==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 18-OCT-04 1XS8 . COMPND 2 MOLECULE: UPF0269 PROTEIN YGGX; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR C.QIU,M.P.THORGERSEN,W.M.WESTLER,D.M.DOWNS,J.L.MARKLEY . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 64.8 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 . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 9 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 39.6 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 0 0 1 0 0 0 0 0 0 0 1 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 236 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.0 1.1 -23.5 12.9 2 2 A S - 0 0 84 13,-0.1 2,-0.6 1,-0.0 13,-0.0 -0.686 360.0-153.1 -80.2 104.8 1.0 -22.9 9.1 3 3 A R - 0 0 187 -2,-0.9 13,-2.8 13,-0.2 2,-0.4 -0.704 12.9-136.8 -82.0 121.3 -2.5 -21.7 8.3 4 4 A T E +A 15 0A 91 -2,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.654 33.9 157.8 -85.0 127.0 -3.4 -22.6 4.7 5 5 A I E -A 14 0A 30 9,-2.9 9,-2.8 -2,-0.4 2,-0.7 -0.811 44.5-105.4-132.7 177.5 -5.2 -20.0 2.6 6 6 A F E -A 13 0A 153 26,-0.4 2,-0.3 -2,-0.3 7,-0.2 -0.901 34.0-150.7-111.7 103.7 -5.6 -19.4 -1.1 7 7 A C >> - 0 0 0 5,-1.4 4,-3.3 -2,-0.7 3,-0.7 -0.544 10.5-141.9 -77.2 135.1 -3.4 -16.4 -2.2 8 8 A T T 34 S+ 0 0 18 25,-2.4 -1,-0.1 -2,-0.3 26,-0.1 0.886 102.8 51.5 -59.2 -40.3 -4.7 -14.4 -5.1 9 9 A Y T 34 S+ 0 0 87 24,-0.5 -1,-0.2 1,-0.2 25,-0.1 0.658 121.4 32.4 -75.6 -16.2 -1.2 -14.0 -6.5 10 10 A L T <4 S- 0 0 58 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.708 85.1-148.4-111.1 -31.2 -0.5 -17.7 -6.4 11 11 A Q S < S+ 0 0 151 -4,-3.3 2,-0.3 1,-0.3 -3,-0.1 0.716 71.7 78.2 64.0 23.2 -4.0 -19.2 -7.1 12 12 A R S S- 0 0 142 -5,-0.5 -5,-1.4 -7,-0.0 -1,-0.3 -0.853 97.4 -54.7-144.5 179.1 -3.0 -22.1 -4.8 13 13 A D E +A 6 0A 80 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.373 63.2 167.4 -59.9 133.4 -2.6 -23.1 -1.2 14 14 A A E -A 5 0A 11 -9,-2.8 -9,-2.9 -2,-0.1 2,-0.5 -0.933 39.3 -94.1-145.4 167.2 -0.3 -20.7 0.6 15 15 A E E -A 4 0A 80 -2,-0.3 21,-1.0 -11,-0.2 22,-0.2 -0.748 45.0-116.3 -91.0 128.6 0.7 -19.8 4.2 16 16 A G B -B 35 0B 15 -13,-2.8 -13,-0.2 -2,-0.5 19,-0.1 -0.190 34.4 -98.2 -60.8 153.4 -1.2 -17.0 5.8 17 17 A Q - 0 0 24 14,-0.9 -1,-0.1 17,-0.5 -14,-0.1 -0.081 34.8-110.5 -66.3 171.3 0.5 -13.8 6.7 18 18 A D - 0 0 93 1,-0.2 2,-0.3 18,-0.0 -1,-0.1 0.976 56.1 -75.2 -71.7 -87.6 1.7 -13.1 10.3 19 19 A F - 0 0 135 8,-0.0 2,-1.2 12,-0.0 -1,-0.2 -0.901 62.7 -45.6-163.2-174.9 -0.3 -10.4 12.1 20 20 A Q + 0 0 72 -2,-0.3 4,-0.0 1,-0.2 5,-0.0 -0.571 55.1 157.8 -74.4 98.5 -1.0 -6.6 12.4 21 21 A L S S- 0 0 97 -2,-1.2 -1,-0.2 3,-0.0 3,-0.1 0.306 85.9 -21.6-104.0 5.2 2.5 -5.2 12.5 22 22 A Y S S+ 0 0 208 1,-0.4 -2,-0.1 -3,-0.0 5,-0.0 0.062 124.5 63.1-176.0 -49.6 1.4 -1.8 11.3 23 23 A P - 0 0 44 0, 0.0 -1,-0.4 0, 0.0 0, 0.0 -0.039 50.5-174.8 -80.1-171.4 -2.0 -1.9 9.5 24 24 A G S > S+ 0 0 28 -3,-0.1 4,-2.0 -4,-0.0 5,-0.2 0.179 72.9 14.2-144.8 -83.9 -5.4 -3.0 10.9 25 25 A E H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.944 134.4 42.3 -71.7 -48.6 -8.5 -3.3 8.8 26 26 A L H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.874 111.3 61.2 -62.3 -37.1 -6.7 -3.2 5.5 27 27 A G H >> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 3,-0.8 0.962 109.1 36.0 -55.5 -60.3 -4.0 -5.5 7.0 28 28 A K H 3X S+ 0 0 101 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.832 112.4 60.8 -68.2 -30.1 -6.2 -8.5 7.7 29 29 A R H 3< S+ 0 0 145 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.796 115.6 34.7 -65.6 -28.2 -8.3 -7.9 4.6 30 30 A I H XX S+ 0 0 26 -4,-1.5 4,-1.9 -3,-0.8 3,-1.8 0.833 108.9 64.6 -91.2 -39.3 -5.1 -8.4 2.6 31 31 A Y H 3< S+ 0 0 18 -4,-2.9 -14,-0.9 1,-0.3 -2,-0.2 0.802 99.3 54.0 -55.5 -34.0 -3.5 -11.0 4.8 32 32 A N T 3< S+ 0 0 81 -4,-1.5 -26,-0.4 1,-0.2 -1,-0.3 0.644 118.9 34.5 -79.3 -11.8 -6.2 -13.6 4.1 33 33 A E T <4 S+ 0 0 59 -3,-1.8 -25,-2.4 1,-0.1 2,-0.5 0.528 113.3 66.3-112.4 -14.3 -5.7 -13.1 0.3 34 34 A I < - 0 0 1 -4,-1.9 -17,-0.5 -27,-0.2 -1,-0.1 -0.945 66.0-149.8-123.3 125.4 -1.9 -12.6 0.4 35 35 A S B > -B 16 0B 9 -2,-0.5 4,-2.5 -19,-0.1 5,-0.2 -0.429 36.2-105.2 -80.6 161.8 0.8 -15.0 1.3 36 36 A K H > S+ 0 0 63 -21,-1.0 4,-2.2 1,-0.2 5,-0.2 0.815 121.4 61.3 -52.5 -33.0 4.2 -14.0 2.9 37 37 A D H > S+ 0 0 82 -22,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.980 108.7 36.9 -59.2 -60.3 5.5 -14.8 -0.6 38 38 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.839 113.7 58.9 -64.6 -35.2 3.5 -12.2 -2.5 39 39 A W H X S+ 0 0 26 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.923 111.1 41.4 -58.6 -45.2 3.8 -9.8 0.4 40 40 A A H X S+ 0 0 36 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.906 111.7 56.9 -69.3 -42.8 7.6 -9.9 0.1 41 41 A Q H X S+ 0 0 93 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.941 112.1 39.4 -52.8 -54.6 7.5 -9.8 -3.7 42 42 A W H X S+ 0 0 15 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.925 111.9 54.3 -67.5 -46.8 5.5 -6.6 -3.9 43 43 A Q H X S+ 0 0 91 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.808 109.4 50.8 -61.7 -27.8 7.3 -4.7 -1.1 44 44 A H H X S+ 0 0 131 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.939 112.8 45.1 -70.5 -46.5 10.6 -5.4 -2.8 45 45 A K H X S+ 0 0 107 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.921 113.9 48.0 -64.0 -46.0 9.3 -4.1 -6.1 46 46 A Q H X S+ 0 0 9 -4,-3.2 4,-3.0 2,-0.2 5,-0.2 0.901 108.3 54.5 -65.5 -40.7 7.7 -1.0 -4.6 47 47 A T H X S+ 0 0 80 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.923 110.8 47.3 -56.6 -43.0 10.8 -0.2 -2.6 48 48 A M H X S+ 0 0 99 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.919 111.0 51.6 -61.3 -44.5 12.7 -0.3 -5.9 49 49 