==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAY-10 3MXQ . COMPND 2 MOLECULE: SENSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR C.CHANG,R.WU,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 487 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 66.5 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 . 120 24.6 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 . 8 1.6 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 . 20 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 9 1 0 0 0 0 0 0 0 0 4 0 0 0 0 4 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 . 5 0 5 2 0 4 0 0 2 0 2 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 4 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 F >> 0 0 89 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0-169.5 31.7 50.0 53.1 2 -3 A Q H 3> + 0 0 146 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.772 360.0 73.5 -59.9 -27.3 28.8 52.1 51.7 3 -2 A S H 3> S+ 0 0 7 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.882 94.0 48.8 -54.8 -45.2 31.3 55.0 51.6 4 -1 A N H <> S+ 0 0 43 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.783 104.2 60.3 -69.3 -29.1 33.2 53.6 48.6 5 0 A A H X S+ 0 0 67 -4,-0.7 4,-1.2 -3,-0.3 -1,-0.2 0.875 109.7 42.7 -64.1 -38.7 30.0 53.0 46.7 6 1 A X H X S+ 0 0 59 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.895 114.0 49.8 -73.8 -44.6 29.3 56.8 46.8 7 2 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 225,-0.2 5,-0.2 0.944 112.8 45.9 -57.7 -51.5 32.8 57.9 46.1 8 3 A K H X S+ 0 0 117 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.860 111.5 55.2 -63.9 -34.7 33.2 55.6 43.0 9 4 A S H X S+ 0 0 49 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.929 110.2 43.1 -62.6 -50.5 29.7 56.8 42.0 10 5 A R H X S+ 0 0 51 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.917 114.8 50.9 -62.6 -44.9 30.7 60.5 42.1 11 6 A L H X S+ 0 0 35 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.905 110.6 49.3 -54.7 -46.7 34.1 59.7 40.4 12 7 A L H X S+ 0 0 60 -4,-2.6 4,-2.1 2,-0.2 3,-0.3 0.974 114.3 44.1 -58.2 -58.5 32.3 57.8 37.6 13 8 A L H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.3 3,-0.3 0.919 112.9 52.2 -53.7 -49.0 29.8 60.6 37.0 14 9 A S H X S+ 0 0 9 -4,-3.0 4,-1.7 1,-0.3 -1,-0.3 0.867 110.7 46.9 -58.7 -40.0 32.5 63.2 37.2 15 10 A E H X S+ 0 0 49 -4,-2.4 4,-1.3 -3,-0.3 -1,-0.3 0.767 109.8 54.7 -78.0 -24.9 34.6 61.4 34.6 16 11 A L H X S+ 0 0 5 -4,-2.1 4,-2.0 -3,-0.3 3,-0.2 0.956 109.6 45.7 -67.0 -50.8 31.6 60.9 32.3 17 12 A L H X S+ 0 0 13 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.850 108.8 56.9 -62.8 -35.2 30.8 64.6 