==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 06-MAY-09 2KIL . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR W.K.ERBIL . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 78.5 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 . 20 11.0 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 . 1 0.6 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 . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.3 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 1 0 0 0 0 0 1 0 0 1 1 1 0 0 0 2 0 0 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 1 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 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 0 146 0, 0.0 36,-0.2 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0-138.2 -11.1 1.3 15.5 2 2 A K - 0 0 64 34,-0.7 35,-0.2 5,-0.1 36,-0.2 0.971 360.0 -15.4 56.2 86.9 -14.0 0.8 13.1 3 3 A G S > S- 0 0 1 34,-0.9 4,-3.1 3,-0.2 35,-0.3 0.802 72.7-119.7 56.5 117.2 -12.7 -1.7 10.6 4 4 A I H > S+ 0 0 23 33,-0.4 4,-2.4 2,-0.2 5,-0.2 0.893 116.5 47.1 -52.2 -42.0 -8.9 -2.1 10.6 5 5 A I H > S+ 0 0 31 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.959 117.8 40.1 -64.4 -51.4 -8.8 -0.9 7.0 6 6 A F H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.732 112.5 61.0 -69.1 -22.3 -11.2 2.0 7.7 7 7 A N H X S+ 0 0 39 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.964 106.1 41.4 -69.6 -54.1 -9.3 2.6 10.9 8 8 A V H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.874 119.4 48.1 -61.7 -35.8 -5.9 3.3 9.4 9 9 A L H X S+ 0 0 7 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.915 104.9 57.7 -71.0 -43.3 -7.6 5.4 6.7 10 10 A E H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.927 109.2 47.0 -51.9 -46.1 -9.7 7.3 9.3 11 11 A D H X S+ 0 0 105 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.933 108.2 54.6 -61.3 -48.2 -6.4 8.4 10.9 12 12 A M H >X S+ 0 0 28 -4,-1.9 4,-1.5 1,-0.2 3,-0.5 0.896 110.5 46.5 -53.8 -43.0 -4.9 9.3 7.6 13 13 A V H 3X>S+ 0 0 3 -4,-2.6 5,-3.5 1,-0.2 4,-0.9 0.869 104.7 60.4 -69.1 -35.3 -7.8 11.6 6.9 14 14 A V H 3<5S+ 0 0 57 -4,-2.0 5,-0.4 -5,-0.3 -1,-0.2 0.765 109.1 45.7 -62.0 -23.4 -7.6 13.1 10.4 15 15 A A H <<5S+ 0 0 73 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.795 121.9 34.5 -87.2 -34.4 -4.2 14.2 9.4 16 16 A Q H <5S- 0 0 112 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.953 141.9 -1.4 -84.7 -76.6 -5.1 15.5 5.9 17 17 A C T <5S- 0 0 47 -4,-0.9 4,-0.2 1,-0.2 -3,-0.2 0.678 107.5-123.4 -91.7 -19.8 -8.5 17.1 5.9 18 18 A G >< - 0 0 16 -5,-3.5 4,-1.7 -6,-0.2 -1,-0.2 -0.331 29.8 -65.7 103.0 174.0 -9.2 16.3 9.6 19 19 A M H > S+ 0 0 104 -5,-0.4 4,-2.1 1,-0.2 5,-0.2 0.777 125.1 66.0 -68.7 -29.8 -11.7 14.4 11.6 20 20 A S