==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-JAN-09 3FXE . COMPND 2 MOLECULE: PROTEIN ICMQ; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR S.RAYCHAUDHURY,C.W.AKEY,J.F.HEAD . 104 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A Q 0 0 172 0, 0.0 2,-0.4 0, 0.0 52,-0.2 0.000 360.0 360.0 360.0 -40.9 14.0 8.8 8.5 2 5 A L - 0 0 17 50,-0.8 2,-0.1 4,-0.0 101,-0.1 -0.753 360.0-138.3 -97.0 137.3 12.5 11.8 10.4 3 6 A S > - 0 0 38 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.313 27.8-109.2 -80.5 169.7 10.3 14.4 8.8 4 7 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.869 118.3 53.2 -70.0 -36.6 10.7 18.1 9.8 5 8 A E H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.813 108.9 51.0 -68.8 -28.3 7.4 18.2 11.6 6 9 A Q H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 108.5 50.9 -71.7 -49.4 8.5 15.2 13.7 7 10 A K H X S+ 0 0 21 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.902 113.2 44.2 -54.3 -47.7 11.8 16.8 14.6 8 11 A E H X S+ 0 0 114 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.868 111.8 53.8 -67.9 -35.9 10.3 20.1 15.8 9 12 A T H X S+ 0 0 56 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.6 44.0 -62.9 -44.8 7.5 18.2 17.7 10 13 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.932 113.7 49.4 -66.8 -44.9 10.2 16.2 19.5 11 14 A L H X S+ 0 0 23 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.919 110.0 52.3 -60.3 -43.1 12.4 19.3 20.2 12 15 A K H X S+ 0 0 90 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.874 108.7 50.7 -59.8 -37.9 9.4 21.1 21.5 13 16 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.925 110.2 49.3 -66.1 -44.7 8.6 18.2 23.9 14 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.946 112.9 47.6 -59.6 -49.2 12.2 18.3 25.1 15 18 A N H X S+ 0 0 43 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.943 111.1 49.8 -58.2 -51.2 12.0 22.0 25.7 16 19 A D H X S+ 0 0 53 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.945 113.3 46.9 -53.8 -49.7 8.7 21.9 27.5 17 20 A A H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.888 113.0 48.4 -60.4 -42.3 9.9 19.1 29.8 18 21 A I H < S+ 0 0 26 -4,-2.5 -1,-0.2 -5,-0.2 5,-0.2 0.879 114.3 47.6 -66.6 -36.8 13.2 20.9 30.5 19 22 A E H < S+ 0 0 140 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 120.7 31.9 -73.3 -40.8 11.3 24.2 31.3 20 23 A K H < S+ 0 0 79 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.696 91.3 103.4 -94.6 -20.4 8.6 22.8 33.6 21 24 A G S < S- 0 0 8 -4,-1.9 2,-1.6 -5,-0.3 3,-0.2 -0.269 83.8-108.9 -63.0 153.0 10.3 19.9 35.4 22 25 A P > + 0 0 13 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.157 65.3 144.3 -75.6 41.7 11.5 20.4 39.1 23 26 A W T 3 S+ 0 0 22 -2,-1.6 10,-0.1 1,-0.3 11,-0.1 0.436 70.2 47.0 -63.9 -1.5 15.1 20.4 37.9 24 27 A D T 3 S+ 0 0 103 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.054 86.6 87.9-128.2 23.0 16.0 23.0 40.6 25 28 A K S < S- 0 0 111 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.667 101.6 -1.8 -94.9 -20.5 14.3 21.5 43.6 26 29 A S > - 0 0 36 -4,-0.4 4,-1.4 1,-0.1 -1,-0.2 -0.964 69.7-108.1-159.7 167.6 17.2 19.3 44.7 27 30 A N H > S+ 0 0 130 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.880 120.1 54.3 -69.9 -37.5 20.7 18.3 43.7 28 31 A F H > S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.953 111.9 42.0 -59.3 -51.7 19.4 14.9 42.6 29 32 A L H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.760 107.2 63.8 -68.1 -24.9 16.8 16.4 40.4 30 33 A R H X S+ 0 0 117 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.903 103.9 47.3 -63.5 -42.1 19.3 19.0 39.2 31 34 