==== 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 09-NOV-06 2NUH . COMPND 2 MOLECULE: PERIPLASMIC DIVALENT CATION TOLERANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR F.J.MEDRANO,C.E.BENEDETTI . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 69.2 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 . 27 26.0 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 1.0 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 . 5 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 0 0 0 2 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 1 0 0 0 1 0 0 1 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 3 A S 0 0 46 0, 0.0 87,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 168.2 38.1 -30.0 -14.0 2 4 A D + 0 0 97 85,-0.1 60,-2.4 2,-0.1 2,-0.3 0.307 360.0 108.6 -93.5 10.2 34.8 -31.7 -13.4 3 5 A V E -A 61 0A 4 85,-0.3 85,-3.0 58,-0.3 2,-0.4 -0.666 52.1-164.1 -83.1 139.5 35.0 -31.2 -9.6 4 6 A Y E -AB 60 87A 51 56,-2.5 56,-2.7 -2,-0.3 2,-0.6 -0.974 14.7-147.2-126.0 143.6 32.6 -28.6 -8.2 5 7 A L E -AB 59 86A 43 81,-2.8 81,-3.0 -2,-0.4 2,-0.5 -0.950 18.0-159.3-106.8 120.6 32.6 -26.9 -4.8 6 8 A I E -AB 58 85A 0 52,-3.1 52,-3.3 -2,-0.6 2,-0.5 -0.907 2.0-153.4-104.8 129.2 29.1 -26.1 -3.6 7 9 A F E +AB 57 84A 62 77,-3.1 77,-1.9 -2,-0.5 2,-0.3 -0.849 27.3 150.7 -97.1 132.6 28.6 -23.4 -1.0 8 10 A S E -A 56 0A 0 48,-1.6 48,-3.6 -2,-0.5 2,-0.3 -0.932 27.7-145.7-145.1 168.5 25.6 -23.6 1.2 9 11 A T E -A 55 0A 4 73,-0.4 73,-0.3 -2,-0.3 46,-0.2 -0.969 8.9-166.4-132.3 155.3 24.8 -22.5 4.8 10 12 A C E -A 54 0A 0 44,-2.3 44,-2.9 -2,-0.3 6,-0.0 -0.954 29.7-118.4-136.8 160.8 22.7 -24.1 7.4 11 13 A P S S- 0 0 41 0, 0.0 2,-0.3 0, 0.0 41,-0.1 0.724 83.5 -5.6 -73.5 -23.0 21.3 -22.7 10.7 12 14 A D S > S- 0 0 73 42,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.933 77.3 -81.2-159.6-177.3 23.0 -25.1 13.1 13 15 A L H > S+ 0 0 85 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.894 116.6 52.0 -67.4 -44.1 25.1 -28.1 13.7 14 16 A P H > S+ 0 0 72 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.946 111.4 48.0 -60.4 -42.1 22.5 -30.8 13.4 15 17 A S H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 113.6 47.8 -62.5 -37.9 21.5 -29.5 10.0 16 18 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.900 114.6 46.6 -66.0 -39.9 25.1 -29.3 8.9 17 19 A E H X S+ 0 0 98 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.911 112.6 49.3 -69.5 -42.4 25.7 -32.8 10.2 18 20 A I H X S+ 0 0 74 -4,-3.3 4,-2.7 -5,-0.2 5,-0.3 0.956 115.8 42.9 -60.5 -49.6 22.6 -34.2 8.6 19 21 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.930 116.1 48.2 -64.1 -45.5 23.4 -32.7 5.2 20 22 A S H X S+ 0 0 11 -4,-2.6 4,-1.9 -5,-0.2 5,-0.2 0.944 115.5 43.4 -59.8 -49.6 27.1 -33.6 