==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-SEP-09 2KO6 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YIHD; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR B.WU,A.YEE,C.FARES,A.LEMAK,A.SEMEST,C.H.ARROWSMITH,NORTHEAST . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 57.3 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 . 1 1.1 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 0 0 1 1 0 1 0 1 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 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 1 A M 0 0 205 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.4 1.0 -0.5 -1.1 2 2 A K + 0 0 182 1,-0.1 2,-0.9 2,-0.0 3,-0.1 0.385 360.0 93.7-100.5 -2.2 -1.5 -2.2 -3.4 3 3 A C > + 0 0 79 1,-0.2 4,-1.6 2,-0.1 3,-0.2 -0.819 43.6 177.1 -96.5 95.9 -4.8 -1.1 -1.6 4 4 A K H > S+ 0 0 167 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.789 84.1 63.6 -64.7 -28.9 -5.9 2.1 -3.4 5 5 A R H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 104.3 45.2 -54.5 -47.9 -8.9 1.9 -0.9 6 6 A L H > S+ 0 0 63 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.878 112.6 52.1 -65.8 -40.2 -6.4 2.3 2.0 7 7 A N H < S+ 0 0 69 -4,-1.6 4,-0.5 2,-0.2 -2,-0.2 0.944 110.2 45.0 -65.6 -49.6 -4.6 5.2 0.1 8 8 A E H X S+ 0 0 48 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.846 113.6 49.9 -68.9 -35.5 -7.8 7.4 -0.6 9 9 A V H X>S+ 0 0 2 -4,-1.6 4,-1.8 1,-0.2 5,-0.6 0.897 108.5 53.0 -69.7 -37.0 -9.2 6.9 3.0 10 10 A I H <5S+ 0 0 56 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.588 105.2 60.8 -74.2 -6.4 -5.7 8.0 4.4 11 11 A E H 45S+ 0 0 152 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.960 128.9 0.6 -76.1 -60.2 -6.1 11.1 2.1 12 12 A L H <5S+ 0 0 26 -4,-1.5 4,-0.3 2,-0.1 -2,-0.2 0.764 134.8 49.9-103.4 -33.0 -9.4 12.6 3.6 13 13 A L T X5S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.4 5,-0.4 0.543 77.7 109.1 -86.1 -6.7 -10.3 10.3 6.5 14 14 A Q H > S+ 0 0 77 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.912 115.8 53.7 -62.3 -42.8 -7.7 12.5 11.2 16 16 A A H >4 S+ 0 0 18 -4,-0.3 3,-0.9 1,-0.2 4,-0.4 0.906 111.8 42.9 -56.9 -50.4 -11.0 10.7 11.7 17 17 A W H 3< S+ 0 0 28 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.726 107.3 61.9 -71.0 -24.0 -9.4 7.2 11.7 18 18 A Q H 3< S+ 0 0 103 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.646 97.6 58.4 -76.2 -14.3 -6.6 8.5 14.0 19 19 A K S << S+ 0 0 175 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.694 128.3 14.1 -79.2 -21.7 -9.3 9.2 16.6 20 20 A E S > S+ 0 0 52 -3,-0.5 3,-0.6 -4,-0.4 -1,-0.2 -0.497 71.7 154.1-153.1 68.9 -10.2 5.5 16.5 21 21 A P T 3 + 0 0 77 0, 0.0 -3,-0.1 0, 0.0 7,-0.1 0.533 60.2 83.9 -79.7 -5.8 -7.4 3.4 14.7 22 22 A D T 3 S+ 0 0 113 66,-0.1 2,-0.1 -5,-0.1 -4,-0.0 0.848 76.4 78.6 -66.0 -38.0 -8.3 0.2 16.6 23 23 A F S < S- 0 0 51 -3,-0.6 -3,-0.1 -6,-0.1 0, 0.0 -0.472 87.1-119.5 -70.6 143.0 -11.1 -0.6 14.1 24 24 A N > - 0 0 109 -2,-0.1 4,-2.3 4,-0.0 5,-0.4 0.063 36.9 -83.7 -71.1-173.1 -9.9 -2.2 10.8 25 25 A L H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.986 131.6 28.7 -60.9 -59.4 -10.4 -0.7 7.2 26 26 A L H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.736 119.1 59.8 -72.9 -24.8 -14.0 -2.0 6.7 27 27 A Q H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.906 110.8 37.8 -74.2 -43.7 -14.7 -2.0 10.5 28 28 A F H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.881 118.1 52.6 -69.8 -40.4 -14.2 1.8 11.0 29 29 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.879 107.7 49.7 -62.3 -43.2 -15.8 2.4 7.6 30 30 A Q H X S+ 0 0 37 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.802 109.1 55.0 -69.0 -31.7 -19.0 0.4 8.5 31 31 A K H X S+ 0 0 65 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.996 114.0 37.1 -60.7 -59.6 -19.2 2.4 11.8 32 32 A L H X S+ 0 0 32 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.805 118.0 53.1 -66.5 -31.6 -19.2 5.9 10.1 33 33 A A H <>S+ 0 0 3 -4,-2.1 5,-1.6 2,-0.2 4,-0.3 0.919 109.1 46.4 -69.5 -48.2 -21.4 4.5 7.2 34 34 A K H <5S+ 0 0 125 -4,-2.2 3,-0.5 3,-0.2 -2,-0.2 0.791 110.3 54.4 -66.1 -28.9 -24.1 3.0 9.5 35 35 A E H <5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.765 106.2 52.8 -71.7 -27.3 -24.1 6.4 11.5 36 36 A S T <5S- 0 0 66 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.510 126.4-109.0 -79.1 -8.1 -24.7 8.0 8.0 37 37 A G T 5 - 0 0 51 -3,-0.5 -3,-0.2 -4,-0.3 2,-0.2 0.875 43.7-165.4 80.4 41.6 -27.7 5.6 7.6 38 38 A F < - 0 0 48 -5,-1.6 -1,-0.2 1,-0.1 4,-0.1 -0.419 11.3-159.7 -63.5 125.7 -26.2 3.3 4.9 39 39 A D S S+ 0 0 168 -2,-0.2 -1,-0.1 2,-0.1 -5,-0.0 0.809 71.2 58.9 -78.7 -35.0 -28.9 1.1 3.3 40 40 A G S S- 0 0 41 1,-0.1 2,-0.2 4,-0.0 5,-0.0 -0.105 94.1 -91.5 -82.8-174.4 -26.5 -1.5 1.9 41 41 A E > - 0 0 134 1,-0.1 3,-1.8 -2,-0.0 4,-0.4 -0.665 30.5-115.5 -97.7 158.5 -23.9 -3.8 3.7 42 42 A L T 3 S+ 0 0 54 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.707 114.4 67.4 -68.0 -20.6 -20.2 -2.8 4.3 43 43 A A T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -13,-0.0 -17,-0.0 0.588 111.6 34.8 -71.3 -12.4 -19.2 -5.8 2.0 44 44 A D S < S+ 0 0 118 -3,-1.8 2,-0.4 2,-0.1 -2,-0.2 0.325 87.1 131.5-116.5 -1.9 -20.8 -3.7 -0.8 45 45 A L - 0 0 3 -4,-0.4 2,-0.2 -3,-0.2 -3,-0.1 -0.399 52.8-141.1 -60.5 107.1 -19.7 -0.2 0.7 46 46 A T >> - 0 0 66 -2,-0.4 3,-1.4 1,-0.1 4,-0.9 -0.534 11.1-131.1 -74.8 137.9 -18.2 1.7 -2.3 47 47 A D H 3> S+ 0 0 51 1,-0.3 4,-2.5 -2,-0.2 5,-0.3 0.801 105.6 71.6 -55.5 -31.8 -15.0 3.8 -1.6 48 48 A D H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.832 95.9 50.8 -51.4 -40.3 -16.9 6.6 -3.5 49 49 A I H <> S+ 0 0 49 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.948 113.4 42.5 -65.6 -50.7 -19.3 7.0 -0.5 50 50 A L H X S+ 0 0 1 -4,-0.9 4,-2.5 2,-0.2 5,-0.3 0.939 115.4 47.8 -63.7 -51.7 -16.6 7.3 2.2 51 51 A I H X S+ 0 0 18 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.934 113.9 46.6 -58.7 -51.5 -14.3 9.6 0.3 52 52 A Y H X S+ 0 0 145 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.893 113.1 51.6 -54.2 -45.1 -17.1 12.0 -0.7 53 53 A H H X S+ 0 0 59 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.892 113.2 41.7 -62.1 -46.0 -18.4 11.9 3.0 54 54 A L H X S+ 0 0 5 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.746 110.0 59.2 -77.9 -25.5 -15.1 12.8 4.6 55 55 A K H X S+ 0 0 97 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.730 97.5 62.0 -71.7 -28.0 -14.4 15.4 1.8 56 56 A M H X S+ 0 0 80 -4,-1.1 4,-0.9 -3,-0.3 -2,-0.2 0.926 110.1 38.2 -58.9 -48.6 -17.6 17.3 2.9 57 57 A R H < S+ 0 0 105 -4,-0.9 4,-0.2 2,-0.2 -2,-0.2 0.731 115.6 55.3 -77.9 -24.0 -16.2 17.9 6.4 58 58 A D H >< S+ 0 0 96 -4,-1.2 3,-1.0 1,-0.2 4,-0.2 