==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 22-AUG-13 2MCQ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN RP812; . SOURCE 2 ORGANISM_SCIENTIFIC: RICKETTSIA PROWAZEKII; . AUTHOR Y.CHEN,R.BARNWAL,F.YANG,G.VARANI,SEATTLE STRUCTURAL GENOMICS . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 6.5 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 . 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 . 7 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 20.8 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+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 1 0 1 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 164 0, 0.0 3,-0.1 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 117.8 2.1 -0.0 -1.2 2 2 A A + 0 0 90 1,-0.1 3,-0.1 2,-0.0 0, 0.0 0.779 360.0 178.5 57.2 26.8 2.5 -3.3 -3.2 3 3 A I - 0 0 75 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.193 37.6 -83.0 -59.4 151.9 0.7 -4.9 -0.3 4 4 A S >> - 0 0 77 1,-0.1 3,-1.1 -3,-0.1 4,-0.7 -0.136 32.2-123.0 -54.8 151.3 -0.0 -8.7 -0.5 5 5 A A H 3> S+ 0 0 29 1,-0.3 4,-0.5 2,-0.2 3,-0.3 0.749 110.5 66.3 -68.7 -23.9 -3.1 -9.7 -2.5 6 6 A E H 34 S+ 0 0 131 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.709 99.9 51.3 -70.0 -19.9 -4.3 -11.5 0.6 7 7 A E H X> S+ 0 0 66 -3,-1.1 4,-1.0 1,-0.2 3,-0.5 0.705 87.5 81.1 -88.2 -23.3 -4.7 -8.2 2.3 8 8 A L H 3X S+ 0 0 26 -4,-0.7 4,-1.2 -3,-0.3 3,-0.4 0.826 92.3 52.5 -51.2 -33.4 -6.7 -6.7 -0.6 9 9 A E H 3X S+ 0 0 74 -4,-0.5 4,-1.5 1,-0.2 -1,-0.3 0.882 95.1 67.1 -71.1 -39.6 -9.7 -8.4 0.9 10 10 A K H <4 S+ 0 0 121 -3,-0.5 4,-0.3 -4,-0.4 -1,-0.2 0.798 104.3 47.5 -51.1 -29.8 -9.1 -6.9 4.4 11 11 A I H >< S+ 0 0 10 -4,-1.0 3,-1.8 -3,-0.4 4,-0.4 0.905 106.0 54.0 -78.9 -45.0 -10.0 -3.6 2.7 12 12 A L H 3X S+ 0 0 4 -4,-1.2 4,-2.4 1,-0.3 3,-0.5 0.678 97.6 69.8 -63.3 -16.2 -13.1 -4.8 0.9 13 13 A K T 3< S+ 0 0 87 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.759 77.9 79.1 -72.7 -25.2 -14.3 -6.0 4.4 14 14 A K T <4 S+ 0 0 112 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.897 120.9 6.1 -48.4 -46.4 -14.7 -2.4 5.5 15 15 A S T 4 S+ 0 0 53 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.625 145.6 36.8-110.7 -24.1 -18.0 -2.2 3.6 16 16 A F < + 0 0 11 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 -0.629 62.8 150.2-132.7 74.9 -18.3 -5.9 2.6 17 17 A P S S+ 0 0 65 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.944 80.0 43.6 -69.9 -50.4 -16.9 -8.1 5.4 18 18 A S S S+ 0 0 106 -5,-0.1 -5,-0.1 2,-0.1 -2,-0.1 0.771 94.1 108.4 -67.0 -25.9 -19.1 -11.1 4.7 19 19 A S S S- 0 0 7 -7,-0.2 2,-0.8 1,-0.1 20,-0.2 -0.077 78.4-115.5 -50.8 152.1 -18.5 -10.7 1.0 20 20 A V - 0 0 79 18,-2.2 18,-0.5 2,-0.0 2,-0.4 -0.826 32.7-168.7 -98.9 104.5 -16.2 -13.3 -0.6 21 21 A I + 0 0 20 -2,-0.8 2,-0.3 16,-0.2 16,-0.2 -0.787 12.7 