32.3 18 13 A D H < S+ 0 0 53 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.918 112.2 42.3 -58.6 -40.6 34.5 65.5 31.7 19 14 A Q H < S+ 0 0 117 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.797 116.6 45.8 -82.2 -27.7 34.5 63.3 28.5 20 15 A L H < S+ 0 0 12 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.584 86.4 108.9 -88.5 -11.7 31.1 64.4 27.2 21 16 A S < + 0 0 24 -4,-1.3 102,-0.4 -5,-0.2 2,-0.3 -0.356 42.1 167.9 -73.6 147.6 31.6 68.1 27.6 22 17 A F - 0 0 3 100,-0.1 2,-0.3 -2,-0.0 17,-0.2 -0.969 37.8 -98.7-151.7 160.9 32.0 70.3 24.5 23 18 A A E -A 121 0A 0 98,-2.1 98,-2.1 -2,-0.3 2,-0.4 -0.659 38.6-169.4 -86.4 143.0 32.1 73.9 23.5 24 19 A L E +A 120 0A 0 -2,-0.3 13,-2.7 96,-0.2 2,-0.3 -0.998 11.0 169.6-140.7 134.6 28.9 75.2 21.9 25 20 A C E -AB 119 36A 1 94,-2.7 94,-2.8 -2,-0.4 2,-0.5 -0.996 18.3-153.7-146.1 130.3 28.2 78.5 20.1 26 21 A I E -AB 118 35A 12 9,-2.9 8,-2.9 -2,-0.3 9,-1.2 -0.925 18.6-170.3-105.5 133.9 25.2 79.7 18.1 27 22 A V E -AB 117 33A 0 90,-3.1 90,-2.7 -2,-0.5 6,-0.2 -0.946 21.7-124.8-124.1 144.4 25.8 82.4 15.5 28 23 A R E > -A 116 0A 108 4,-3.0 3,-1.5 -2,-0.4 88,-0.2 -0.193 43.3 -99.0 -66.4 170.5 23.6 84.5 13.4 29 24 A N T 3 S+ 0 0 68 86,-1.3 87,-0.1 1,-0.3 -1,-0.1 0.547 125.6 60.1 -77.6 -3.2 24.2 84.3 9.6 30 25 A D T 3 S- 0 0 66 85,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.053 123.6-105.5-105.1 19.4 26.2 87.5 9.8 31 26 A Y S < S+ 0 0 34 -3,-1.5 25,-2.8 1,-0.2 2,-0.3 0.420 72.7 145.5 76.2 3.6 28.6 85.8 12.2 32 27 A V B -E 55 0B 18 23,-0.3 -4,-3.0 24,-0.1 23,-0.3 -0.565 53.1-117.0 -76.0 128.9 27.3 87.6 15.3 33 28 A I E +B 27 0A 1 21,-3.7 20,-2.9 18,-0.4 21,-0.3 -0.494 37.8 169.4 -73.0 130.0 27.3 85.5 18.5 34 29 A V E + 0 0 48 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.798 63.2 6.0-107.8 -44.5 23.9 84.8 19.9 35 30 A K E -B 26 0A 108 -9,-1.2 -9,-2.9 16,-0.1 -1,-0.4 -0.989 61.6-173.1-145.5 151.0 24.4 82.1 22.6 36 31 A V E -B 25 0A 20 -2,-0.3 -11,-0.2 -11,-0.2 16,-0.0 -0.996 24.4-110.0-151.2 136.1 27.3 80.4 24.1 37 32 A N > - 0 0 11 -13,-2.7 4,-1.8 -2,-0.3 11,-0.1 -0.213 21.5-129.0 -44.4 147.7 28.1 77.5 26.5 38 33 A E H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.885 116.2 56.5 -62.3 -42.0 29.6 78.0 30.0 39 34 A Y H > S+ 0 0 39 1,-0.2 4,-0.6 -17,-0.2 -1,-0.2 0.834 104.8 50.7 -61.7 -35.3 32.1 75.4 28.8 40 35 A F H >4 S+ 0 0 4 -16,-0.2 3,-1.1 -18,-0.2 4,-0.5 0.945 109.9 49.9 -64.8 -51.0 33.0 77.6 25.8 41 36 A E H >< S+ 0 0 63 -4,-1.8 3,-1.6 1,-0.3 -2,-0.2 0.906 104.9 57.2 -52.0 -50.0 33.5 80.7 28.0 42 37 A S H 3< S+ 0 0 56 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.717 108.6 47.4 -60.4 -21.2 