5.4 21 23 A R H X S+ 0 0 136 -4,-2.9 4,-3.2 -5,-0.2 5,-0.2 0.925 116.1 46.6 -66.0 -44.4 26.4 -37.2 6.4 22 24 A V H X S+ 0 0 16 -4,-2.7 4,-2.9 -5,-0.3 6,-0.2 0.928 110.8 50.7 -67.4 -44.0 23.6 -37.8 3.9 23 25 A L H <>S+ 0 0 0 -4,-2.6 5,-3.1 -5,-0.3 6,-1.6 0.897 117.4 40.7 -61.5 -38.2 25.4 -36.2 0.9 24 26 A V H ><5S+ 0 0 56 -4,-1.9 3,-1.7 -5,-0.3 -2,-0.2 0.933 115.4 50.4 -73.8 -44.3 28.5 -38.4 1.6 25 27 A Q H 3<5S+ 0 0 112 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.890 112.5 46.8 -61.1 -40.9 26.5 -41.5 2.5 26 28 A E T 3<5S- 0 0 88 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.312 113.6-119.3 -85.1 8.1 24.4 -41.2 -0.7 27 29 A R T < 5S+ 0 0 138 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.867 79.5 123.2 56.3 41.0 27.6 -40.6 -2.7 28 30 A L S > -A 3 0A 3 -33,-0.3 3,-1.6 -58,-0.3 4,-1.0 -0.823 36.9 -95.3-128.2 174.1 31.6 -33.5 -9.4 62 64 A A G >4 S+ 0 0 34 -60,-2.4 3,-0.8 1,-0.3 4,-0.5 0.863 120.4 53.8 -56.0 -42.8 29.6 -32.2 -12.4 63 65 A V G 34 S+ 0 0 114 1,-0.2 -1,-0.3 -61,-0.2 4,-0.2 0.689 116.9 38.6 -72.3 -13.8 27.5 -35.3 -12.7 64 66 A H G <> S+ 0 0 32 -3,-1.6 4,-2.9 2,-0.1 5,-0.3 0.455 86.8 96.2-110.6 -3.2 26.4 -35.0 -9.1 65 67 A V H S+ 0 0 125 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.915 115.8 48.4 -64.9 -42.7 22.3 -31.2 -9.3 67 69 A A H > S+ 0 0 36 -4,-0.2 4,-2.7 1,-0.2 5,-0.3 0.887 111.5 49.9 -64.6 -39.6 21.6 -34.2 -7.2 68 70 A A H X S+ 0 0 1 -4,-2.9 4,-2.6 -40,-0.2 -1,-0.2 0.921 113.2 47.2 -64.1 -42.1 23.7 -32.8 -4.4 69 71 A I H X S+ 0 0 39 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.922 114.5 44.8 -66.7 -42.2 21.9 -29.5 -4.5 70 72 A T H X S+ 0 0 90 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.910 114.9 47.7 -73.5 -37.0 18.4 -31.0 -4.7 71 73 A R H X S+ 0 0 76 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.919 109.4 54.5 -67.2 -40.1 19.2 -33.5 -1.9 72 74 A L H >X S+ 0 0 0 -4,-2.6 3,-0.6 -5,-0.3 4,-0.5 0.938 109.3 48.8 -52.6 -46.6 20.6 -30.6 0.1 73 75 A C H >< S+ 0 0 58 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.894 106.4 55.5 -60.7 -40.3 17.3 -28.9 -0.4 74 76 A A H 3< S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.753 115.8 38.7 -64.6 -24.3 15.4 -31.9 0.7 75 77 A L H << S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.403 95.1 112.5-102.3 -1.3 17.3 -31.9 3.9 76 78 A H << - 0 0 19 -3,-1.1 -66,-0.1 -4,-0.5 -3,-0.0 -0.561 59.2-149.0 -91.1 137.4 17.5 -28.3 4.5 77 79 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.816 81.9 79.1 -59.3 -32.9 15.7 -26.3 7.2 78 80 A Y S S- 0 0 62 1,-0.1 -2,-0.1 4,-0.1 -3,-0.0 -0.589 74.1-143.2 -84.9 143.9 15.5 -23.3 4.9 79 81 A R S S+ 0 0 252 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.1 0.853 102.4 25.3 -64.5 -37.5 12.9 -23.0 2.2 