A V H X S+ 0 0 89 -4,-1.8 4,-2.9 -3,-0.3 5,-0.2 0.946 110.0 51.9 -65.3 -46.8 21.3 16.1 37.7 32 35 A I H X S+ 0 0 12 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.943 110.6 49.9 -53.0 -46.9 18.2 14.6 36.1 33 36 A G H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.923 109.0 50.8 -57.7 -46.5 17.7 18.1 34.6 34 37 A K H X S+ 0 0 138 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.889 108.5 52.3 -59.9 -40.1 21.2 18.2 33.3 35 38 A K H X S+ 0 0 78 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.933 107.9 51.6 -63.1 -41.8 20.8 14.8 31.7 36 39 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.906 110.5 48.5 -60.1 -41.2 17.6 16.0 30.0 37 40 A I H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.848 109.9 52.5 -67.2 -33.3 19.5 19.0 28.7 38 41 A A H X S+ 0 0 56 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.898 107.7 51.9 -69.3 -39.3 22.3 16.7 27.5 39 42 A I H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.923 110.9 47.2 -62.9 -43.8 19.7 14.6 25.6 40 43 A R H X S+ 0 0 52 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.912 109.8 52.8 -64.7 -43.3 18.3 17.6 23.9 41 44 A D H X S+ 0 0 72 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.879 108.7 50.6 -60.4 -37.7 21.8 18.9 22.9 42 45 A R H X S+ 0 0 103 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.918 111.7 47.5 -65.6 -41.4 22.6 15.5 21.4 43 46 A F H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 9,-0.2 0.893 111.0 51.1 -65.3 -42.8 19.3 15.6 19.4 44 47 A L H X S+ 0 0 66 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.873 105.2 57.5 -62.9 -37.3 20.0 19.2 18.2 45 48 A K H < S+ 0 0 156 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.867 109.9 44.5 -62.8 -35.3 23.5 18.1 17.1 46 49 A R H < S+ 0 0 61 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.920 114.4 44.2 -76.7 -46.1 22.0 15.5 14.8 47 50 A I H < 0 0 43 -4,-2.2 -1,-0.2 4,-0.2 -2,-0.2 0.553 360.0 360.0 -77.7 -6.0 19.2 17.4 13.2 48 51 A G < 0 0 93 -4,-1.0 3,-0.2 -5,-0.2 0, 0.0 -0.654 360.0 360.0-114.1 360.0 21.4 20.4 12.7 49 !* 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 50 30 B T 0 0 160 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0-142.8 24.3 11.3 11.4 51 31 B D - 0 0 63 -3,-0.2 -4,-0.2 -5,-0.2 5,-0.1 0.533 360.0 -72.3 65.5 141.9 21.0 13.2 11.7 52 32 B A + 0 0 1 -9,-0.2 -50,-0.8 4,-0.1 2,-0.2 -0.355 53.0 177.5 -68.3 142.3 18.1 12.0 13.8 53 33 B T > - 0 0 43 -52,-0.2 4,-1.3 -2,-0.1 5,-0.1 -0.760 49.3 -93.5-132.5 176.5 16.1 8.9 12.8 54 34 B L H > S+ 0 0 60 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.860 127.1 51.8 -62.0 -34.3 13.2 6.9 14.3 55 35 B G H >> S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 3,-0.7 0.977 105.6 49.5 -66.8 -56.8 15.9 4.7 15.8 56 36 B S H 3> S+ 0 0 8 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.728 106.1 60.5 -56.9 -21.7 18.1 7.4 17.4 57 37 B V H 3X>S+ 0 0 0 -4,-1.3 5,-2.7 2,-0.2 4,-1.1 0.931 112.1 37.3 -70.5 -43.8 14.9 8.8 18.9 58 38 B Y H <<>S+ 0 0 79 -4,-1.3 5,-2.4 -3,-0.7 -2,-0.2 0.915 125.6 38.3 -73.0 -43.3 14.3 5.5 20.7 59 39 B S H <5S+ 0 0 72 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.813 127.8 32.3 -78.9 -31.5 18.0 4.8 21.5 60 40 B E H <5S+ 0 0 42 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.433 136.0 12.5-108.7 0.6 19.0 8.3 22.3 61 41 B I T X5S+ 0 0 2 -4,-1.1 4,-2.7 -5,-0.1 5,-0.3 0.466 123.1 44.6-135.0 -68.6 15.9 9.8 23.8 62 42 B I H > S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.952 114.1 47.0 -57.6 -48.4 17.5 7.3 28.4 65 45 B V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 109.9 