0.885 109.9 44.6 -70.1 -43.8 -12.7 18.6 4.8 59 59 A S H >< S+ 0 0 57 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.700 96.7 76.3 -76.0 -19.9 -14.1 21.3 2.5 60 60 A A T 3< S+ 0 0 15 -4,-0.9 3,-0.3 1,-0.3 -1,-0.2 0.705 80.6 71.9 -61.6 -21.6 -16.1 22.7 5.5 61 61 A K T < S- 0 0 170 -3,-1.0 -1,-0.3 1,-0.3 2,-0.2 0.826 123.6 -0.9 -60.6 -35.2 -12.7 24.2 6.6 62 62 A D S < S+ 0 0 152 -3,-1.4 -1,-0.3 -4,-0.2 2,-0.2 -0.770 94.6 123.6-160.8 109.8 -13.0 26.7 3.7 63 63 A A S S- 0 0 52 -3,-0.3 -3,-0.1 2,-0.2 6,-0.0 -0.870 72.0 -84.0-154.7-177.7 -16.1 26.7 1.3 64 64 A V S S+ 0 0 152 -2,-0.2 -4,-0.1 2,-0.1 -1,-0.0 0.710 82.3 125.5 -68.3 -23.4 -19.0 28.7 -0.3 65 65 A I - 0 0 69 1,-0.1 2,-1.9 3,-0.1 -2,-0.2 -0.065 65.6-132.5 -46.0 123.7 -21.1 27.8 2.9 66 66 A P S S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.501 79.0 -52.4 -82.4 69.6 -22.6 31.0 4.6 67 67 A G S S+ 0 0 76 -2,-1.9 2,-1.4 1,-0.2 -2,-0.1 0.305 110.0 128.1 79.2 -7.4 -21.5 30.0 8.1 68 68 A L + 0 0 121 1,-0.2 -1,-0.2 2,-0.1 -3,-0.1 -0.630 21.3 159.8 -88.3 84.1 -23.2 26.6 7.6 69 69 A Q - 0 0 128 -2,-1.4 -1,-0.2 -3,-0.1 -4,-0.1 0.975 23.3-168.7 -62.6 -59.5 -20.5 24.0 8.5 70 70 A K + 0 0 165 1,-0.2 2,-0.3 -10,-0.0 -10,-0.1 0.960 21.2 156.7 61.1 95.0 -23.0 21.1 9.0 71 71 A D - 0 0 64 -11,-0.0 2,-0.6 2,-0.0 -1,-0.2 -0.777 42.5-129.8-145.3 99.1 -21.2 18.1 10.7 72 72 A Y - 0 0 195 -2,-0.3 2,-0.4 1,-0.1 0, 0.0 -0.344 22.8-144.7 -65.0 100.8 -23.7 15.9 12.5 73 73 A E - 0 0 155 -2,-0.6 2,-0.3 2,-0.0 -1,-0.1 -0.552 9.4-148.8 -70.3 116.4 -22.2 15.4 16.0 74 74 A E - 0 0 93 -2,-0.4 2,-1.4 1,-0.1 3,-0.3 -0.689 15.1-131.7 -82.4 138.3 -22.8 11.9 17.5 75 75 A D > + 0 0 111 -2,-0.3 4,-1.3 1,-0.2 3,-0.3 -0.524 51.8 147.5 -84.6 63.3 -23.2 11.6 21.3 76 76 A F H > + 0 0 84 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.794 67.5 66.4 -65.5 -29.5 -20.7 8.6 21.3 77 77 A K H > S+ 0 0 160 -3,-0.3 4,-2.5 2,-0.2 5,-0.3 0.879 98.2 52.1 -55.9 -42.5 -19.7 9.9 24.8 78 78 A T H > S+ 0 0 77 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.948 113.6 41.9 -58.1 -52.0 -23.3 9.0 26.0 79 79 A A H X S+ 0 0 42 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.794 114.3 54.8 -64.5 -30.4 -22.9 5.4 24.6 80 80 A L H X S+ 0 0 67 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.946 112.2 38.4 -73.5 -52.3 -19.3 5.3 25.9 81 81 A L H < S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.770 115.7 56.1 -69.5 -27.9 -20.0 6.1 29.6 82 82 A R H < S+ 0 0 216 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.862 115.6 36.9 -71.3 -39.2 -23.2 4.0 29.4 83 83 A A H < S+ 0 0 41 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.968 87.3 152.1 -71.6 -82.0 -21.1 0.9 28.2 84 84 A R < + 0 0 202 -4,-1.5 2,-0.9 5,-0.2 3,-0.1 0.577 47.8 42.1 63.5 145.1 -17.9 1.3 30.4 85 85 A G S S+ 0 0 74 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 -0.131 81.4 113.4 87.0 -42.1 -15.5 -1.5 31.6 86 86 A V S > S- 0 0 77 -2,-0.9 3,-1.0 3,-0.5 -1,-0.2 -0.379 79.0-115.4 -65.1 145.6 -15.5 -3.4 28.3 87 87 A I T 3 S+ 0 0 170 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.784 112.4 40.3 -56.7 -35.6 -12.1 -3.5 26.4 88 88 A K T 3 0 0 156 1,-0.2 -1,-0.3 -4,-0.1 -66,-0.1 0.551 360.0 360.0 -97.0 -10.7 -13.4 -1.5 23.3 89 89 A E < 0 0 107 -3,-1.0 -3,-0.5 -9,-0.0 -1,-0.2 -0.815 360.0 360.0-135.6 360.0 -15.6 1.1 25.2