80 82 A L S S- 0 0 156 -3,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.786 86.0-174.0-131.3 87.9 15.4 -21.4 -0.0 81 83 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -71,-0.1 -0.450 33.8 -98.8 -81.6 156.7 18.9 -22.4 0.9 82 84 A E + 0 0 66 -73,-0.3 -73,-0.4 -2,-0.1 2,-0.2 -0.536 50.0 162.0 -61.5 130.1 22.1 -21.1 -0.5 83 85 A A + 0 0 28 -2,-0.3 2,-0.4 -75,-0.1 -75,-0.2 -0.677 4.9 153.5-155.9 96.9 23.4 -23.5 -3.1 84 86 A I E -B 7 0A 101 -77,-1.9 -77,-3.1 -2,-0.2 2,-0.4 -0.998 25.8-152.3-131.7 132.8 26.0 -22.2 -5.5 85 87 A A E -B 6 0A 40 -2,-0.4 2,-0.5 -79,-0.2 -79,-0.3 -0.883 4.5-163.5-113.1 136.1 28.5 -24.3 -7.2 86 88 A V E -B 5 0A 76 -81,-3.0 -81,-2.8 -2,-0.4 2,-0.3 -0.961 23.3-123.4-117.7 130.6 31.9 -23.2 -8.4 87 89 A Q E -B 4 0A 96 -2,-0.5 2,-0.4 -83,-0.2 -83,-0.2 -0.562 22.7-125.6 -70.9 132.3 33.9 -25.2 -11.0 88 90 A V - 0 0 37 -85,-3.0 -85,-0.3 -2,-0.3 3,-0.1 -0.683 17.2-161.0 -76.3 126.6 37.3 -26.3 -9.8 89 91 A S - 0 0 110 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.933 68.2 -16.6 -75.0 -49.0 39.8 -25.1 -12.4 90 92 A V + 0 0 120 -89,-0.1 -1,-0.3 2,-0.0 2,-0.3 -0.969 66.7 170.5-152.7 162.3 42.6 -27.4 -11.4 91 93 A G - 0 0 28 -2,-0.3 3,-0.0 -3,-0.1 -3,-0.0 -0.984 50.5 -59.0-164.5 170.3 43.6 -29.6 -8.5 92 94 A L >> - 0 0 121 -2,-0.3 4,-2.4 1,-0.2 3,-0.8 -0.448 54.5-133.9 -57.3 119.6 45.9 -32.2 -7.1 93 95 A P H 3> S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.893 102.2 48.4 -52.8 -45.3 45.2 -35.0 -9.6 94 96 A E H 3> S+ 0 0 161 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.814 111.8 52.1 -65.5 -27.8 44.8 -37.8 -7.0 95 97 A Y H <> S+ 0 0 89 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.933 110.1 45.9 -74.2 -43.7 42.5 -35.6 -5.1 96 98 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 113.9 50.7 -61.8 -40.7 40.2 -34.8 -8.0 97 99 A T H X S+ 0 0 81 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.916 108.3 52.5 -63.0 -42.4 40.3 -38.6 -8.9 98 100 A W H X S+ 0 0 90 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.927 107.4 51.2 -60.1 -44.5 39.4 -39.4 -5.3 99 101 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.956 115.1 43.8 -55.7 -48.3 36.4 -37.1 -5.4 100 102 A N H >X S+ 0 0 42 -4,-2.2 4,-2.8 1,-0.2 3,-0.6 0.896 113.0 49.0 -67.2 -43.1 35.2 -38.7 -8.5 101 103 A T H 3< S+ 0 0 86 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.802 105.5 60.0 -70.5 -27.1 35.9 -42.3 -7.5 102 104 A E H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.817 122.5 20.4 -64.0 -32.1 34.0 -41.7 -4.2 103 105 A I H << 0 0 9 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.601 360.0 360.0-119.2 -17.1 30.8 -40.8 -6.0 104 106 A D < 0 0 120 -4,-2.8 -76,-0.0 -5,-0.2 -77,-0.0 -0.379 360.0 360.0 -88.4 360.0 31.0 -42.3 -9.5