54.3 -58.9 -42.2 14.3 9.1 29.7 66 46 B K H X S+ 0 0 112 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.910 109.4 48.8 -57.3 -42.7 12.9 5.7 30.5 67 47 B D H X S+ 0 0 82 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 108.0 53.2 -64.7 -43.2 16.0 5.0 32.6 68 48 B C H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.905 106.9 52.7 -58.8 -43.5 15.7 8.4 34.4 69 49 B I H X S+ 0 0 32 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.916 108.2 50.8 -58.2 -44.5 12.2 7.6 35.4 70 50 B L H X S+ 0 0 80 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.916 112.4 46.7 -60.2 -44.4 13.3 4.2 36.8 71 51 B T H >X S+ 0 0 64 -4,-2.2 4,-1.2 1,-0.2 3,-0.7 0.911 111.1 49.5 -66.6 -43.5 16.0 6.0 38.9 72 52 B V H 3X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 3,-0.4 0.882 104.5 61.6 -63.6 -33.3 13.7 8.7 40.1 73 53 B A H 3X S+ 0 0 46 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.831 100.4 54.3 -59.2 -32.7 11.3 6.0 41.1 74 54 B K H S+ 0 0 131 2,-0.1 4,-2.3 1,-0.1 5,-0.2 0.737 84.3 71.9 -91.5 -27.2 6.3 16.2 45.8 84 64 B D H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.879 93.1 50.3 -57.1 -50.3 9.2 16.9 43.5 85 65 B N H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.871 114.3 45.3 -62.0 -36.9 10.4 13.4 42.6 86 66 B T H > S+ 0 0 82 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.890 110.9 52.6 -74.4 -38.0 6.8 12.3 41.7 87 67 B D H X S+ 0 0 57 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.924 107.6 54.5 -61.2 -40.0 6.3 15.5 39.7 88 68 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.907 106.3 49.5 -58.7 -46.3 9.6 14.7 37.9 89 69 B V H X S+ 0 0 35 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.897 111.1 51.1 -61.1 -39.3 8.3 11.2 36.9 90 70 B E H X S+ 0 0 90 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.953 110.7 47.4 -62.1 -50.8 5.1 12.7 35.6 91 71 B V H X S+ 0 0 8 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.902 114.4 46.9 -57.6 -43.7 7.0 15.3 33.5 92 72 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.830 111.7 50.0 -68.5 -34.9 9.3 12.6 32.1 93 73 B T H X S+ 0 0 71 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.903 110.4 50.9 -69.8 -40.6 6.4 10.2 31.3 94 74 B E H X S+ 0 0 65 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.929 110.0 51.3 -60.2 -44.6 4.7 13.1 29.6 95 75 B L H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.950 111.3 45.5 -58.7 -53.0 7.9 13.7 27.6 96 76 B N H X S+ 0 0 9 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.907 110.0 52.3 -62.1 -42.0 8.2 10.1 26.5 97 77 B T H X S+ 0 0 46 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.900 113.5 46.1 -61.5 -37.4 4.6 9.6 25.5 98 78 B K H X S+ 0 0 42 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.912 114.1 46.8 -70.8 -42.4 4.8 12.8 23.3 99 79 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.908 111.5 51.5 -65.5 -42.1 8.1 11.8 21.7 100 80 B E H X S+ 0 0 63 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.882 111.9 46.4 -63.2 -39.9 6.9 8.3 21.0 101 81 B R H X S+ 0 0 142 -4,-1.7 4,-0.7 -5,-0.2 -1,-0.2 0.913 111.5 51.7 -68.8 -41.6 3.8 9.5 19.3 102 82 B A H < S+ 0 0 11 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.890 113.5 45.3 -61.0 -39.4 5.8 12.1 17.3 103 83 B A H < S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.798 111.0 51.6 -75.3 -30.7 8.1 9.3 16.2 104 84 B X H < 0 0 115 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.488 360.0 360.0 -85.3 -2.1 5.4 6.9 15.3 105 85 B N < 0 0 149 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.2 0.629 360.0 360.0-133.7 360.0 3.6 9.5 13.2