H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.896 106.6 39.0 -62.1 -41.7 -14.4 17.0 10.6 21 21 A V H > S+ 0 0 20 -4,-0.2 4,-2.2 -3,-0.2 5,-0.5 0.888 109.8 61.1 -76.5 -37.8 -14.3 16.0 6.9 22 22 A W H X S+ 0 0 7 -4,-1.7 4,-1.3 1,-0.3 -2,-0.2 0.915 109.4 43.0 -51.8 -45.2 -14.0 12.3 7.8 23 23 A N H X S+ 0 0 64 -4,-2.1 4,-2.4 3,-0.2 -1,-0.3 0.768 109.3 59.8 -71.7 -29.3 -17.3 12.6 9.6 24 24 A E H X S+ 0 0 99 -4,-1.0 4,-0.7 2,-0.2 -2,-0.2 0.946 115.2 30.1 -67.5 -50.5 -18.8 14.7 6.7 25 25 A L H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 5,-0.4 0.744 123.1 52.9 -81.3 -22.9 -18.4 12.2 3.9 26 26 A L H < S+ 0 0 23 -4,-1.3 -2,-0.2 -5,-0.5 -3,-0.2 0.968 110.3 43.3 -74.3 -56.0 -18.8 9.3 6.3 27 27 A E H < S+ 0 0 93 -4,-2.4 5,-0.2 1,-0.2 -1,-0.2 0.754 117.0 50.7 -61.6 -23.0 -22.0 10.3 7.9 28 28 A K H < S+ 0 0 149 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.860 131.7 13.3 -81.3 -38.3 -23.2 11.1 4.4 29 29 A H S < S+ 0 0 96 -4,-1.7 -3,-0.2 2,-0.1 -2,-0.2 0.839 123.5 47.8 -99.6 -77.9 -22.2 7.7 3.0 30 30 A A S S- 0 0 33 -5,-0.4 2,-0.1 1,-0.1 -1,-0.0 -0.195 99.0 -87.7 -64.1 160.1 -21.4 5.2 5.8 31 31 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.413 23.8-157.3 -71.4 144.1 -23.9 4.9 8.7 32 32 A K S S+ 0 0 147 -5,-0.2 -5,-0.1 -2,-0.1 -2,-0.0 0.627 93.4 44.9 -93.6 -18.2 -23.6 7.1 11.8 33 33 A D S S+ 0 0 114 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.903 97.7 73.9 -90.2 -52.5 -25.5 4.7 14.0 34 34 A R - 0 0 167 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.445 66.4-166.3 -67.1 132.4 -23.9 1.4 13.1 35 35 A V - 0 0 109 -2,-0.2 2,-0.2 -33,-0.0 -3,-0.1 -0.978 3.2-166.8-125.6 134.6 -20.4 1.0 14.5 36 36 A Y - 0 0 90 -2,-0.4 -34,-0.7 4,-0.1 2,-0.3 -0.507 11.0-132.3-109.5 179.7 -17.8 -1.6 13.6 37 37 A V > - 0 0 68 -35,-0.2 3,-1.3 -36,-0.2 -34,-0.9 -0.826 34.5 -96.9-129.4 167.8 -14.5 -2.8 15.1 38 38 A S T 3 S+ 0 0 43 -35,-0.3 4,-0.1 -2,-0.3 3,-0.0 0.087 126.0 41.3 -73.9 28.9 -10.9 -3.5 13.8 39 39 A A T 3 S+ 0 0 77 -2,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.348 96.4 90.8-149.1 -8.9 -12.0 -7.2 13.5 40 40 A K S < S- 0 0 132 -3,-1.3 -36,-0.2 1,-0.2 -4,-0.1 -0.216 92.5 -51.3 -85.6-179.7 -15.5 -7.0 12.2 41 41 A S - 0 0 80 1,-0.1 -1,-0.2 -38,-0.1 -4,-0.2 -0.002 48.1-169.8 -47.2 157.9 -16.6 -7.1 8.5 42 42 A Y - 0 0 94 -3,-0.1 2,-0.4 -39,-0.1 -1,-0.1 -0.321 4.7-164.3-154.3 61.7 -14.9 -4.6 6.2 43 43 A A >> - 0 0 52 1,-0.2 3,-1.3 2,-0.1 4,-0.6 -0.314 4.3-161.8 -53.4 105.0 -16.6 -4.5 2.8 44 44 A E H 3> S+ 0 0 50 -2,-0.4 4,-1.6 1,-0.3 3,-0.4 0.727 79.0 84.7 -63.5 -20.5 -14.0 -2.7 0.8 45 45 A S H 3> S+ 0 0 72 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.871 92.0 45.8 -49.0 -41.0 -16.8 -2.0 -1.7 46 46 A E H X> S+ 0 0 96 -3,-1.3 4,-1.6 1,-0.2 3,-0.7 0.832 