35.8 78.9 30.4 43 38 A R T << S+ 0 0 21 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.3 0.417 104.9 63.4-106.6 2.1 38.2 78.0 27.5 44 39 A V S < S- 0 0 21 -3,-1.6 48,-0.1 -4,-0.5 47,-0.0 -0.827 86.0-115.6-118.6 162.6 38.5 81.4 25.8 45 40 A I S S+ 0 0 154 -2,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.804 96.5 75.2 -63.0 -30.1 39.9 84.6 27.1 46 41 A F S S- 0 0 51 13,-0.1 -2,-0.4 2,-0.0 2,-0.3 -0.333 74.9-136.2 -81.7 162.3 36.5 86.2 26.8 47 42 A D >> - 0 0 83 -2,-0.1 4,-1.5 1,-0.1 3,-0.9 -0.882 29.8-105.2-114.9 154.6 33.5 85.7 29.1 48 43 A G H 3> S+ 0 0 11 -2,-0.3 4,-1.4 1,-0.3 -1,-0.1 0.790 116.3 56.6 -47.3 -44.4 29.9 85.1 27.9 49 44 A E H 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.2 3,-0.3 0.922 111.1 44.1 -55.0 -46.3 28.7 88.6 28.7 50 45 A T H <4 S+ 0 0 63 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.6 53.0 -69.5 -35.3 31.4 90.2 26.5 51 46 A X H >< S+ 0 0 0 -4,-1.5 3,-1.2 2,-0.1 -18,-0.4 0.747 82.0 100.5 -76.5 -28.3 31.0 87.8 23.6 52 47 A Q T 3< S+ 0 0 114 -4,-1.4 -18,-0.2 1,-0.3 3,-0.1 -0.412 88.9 18.0 -71.3 132.4 27.2 88.1 23.0 53 48 A G T 3 S+ 0 0 52 -20,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.744 104.3 111.7 80.1 25.2 26.3 90.4 20.1 54 49 A K S < S- 0 0 96 -3,-1.2 -21,-3.7 -21,-0.3 2,-0.4 -0.944 74.3-102.3-129.5 152.3 29.8 90.3 18.6 55 50 A N B >> -E 32 0B 33 -2,-0.3 4,-1.9 -23,-0.3 3,-0.6 -0.585 18.5-149.0 -76.0 124.8 31.2 88.8 15.4 56 51 A I H 3> S+ 0 0 1 -25,-2.8 4,-2.0 -2,-0.4 -1,-0.1 0.872 98.9 59.3 -58.2 -39.1 33.1 85.5 15.9 57 52 A L H 34 S+ 0 0 23 1,-0.2 7,-0.3 -26,-0.2 -1,-0.2 0.816 109.2 43.1 -63.9 -31.6 35.3 86.3 13.0 58 53 A E H <4 S+ 0 0 148 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.820 112.6 52.7 -79.9 -32.4 36.4 89.5 14.8 59 54 A L H < S+ 0 0 28 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.752 123.1 27.2 -76.7 -25.2 36.8 87.8 18.2 60 55 A F S >X S+ 0 0 22 -4,-2.0 3,-2.5 -5,-0.2 4,-0.7 -0.388 73.2 163.5-132.5 58.6 39.0 85.0 16.9 61 56 A P G >4 S+ 0 0 85 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.804 70.2 62.5 -54.6 -41.6 40.8 86.6 13.9 62 57 A E G 34 S+ 0 0 170 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.540 115.4 36.4 -60.8 -4.7 43.6 84.0 13.5 63 58 A S G <> S+ 0 0 9 -3,-2.5 4,-2.4 -6,-0.2 3,-0.5 0.457 86.7 101.8-121.7 -10.2 40.8 81.5 12.8 64 59 A A H S+ 0 0 147 -4,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.916 113.7 40.3 -51.3 -53.7 39.3 82.3 7.4 66 61 A Y H > S+ 0 0 19 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.949 116.5 50.0 -64.2 -50.6 38.7 78.7 8.4 67 62 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.852 108.6 52.4 -55.7 -43.3 35.6 79.4 10.4 68 63 A K H X S+ 0 0 88 -4,-3.0 4,-2.7 -5,-0.2 5,-0.2 0.882 108.6 50.6 -63.7 -38.8 34.1 81.5 7.6 69 64 A R H X S+ 0 0 191 -4,-1.7 4,-2.0 -5,-0.2 -2,-0.2 0.906 114.0 45.5 -66.0 -39.3 34.6 78.6 5.1 70 65 A K H X S+ 0 0 26 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.942 116.5 43.0 -67.6 -48.5 32.9 76.2 7.6 71 66 A I H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.906 114.9 50.4 -66.4 -39.8 30.0 78.5 8.4 72 67 A D H X S+ 0 0 40 -4,-2.7 4,-2.1 -5,-0.2 5,-0.3 0.886 104.6 58.1 -67.6 -36.7 29.5 79.5 4.7 73 68 A T H X S+ 0 0 53 -4,-2.0 4,-2.7 -5,-0.2 3,-0.4 0.960 108.9 45.8 -53.6 -53.3 29.6 75.8 3.7 74 69 A A H X>S+ 0 0 2 -4,-1.8 4,-0.8 1,-0.2 5,-0.6 0.907 111.8 52.8 -54.0 -44.4 26.6 75.2 6.0 75 70 A L H <5S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.801 118.0 34.3 -67.0 -31.2 24.9 78.3 4.7 76 71 A V H <5S+ 0 0 111 -4,-2.1 -2,-0.2 -3,-0.4 -1,-0.2 0.794 121.6 41.2 -96.3 -35.0 25.1 77.4 1.0 77 72 A I H <5S- 0 0 104 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.407 98.3-133.0 -96.0 3.2 24.8 73.6 0.9 78 73 A E T <5 + 0 0 118 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.839 66.7 105.9 50.8 43.1 22.0 73.7 3.5 79 74 A S S - 0 0 36 4,-3.2 3,-1.0 -2,-0.2 -1,-0.1 -0.423 37.7 -94.3 -79.4 165.6 13.6 79.5 10.4 110 114 A E T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.892 129.2 55.3 -42.0 -50.5 9.8 78.8 9.9 111 115 A D T 3 S- 0 0 93 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.837 121.4-109.6 -51.6 -40.4 10.2 80.5 6.5 112 116 A G S < S+ 0 0 33 -3,-1.0 -2,-0.1 1,-0.4 -1,-0.1 -0.120 75.8 129.7 132.2 -32.6 12.9 78.0 5.5 113 117 A T - 0 0 81 -5,-0.2 -4,-3.2 1,-0.1 2,-0.9 -0.148 63.2-120.2 -57.6 140.6 15.9 80.4 5.6 114 118 A I E + D 0 108A 15 -6,-0.2 -6,-0.2 -39,-0.2 -1,-0.1 -0.760 44.1 159.6 -85.5 107.5 19.0 79.5 7.5 115 119 A E E + 0 0 90 -8,-1.5 -86,-1.3 -2,-0.9 2,-0.3 0.622 60.7 27.2-108.2 -19.4 19.3 82.4 10.0 116 120 A H E -AD 28 107A 58 -9,-1.2 -9,-2.4 -88,-0.2 2,-0.4 -0.972 60.9-155.2-134.2 154.4 21.6 80.8 12.6 117 121 A V E -AD 27 106A 0 -90,-2.7 -90,-3.1 -2,-0.3 2,-0.4 -0.994 14.3-137.4-125.4 146.3 24.2 78.1 12.7 118 122 A C E -AD 26 105A 0 -13,-3.5 -13,-2.6 -2,-0.4 2,-0.4 -0.771 16.3-163.4 -93.0 138.1 25.3 76.0 15.7 119 123 A L E +AD 25 104A 8 -94,-2.8 -94,-2.7 -2,-0.4 2,-0.4 -0.988 8.2 180.0-126.2 132.7 29.0 75.3 16.4 120 124 A C E -AD 24 103A 0 -17,-1.9 -17,-2.3 -2,-0.4 2,-0.5 -0.998 11.0-159.0-133.3 129.4 30.3 72.6 18.6 121 125 A V E -AD 23 102A 3 -98,-2.1 -98,-2.1 -2,-0.4 2,-0.3 -0.957 12.2-165.5-114.8 121.5 33.9 71.9 19.3 122 126 A Y E - 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