A L H X S+ 0 0 40 -4,-2.5 4,-3.5 1,-0.2 3,-0.3 0.893 105.9 54.3 -61.4 -41.7 10.0 1.9 -7.5 50 50 A I H X S+ 0 0 50 -4,-3.0 4,-2.0 1,-0.2 5,-0.4 0.846 106.0 53.3 -61.8 -33.6 10.3 4.5 -4.7 51 51 A N H < S+ 0 0 104 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.808 115.6 40.4 -70.5 -29.5 14.1 4.7 -5.4 52 52 A E H < S+ 0 0 134 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.899 119.8 42.0 -82.7 -46.1 13.3 5.4 -9.1 53 53 A K H < S- 0 0 73 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.773 90.3-148.7 -74.0 -27.7 10.3 7.7 -8.6 54 54 A K < + 0 0 175 -4,-2.0 -3,-0.1 -5,-0.3 -4,-0.1 0.783 40.2 162.6 63.3 30.4 12.1 9.5 -5.7 55 55 A L - 0 0 18 -5,-0.4 2,-0.3 -6,-0.2 -1,-0.2 -0.357 33.4-141.4 -85.5 158.2 8.6 10.1 -4.3 56 56 A N > - 0 0 56 -3,-0.1 3,-0.9 -2,-0.1 6,-0.3 -0.897 14.1-134.3-116.1 150.1 7.7 11.1 -0.7 57 57 A M T 3 S+ 0 0 68 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.239 92.4 83.1 -89.1 15.8 4.7 9.8 1.2 58 58 A M T 3 S+ 0 0 165 5,-0.0 2,-0.5 4,-0.0 -1,-0.2 0.447 80.3 74.9 -94.7 -2.9 3.7 13.2 2.4 59 59 A N S <> S- 0 0 60 -3,-0.9 4,-2.5 1,-0.1 3,-0.3 -0.946 75.0-141.1-116.2 132.7 1.9 14.0 -0.8 60 60 A A H > S+ 0 0 81 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.818 102.3 63.5 -57.4 -33.1 -1.5 12.6 -1.7 61 61 A E H > S+ 0 0 110 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.967 113.3 30.4 -52.4 -57.4 -0.2 12.2 -5.3 62 62 A H H > S+ 0 0 32 -3,-0.3 4,-1.7 -6,-0.3 -2,-0.2 0.747 117.1 59.7 -80.5 -24.1 2.5 9.7 -4.4 63 63 A R H X S+ 0 0 123 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.905 106.3 46.0 -69.9 -42.2 0.5 8.3 -1.5 64 64 A K H X S+ 0 0 50 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.741 105.5 63.7 -74.1 -22.6 -2.4 7.3 -3.8 65 65 A L H X S+ 0 0 7 -4,-0.9 4,-2.5 -5,-0.2 5,-0.3 0.968 103.6 46.3 -57.9 -53.9 0.3 5.9 -6.2 66 66 A L H X S+ 0 0 43 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.911 113.7 49.4 -53.8 -46.6 1.3 3.4 -3.5 67 67 A E H X S+ 0 0 128 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.944 111.6 47.9 -60.9 -51.5 -2.4 2.5 -2.9 68 68 A Q H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.955 117.6 40.0 -52.2 -58.7 -3.2 2.0 -6.6 69 69 A E H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.890 115.0 52.3 -63.7 -42.0 -0.2 -0.2 -7.3 70 70 A M H X>S+ 0 0 44 -4,-2.7 4,-2.6 -5,-0.3 5,-0.5 0.941 114.4 40.8 -62.3 -49.8 -0.4 -2.1 -4.0 71 71 A V H X>S+ 0 0 44 -4,-2.5 5,-2.0 -5,-0.2 4,-1.2 0.901 115.8 51.5 -66.0 -40.0 -4.1 -3.0 -4.4 72 72 A S H <5S+ 0 0 31 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.860 116.7 39.0 -67.1 -36.1 -3.7 -3.8 -8.1 73 73 A F H <5S+ 0 0 56 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.925 128.6 28.0 -80.8 -46.8 -0.7 -6.1 -7.6 74 74 A L H <5S+ 0 0 4 -4,-2.6 -3,-0.2 -5,-0.3 -65,-0.2 0.945 136.7 23.9 -83.4 -52.6 -1.8 -7.9 -4.4 75 75 A F T <