101.8 67.8 -72.7 -32.8 -17.6 1.0 0.4 47 47 A L H >X S+ 0 0 10 -4,-0.6 4,-2.9 -3,-0.4 3,-1.3 0.952 89.8 61.8 -50.0 -58.3 -14.0 2.1 0.6 48 48 A F H 3X S+ 0 0 67 -4,-1.6 4,-0.9 1,-0.3 -1,-0.2 0.825 107.2 45.3 -37.7 -44.1 -13.7 2.9 -3.0 49 49 A S H S+ 0 0 1 -4,-1.1 5,-2.2 -5,-0.4 4,-1.0 0.900 103.0 53.0 -59.6 -39.6 -9.8 12.4 -3.1 56 56 A Q H <5S+ 0 0 131 -4,-2.4 -1,-0.3 -3,-0.2 -2,-0.2 0.850 110.4 49.1 -63.6 -31.9 -12.3 14.9 -4.4 57 57 A R H <5S+ 0 0 110 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.898 114.5 41.9 -74.3 -41.3 -11.4 17.0 -1.3 58 58 A L H <5S- 0 0 48 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.559 107.8-130.1 -81.0 -6.4 -7.6 16.7 -1.8 59 59 A N T <5 + 0 0 136 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.930 63.8 132.4 56.1 47.8 -8.3 17.2 -5.5 60 60 A M < - 0 0 103 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.939 66.5 -91.8-126.5 149.0 -6.2 14.2 -6.3 61 61 A P >> - 0 0 74 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.361 33.8-122.3 -63.1 135.8 -7.0 11.2 -8.6 62 62 A I H 3> S+ 0 0 66 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.745 112.2 60.0 -49.1 -28.3 -8.7 8.3 -6.8 63 63 A Q H 3> S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.836 104.0 48.1 -71.8 -34.5 -5.8 6.1 -8.0 64 64 A D H <> S+ 0 0 75 -3,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.827 113.1 48.2 -76.0 -31.8 -3.2 8.2 -6.2 65 65 A V H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.976 111.9 46.6 -71.8 -56.2 -5.1 8.3 -3.0 66 66 A V H X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.905 109.5 56.7 -51.6 -44.4 -5.9 4.6 -2.8 67 67 A K H >X S+ 0 0 78 -4,-1.6 4,-1.2 -5,-0.2 3,-0.6 0.938 108.4 47.1 -52.3 -50.5 -2.2 3.9 -3.6 68 68 A A H >X S+ 0 0 33 -4,-1.6 4,-1.9 1,-0.2 3,-1.0 0.963 104.7 58.0 -56.1 -57.4 -1.2 5.9 -0.6 69 69 A F H 3X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.780 101.1 60.7 -45.5 -29.7 -3.6 4.3 1.7 70 70 A G H X S+ 0 0 67 -4,-1.6 3,-0.7 2,-0.2 4,-0.5 0.994 111.8 39.0 -58.1 -71.3 2.5 0.5 8.5 76 76 A G H >X S+ 0 0 30 -4,-2.0 3,-1.7 1,-0.3 4,-1.1 0.860 113.6 58.0 -49.1 -41.8 -0.3 0.5 11.1 77 77 A L H >X S+ 0 0 47 -4,-1.6 4,-1.4 -5,-0.3 3,-0.5 0.909 91.9 66.6 -58.4 -43.4 -0.8 -3.2 10.4 78 78 A A H << S+ 0 0 9 -4,-2.0 -1,-0.3 -3,-0.7 7,-0.2 0.729 103.3 50.8 -51.7 -17.6 2.8 -4.0 11.4 79 79 A S H X< S+ 0 0 70 -3,-1.7 3,-0.6 -4,-0.5 -1,-0.3 0.859 112.5 43.8 -85.7 -40.9 1.6 -2.9 14.8 80 80 A R H << S+ 0 0 152 -4,-1.1 3,-0.4 -3,-0.5 2,-0.2 1.000 129.5 22.9 -65.4 -73.0 -1.5 -5.1 14.9 81 81 A H T >X S+ 0 0 48 -4,-1.4 4,-1.3 1,-0.2 3,-1.2 -0.122 83.8 136.9 -87.8 36.9 -0.1 -8.4 13.6 82 82 A T H X> + 0 0 59 -3,-0.6 4,-2.7 1,-0.3 3,-1.1 0.914 67.6 58.1 -49.5 -49.0 3.4 -7.4 14.7 83 83 A D H 34 S+ 0 0 138 