 34.0 -50.7 -57.8 8.3 2.3 -3.0 38 38 A D H X5S+ 0 0 107 -4,-1.4 4,-1.0 -5,-0.3 -1,-0.2 0.900 119.5 54.2 -67.5 -37.5 10.6 4.6 -5.0 39 39 A T H X5S+ 0 0 33 -4,-3.1 4,-1.7 1,-0.2 3,-0.5 0.967 117.9 33.1 -61.7 -52.7 8.8 3.6 -8.2 40 40 A L H <5S+ 0 0 6 -4,-4.1 -2,-0.2 -5,-0.2 -1,-0.2 0.856 110.4 65.5 -74.3 -32.4 5.3 4.5 -6.9 41 41 A E H < - 0 0 103 -2,-3.6 4,-1.0 -3,-0.1 -2,-0.1 -0.247 68.6-146.9 -59.0 148.3 -3.5 -17.7 -7.0 55 55 A F H > S+ 0 0 145 2,-0.2 4,-1.4 3,-0.1 -1,-0.1 0.948 95.4 40.4 -84.3 -55.7 -6.3 -15.2 -7.7 56 56 A D H > S+ 0 0 135 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.773 117.0 53.9 -66.1 -20.1 -7.9 -14.8 -4.3 57 57 A D H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 99.6 58.5 -80.0 -41.7 -4.5 -14.8 -2.7 58 58 A K H X S+ 0 0 3 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.899 105.0 53.3 -55.0 -36.7 -3.1 -12.0 -5.0 59 59 A K H >X S+ 0 0 134 -4,-1.4 4,-1.1 1,-0.2 3,-0.6 0.962 104.3 53.6 -64.3 -47.4 -5.9 -9.9 -3.5 60 60 A E H >X S+ 0 0 126 -4,-1.3 3,-1.1 1,-0.3 4,-1.1 0.922 102.2 59.9 -53.9 -40.8 -4.8 -10.7 0.1 61 61 A L H >X S+ 0 0 15 -4,-2.3 4,-4.4 1,-0.3 3,-1.1 0.927 96.4 59.8 -55.6 -40.6 -1.3 -9.5 -0.9 62 62 A A H S+ 0 0 5 -4,-1.4 4,-2.9 -3,-0.6 5,-0.9 0.868 95.2 64.2 -57.1 -29.3 -2.8 -6.1 -1.7 63 63 A E H S+ 0 0 12 -4,-2.9 5,-1.3 -5,-0.2 4,-0.6 0.955 116.5 47.7 -59.9 -48.9 -1.8 -1.5 -0.3 67 67 A E H < -C 80 0A 42 3,-3.2 3,-3.1 -2,-0.5 2,-0.1 -0.833 54.4 -77.8-110.3 99.7 -5.6 -7.8 -13.1 78 78 A G T 3 S- 0 0 27 -2,-0.7 -28,-0.1 1,-0.3 -1,-0.1 -0.242 121.4 -1.7 49.5-114.9 -4.6 -11.5 -13.0 79 79 A S T 3 S+ 0 0 43 -30,-0.1 -29,-1.7 -3,-0.1 2,-0.4 0.263 126.6 83.3 -88.1 15.5 -0.9 -11.3 -12.0 80 80 A M E < -BC 49 77A 66 -3,-3.1 -3,-3.2 -31,-0.3 2,-0.5 -0.948 65.0-152.0-121.1 139.1 -1.0 -7.5 -12.0 81 81 A I E -BC 48 76A 0 -33,-4.1 -33,-2.8 -2,-0.4 2,-0.7 -0.900 6.2-150.6-110.8 134.2 -2.2 -5.3 -9.1 82 82 A V E +BC 47 75A 2 -7,-4.2 -7,-2.5 -2,-0.5 -8,-1.2 -0.876 29.3 159.0-105.6 110.8 -3.7 -1.8 -9.8 83 83 A I E -BC 46 73A 0 -37,-2.6 -37,-2.6 -2,-0.7 2,-0.5 -0.929 32.3-143.0-131.1 156.9 -3.1 0.7 -6.9 84 84 A Y E -BC 45 72A 4 -12,-1.9 -12,-1.5 -2,-0.3 -39,-0.2 -0.928 15.8-149.3-122.5 111.6 -3.1 4.5 -6.6 85 85 A R E - C 0 71A 5 -41,-1.4 -14,-0.2 -2,-0.5 3,-0.1 -0.526 38.5 -86.1 -78.2 142.9 -0.5 6.0 -4.2 86 86 A E - 0 0 42 -16,-1.0 2,-0.3 -2,-0.2 -1,-0.1 0.220 54.4 -91.6 -37.2 169.4 -1.6 9.3 -2.4 87 87 A S + 0 0 74 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.684 60.4 139.5 -92.7 145.0 -1.0 12.6 -4.3 88 88 A K + 0 0 134 1,-0.4 2,-0.6 -2,-0.3 -1,-0.2 0.376 67.7 47.7-146.7 -48.0 2.2 14.5 -3.9 89 89 A E S S- 0 0 121 -47,-0.1 2,-2.3 -46,-0.1 -1,-0.4 -0.888 92.6-114.3-104.7 123.3 3.2 15.8 -7.3 90 90 A N + 0 0 173 -2,-0.6 2,-0.2 -3,-0.1 -3,-0.0 -0.264 53.8 164.1 -57.3 81.3 0.4 17.5 -9.2 91 91 A K - 0 0 127 -2,-2.3 2,-3.1 1,-0.1 -48,-0.0 -0.629 58.6 -86.0 -96.7 158.2 0.2 14.9 -12.0 92 92 A E S S+ 0 0 176 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.320 76.5 153.6 -64.7 75.7 -2.8 14.7 -14.3 93 93 A I - 0 0 48 -2,-3.1 2,-0.3 2,-0.0 -83,-0.0 -0.867 33.3-150.4-109.3 142.2 -4.6 12.4 -11.8 94 94 A E + 0 0 51 -2,-0.4 -84,-0.1 -88,-0.1 -2,-0.0 -0.808 25.7 155.3-108.1 151.9 -8.4 12.1 -11.5 95 95 A L 0 0 57 -2,-0.3 -89,-0.2 -86,-0.1 -90,-0.1 -0.124 360.0 360.0-173.1 65.5 -10.2 11.2 -8.3 96 96 A P 0 0 69 0, 0.0 -93,-0.2 0, 0.0 -87,-0.1 -0.295 360.0 360.0 -69.0 360.0 -13.8 12.4 -8.0