165.4 -96.0 132.5 -13.0 -11.6 -1.9 22 22 A K E -A 36 0A 125 14,-0.9 14,-1.3 -2,-0.4 2,-0.4 -0.989 22.0-148.6-148.6 136.3 -10.7 -13.6 -4.2 23 23 A I E -A 35 0A 38 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.836 14.6-175.3-107.4 143.3 -7.7 -12.6 -6.4 24 24 A T E -A 34 0A 56 10,-1.0 10,-2.2 -2,-0.4 2,-0.4 -0.999 23.5-125.1-139.4 140.5 -6.7 -14.3 -9.6 25 25 A D E +A 33 0A 119 -2,-0.4 8,-0.1 8,-0.2 -2,-0.0 -0.707 25.2 173.6 -87.0 129.2 -3.8 -13.9 -12.0 26 26 A L S S+ 0 0 114 6,-0.7 -1,-0.2 -2,-0.4 7,-0.1 0.791 86.6 5.1-100.4 -39.6 -4.7 -13.2 -15.7 27 27 A V S S- 0 0 73 5,-0.4 -2,-0.1 3,-0.2 6,-0.1 0.616 79.1-149.7-116.6 -26.8 -1.3 -12.5 -17.1 28 28 A G S S+ 0 0 52 4,-0.4 3,-0.1 2,-0.1 -3,-0.1 0.841 79.2 78.6 56.8 34.5 1.0 -13.2 -14.1 29 29 A D S S+ 0 0 151 1,-0.3 -1,-0.1 3,-0.1 2,-0.1 0.554 88.2 31.8-132.3 -58.3 3.4 -10.6 -15.4 30 30 A Q S S- 0 0 135 2,-0.1 2,-2.5 1,-0.1 -1,-0.3 -0.306 103.7 -72.2 -97.9-175.7 2.3 -7.1 -14.7 31 31 A D S S+ 0 0 138 -2,-0.1 2,-0.6 -3,-0.1 37,-0.1 -0.393 79.9 138.5 -77.6 64.6 0.3 -5.6 -11.8 32 32 A H + 0 0 57 -2,-2.5 -6,-0.7 37,-0.1 2,-0.5 -0.887 25.7 177.0-116.7 101.2 -3.0 -7.1 -13.0 33 33 A Y E -A 25 0A 108 -2,-0.6 37,-1.0 35,-0.2 2,-1.0 -0.900 22.8-143.0-107.9 127.8 -5.1 -8.5 -10.1 34 34 A A E -Ab 24 70A 11 -10,-2.2 -10,-1.0 -2,-0.5 2,-0.3 -0.765 19.0-157.0 -91.6 101.7 -8.5 -10.0 -10.8 35 35 A L E -Ab 23 71A 7 35,-3.3 37,-3.3 -2,-1.0 2,-0.4 -0.572 7.4-168.0 -79.9 139.1 -10.8 -9.1 -7.9 36 36 A E E -Ab 22 72A 54 -14,-1.3 -14,-0.9 -2,-0.3 2,-0.4 -0.922 4.0-175.4-133.3 108.3 -13.8 -11.3 -7.3 37 37 A I E - b 0 73A 0 35,-2.0 37,-1.7 -2,-0.4 2,-0.4 -0.867 1.1-176.8-106.3 135.0 -16.6 -10.1 -4.9 38 38 A S E + b 0 74A 19 -18,-0.5 -18,-2.2 -2,-0.4 2,-0.3 -0.986 26.2 107.5-134.8 124.6 -19.6 -12.3 -4.0 39 39 A D E - b 0 75A 8 35,-1.4 37,-0.8 -2,-0.4 3,-0.2 -0.956 69.2 -98.2-171.5-175.4 -22.5 -11.3 -1.8 40 40 A A S S+ 0 0 80 -2,-0.3 3,-0.1 35,-0.2 35,-0.1 0.021 104.8 74.2-110.3 24.9 -26.2 -10.4 -1.6 41 41 A Q S S+ 0 0 93 1,-0.1 -1,-0.1 3,-0.0 4,-0.1 0.550 82.5 65.4-109.9 -15.6 -25.6 -6.7 -1.5 42 42 A F S S+ 0 0 5 32,-0.2 2,-0.6 -3,-0.2 -1,-0.1 0.057 74.1 122.5 -95.2 24.4 -24.6 -6.2 -5.2 43 43 A N S S+ 0 0 84 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.789 78.1 9.6 -92.5 120.8 -28.1 -7.2 -6.3 44 44 A G S S+ 0 0 86 -2,-0.6 -1,-0.2 1,-0.4 -2,-0.1 0.060 99.5 118.4 103.0 -24.7 -29.9 -4.6 -8.5 45 45 A L - 0 0 56 1,-0.1 -1,-0.4 -4,-0.1 2,-0.2 -0.215 62.6-115.3 -71.1 165.3 -26.8 -2.4 -8.9 46 46 A S > - 0 0 59 -3,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.563 28.0-102.0-100.2 165.9 -25.3 -1.7 -12.3 47 47 A L H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.767 126.1 49.2 -56.0 -25.4 -21.9 -2.6 -13.6 48 48 A I H > S+ 0 0 114 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.874 111.6 45.7 -81.6 -41.0 -20.9 1.0 -12.9 49 49 A N H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.891 114.2 48.8 -69.1 -40.5 -22.2 1.1 -9.3 50 50 A Q H X S+ 0 0 15 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.883 115.2 44.1 -66.7 -39.5 -20.6 -2.3 -8.5 51 51 A H H X S+ 0 0 78 -4,-1.1 4,-0.5 -5,-0.3 -1,-0.2 0.777 117.5 46.6 -75.7 -27.5 -17.3 -1.2 -9.9 52 52 A K H >X S+ 0 0 120 -4,-1.6 4,-2.1 2,-0.2 3,-0.5 0.883 104.8 59.4 -80.7 -42.0 -17.6 2.2 -8.2 53 53 A L H >X S+ 0 0 52 -4,-3.0 4,-3.1 1,-0.3 3,-0.5 0.943 102.7 52.1 -51.1 -55.1 -18.6 0.8 -4.8 54 54 A V H 3< S+ 0 0 2 -4,-1.3 4,-0.3 1,-0.3 -1,-0.3 0.824 113.2 46.5 -52.1 -33.3 -15.4 -1.2 -4.5 55 55 A K H << S+ 0 0 61 -4,-0.5 4,-0.4 -3,-0.5 3,-0.3 0.782 112.5 49.4 -80.2 -28.9 -13.5 2.0 -5.2 56 56 A N H S+ 0 0 21 -3,-0.3 4,-0.7 -5,-0.3 -1,-0.3 0.412 107.2 70.8-118.1 -5.4 -11.5 2.3 -0.1 59 59 A S T 4 S+ 0 0 74 -3,-0.4 -2,-0.2 -4,-0.4 -3,-0.1 0.469 103.4 44.0 -90.1 -3.4 -11.9 6.0 -1.2 60 60 A E T < S+ 0 0 123 -4,-0.7 -2,-0.1 -5,-0.1 -3,-0.1 0.783 125.1 27.8-105.8 -44.3 -13.2 6.9 2.3 61 61 A I T 4 S- 0 0 69 -4,-0.3 -2,-0.1 -5,-0.2 -3,-0.1 0.659 90.8-142.8 -91.9 -19.7 -10.9 5.1 4.6 62 62 A L < + 0 0 100 -4,-0.7 -3,-0.1 1,-0.1 -4,-0.1 0.883 41.6 157.2 57.8 40.3 -8.0 5.1 2.2 63 63 A N + 0 0 66 -6,-0.2 2,-0.3 -5,-0.1 -5,-0.1 0.948 64.4 24.4 -59.6 -51.4 -6.9 1.6 3.3 64 64 A K S S- 0 0 39 -6,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.834 93.7 -96.7-117.0 155.5 -5.0 0.9 0.1 65 65 A K - 0 0 126 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.013 48.9 -89.9 -59.3 172.7 -3.4 3.2 -2.5 66 66 A L + 0 0 125 -4,-0.1 2,-0.2 -7,-0.0 -1,-0.1 -0.807 64.1 143.1 -94.1 115.0 -5.2 4.2 -5.7 67 67 A H - 0 0 99 -2,-0.7 2,-0.5 -3,-0.1 -3,-0.0 -0.780 46.7-105.5-138.3-178.3 -4.6 1.8 -8.5 68 68 A S + 0 0 112 -2,-0.2 2,-0.3 -37,-0.1 -35,-0.2 -0.967 47.0 141.8-120.7 124.8 -6.3 0.1 -11.5 69 69 A I - 0 0 39 -2,-0.5 2,-0.4 -37,-0.1 -35,-0.1 -0.948 52.2 -82.6-151.6 169.5 -7.4 -3.5 -11.6 70 70 A S E -b 34 0A 48 -37,-1.0 -35,-3.3 -2,-0.3 2,-0.6 -0.639 36.2-165.9 -81.8 130.5 -10.2 -5.8 -12.8 71 71 A I E -b 35 0A 11 -2,-0.4 2,-0.3 -37,-0.2 -35,-0.2 -0.893 3.4-163.4-121.9 101.7 -13.2 -6.0 -10.5 72 72 A K E -b 36 0A 112 -37,-3.3 -35,-2.0 -2,-0.6 2,-0.5 -0.646 10.3-143.0 -85.2 137.5 -15.6 -8.9 -11.2 73 73 A T E +b 37 0A 43 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.1 -0.868 19.6 179.9-104.6 130.9 -19.1 -8.8 -9.7 74 74 A I E -b 38 0A 39 -37,-1.7 -35,-1.4 -2,-0.5 2,-0.3 -0.995 2.0-176.2-133.4 133.2 -20.8 -11.9 -8.4 75 75 A S E +b 39 0A 53 -2,-0.4 -35,-0.2 1,-0.2 -37,-0.0 -0.883 58.6 29.0-126.1 157.7 -24.3 -12.3 -6.9 76 76 A I 0 0 121 -37,-0.8 -1,-0.2 -2,-0.3 -36,-0.1 0.996 360.0 360.0 58.0 73.7 -26.2 -15.1 -5.4 77 77 A P 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.801 360.0 360.0 -69.7 360.0 -23.4 -17.3 -4.0