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.839 105.2 52.3 -51.4 -33.7 4.0 -10.8 16.1 84 84 A V H X4 S+ 0 0 15 -3,-1.2 3,-0.6 1,-0.2 -1,-0.3 0.804 109.7 48.3 -73.8 -29.2 3.3 -12.1 12.6 85 85 A V H X< S+ 0 0 24 -4,-1.3 3,-3.3 -3,-1.1 -2,-0.2 0.916 98.0 65.7 -76.2 -44.7 5.8 -9.7 11.1 86 86 A D T 3< S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.481 91.1 70.4 -58.2 3.4 8.6 -10.6 13.5 87 87 A K T < S+ 0 0 100 -3,-0.6 2,-0.5 -5,-0.2 -1,-0.3 0.687 90.3 66.8 -90.6 -22.4 8.4 -14.0 11.8 88 88 A F < - 0 0 29 -3,-3.3 -1,-0.1 -4,-0.2 3,-0.1 -0.881 62.3-166.2-104.1 125.8 9.9 -12.5 8.6 89 89 A D S S+ 0 0 117 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.519 71.1 17.5 -88.4 -6.1 13.5 -11.3 8.7 90 90 A D S > S- 0 0 65 1,-0.1 4,-1.6 0, 0.0 -1,-0.1 -0.994 77.6-103.6-160.3 164.1 13.3 -9.4 5.4 91 91 A F H > S+ 0 0 7 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.882 117.3 54.0 -55.1 -44.3 11.2 -7.8 2.7 92 92 A T H >> S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.973 103.7 51.9 -57.7 -59.7 11.8 -10.7 0.4 93 93 A S H 3> S+ 0 0 28 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.862 109.8 53.2 -45.7 -40.1 10.7 -13.5 2.8 94 94 A L H 3X S+ 0 0 18 -4,-1.6 4,-2.1 2,-0.2 3,-0.3 0.890 108.5 48.1 -64.4 -41.6 7.5 -11.5 3.3 95 95 A V H << S+ 0 0 0 -4,-1.8 -2,-0.2 -3,-0.8 4,-0.2 0.896 116.6 41.6 -67.9 -40.8 6.8 -11.3 -0.5 96 96 A M H < S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.491 123.6 42.1 -83.2 -3.2 7.4 -15.0 -1.0 97 97 A G H X>S+ 0 0 2 -4,-0.5 4,-1.9 -5,-0.4 5,-0.8 0.561 81.1 110.9-116.4 -15.7 5.5 -15.8 2.2 98 98 A I H X>S+ 0 0 31 -4,-2.1 5,-1.7 1,-0.2 4,-1.2 0.773 92.3 18.6 -25.1-104.0 2.5 -13.3 2.0 99 99 A H H 4>S+ 0 0 61 3,-0.2 5,-1.3 -4,-0.2 -1,-0.2 0.877 127.2 59.3 -40.4 -49.0 -0.5 -15.6 1.5 100 100 A D H >5S+ 0 0 91 3,-0.2 4,-1.8 2,-0.1 -2,-0.2 0.950 125.5 6.1 -45.6 -83.6 1.5 -18.6 2.7 101 101 A V H X5S+ 0 0 39 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.952 137.1 43.5 -73.3 -53.8 2.5 -17.5 6.3 102 102 A I H XX S+ 0 0 38 -4,-2.7 4,-2.3 1,-0.2 3,-0.6 0.939 103.1 56.7 -54.2 -50.2 -4.8 -14.8 9.6 107 107 A N H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.889 105.0 52.2 -49.1 -43.6 -7.0 -17.9 9.3 108 108 A K H 3< S+ 0 0 150 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.881 107.5 52.5 -61.8 -37.4 -5.8 -18.9 12.8 109 109 A L H << S- 0 0 150 -4,-1.7 2,-0.3 -3,-0.6 -1,-0.2 0.899 131.2 -8.4 -65.1 -40.7 -6.8 -15.5 14.1 110 110 A Y S < S- 0 0 159 -4,-2.3 -1,-0.2 1,-0.2 -71,-0.0 -0.987 70.2-107.3-154.8 158.1 -10.3 -15.9 12.6 111 111 A H + 0 0 149 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.970 53.5 158.1 -49.7 -77.6 -12.3 -18.2 10.3 112 112 A E - 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