==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JUL-11 3T50 . COMPND 2 MOLECULE: BLUE-LIGHT-ACTIVATED HISTIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR J.J.RINALDI,S.KLINKE,F.A.GOLDBAUM . 223 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 65.9 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 . 60 26.9 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 . 4 1.8 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 0 2 0 0 0 0 2 0 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 2 2 0 0 0 2 2 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 2 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 26 A A 0 0 143 0, 0.0 133,-0.0 0, 0.0 152,-0.0 0.000 360.0 360.0 360.0 163.6 6.2 -13.1 4.5 2 27 A S - 0 0 52 132,-0.1 2,-0.3 1,-0.0 132,-0.1 -0.147 360.0-179.6 -62.6 143.1 7.0 -13.4 0.7 3 28 A E - 0 0 117 122,-0.0 2,-0.3 125,-0.0 125,-0.1 -0.989 4.8-177.9-138.8 145.1 9.3 -11.1 -1.2 4 29 A F - 0 0 36 -2,-0.3 121,-0.1 1,-0.1 210,-0.1 -0.832 41.8 -67.6-132.2 165.9 10.1 -11.3 -4.8 5 30 A T - 0 0 18 -2,-0.3 22,-0.4 1,-0.1 4,-0.1 -0.219 40.0-133.2 -49.2 140.8 12.3 -9.5 -7.3 6 31 A L S S+ 0 0 160 2,-0.1 -1,-0.1 20,-0.1 3,-0.0 0.556 84.7 93.0 -77.7 -10.3 10.9 -5.9 -7.9 7 32 A M S S- 0 0 65 1,-0.1 21,-0.2 101,-0.0 20,-0.2 -0.740 95.4-102.6 -77.3 130.0 11.3 -6.6 -11.6 8 33 A P + 0 0 12 0, 0.0 99,-1.5 0, 0.0 2,-0.3 -0.272 51.5 179.9 -50.0 138.2 8.1 -7.9 -13.2 9 34 A M E -A 106 0A 2 97,-0.2 16,-2.1 -4,-0.1 2,-0.3 -0.998 17.0-173.0-146.8 138.7 8.5 -11.7 -13.7 10 35 A L E -AB 105 24A 3 95,-1.1 95,-2.2 -2,-0.3 2,-0.4 -0.964 6.9-161.0-124.0 151.3 6.4 -14.5 -15.1 11 36 A I E -AB 104 23A 3 12,-2.4 11,-3.2 -2,-0.3 12,-1.7 -0.999 12.5-167.3-124.2 136.2 7.0 -18.2 -15.2 12 37 A T E -AB 103 21A 15 91,-2.5 91,-1.8 -2,-0.4 9,-0.2 -0.832 18.6-132.9-117.7 157.4 5.1 -20.4 -17.6 13 38 A N > - 0 0 16 7,-2.2 3,-1.8 -2,-0.3 6,-0.2 -0.891 14.0-173.1-111.1 100.3 4.7 -24.2 -17.8 14 39 A P T 3 S+ 0 0 38 0, 0.0 5,-0.2 0, 0.0 4,-0.1 0.570 80.5 73.0 -72.9 -5.8 5.2 -25.5 -21.3 15 40 A H T 3 S+ 0 0 96 86,-0.3 87,-0.1 2,-0.1 -2,-0.0 0.546 89.8 72.8 -79.9 -9.4 4.2 -29.0 -20.2 16 41 A L S X S- 0 0 60 -3,-1.8 3,-2.1 4,-0.1 -3,-0.0 -0.842 104.5 -86.8-104.0 149.1 0.6 -27.7 -20.0 17 42 A P T 3 S+ 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.259 113.1 9.7 -56.7 127.2 -1.5 -27.0 -23.1 18 43 A D T 3 S- 0 0 92 1,-0.2 -3,-0.1 -4,-0.1 -5,-0.0 0.556 111.5 -95.4 74.1 21.3 -0.9 -23.4 -24.4 19 44 A N < - 0 0 27 -3,-2.1 25,-0.4 -6,-0.2 -1,-0.2 0.926 57.9-157.6 47.7 56.7 2.1 -22.8 -22.1 20 45 A P - 0 0 12 0, 0.0 -7,-2.2 0, 0.0 2,-0.3 -0.263 21.1 -98.6 -73.2 152.1 0.1 -21.0 -19.3 21 46 A I E +B 12 0A 1 21,-2.8 20,-3.1 18,-0.4 -9,-0.3 -0.518 38.3 175.5 -60.0 130.2 1.4 -18.6 -16.7 22 47 A V E + 0 0 25 -11,-3.2 2,-0.3 1,-0.3 -10,-0.2 0.474 68.8 24.9-113.7 -10.5 2.0 -20.5 -13.5 23 48 A F E +B 11 0A 5 -12,-1.7 -12,-2.4 16,-0.1 2,-0.4 -0.931 55.7 176.1-153.8 132.0 3.5 -17.6 -11.5 24 49 A A E -B 10 0A 10 -2,-0.3 -14,-0.2 -14,-0.2 16,-0.1 -0.990 27.2-134.6-129.1 128.3 3.3 -13.9 -11.8 25 50 A N >> - 0 0 0 -16,-2.1 4,-2.0 -2,-0.4 3,-0.7 -0.302 26.4-106.7 -80.1 163.7 5.0 -11.7 -9.2 26 51 A P H 3> S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.877 119.8 61.1 -56.5 -32.2 3.4 -8.7 -7.6 27 52 A A H 3> S+ 0 0 17 -22,-0.4 4,-2.0 1,-0.2 5,-0.1 0.870 105.4 46.5 -60.2 -41.8 5.6 -6.4 -9.7 28 53 A F H <> S+ 0 0 0 -3,-0.7 4,-2.2 -19,-0.3 6,-0.3 0.890 111.8 51.3 -65.2 -38.4 4.0 -7.8 -12.9 29 54 A L H X S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 5,-0.5 0.914 111.1 47.9 -70.6 -38.0 0.6 -7.5 -11.4 30 55 A K H < S+ 0 0 179 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.9 51.1 -62.1 -42.5 1.3 -3.8 -10.5 31 56 A L H < S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 121.1 31.0 -59.2 -44.7 2.7 -3.2 -14.0 32 57 A T H < S- 0 0 0 -4,-2.2 47,-2.8 2,-0.1 48,-0.2 0.567 99.7-125.2-102.4 -13.0 -0.3 -4.6 -15.8 33 58 A G < + 0 0 41 -4,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.524 66.5 128.5 83.0 5.2 -3.1 -3.8 -13.4 34 59 A Y - 0 0 39 -5,-0.5 -1,-0.3 -6,-0.3 2,-0.2 -0.507 58.6-118.2 -90.0 164.4 -4.3 -7.4 -13.2 35 60 A E >> - 0 0 113 -2,-0.2 3,-1.7 1,-0.1 4,-0.7 -0.670 28.5-114.9 -91.6 153.3 -5.0 -9.7 -10.3 36 61 A A H >> S+ 0 0 37 1,-0.3 4,-2.6 -2,-0.2 3,-1.1 0.889 117.9 54.7 -52.5 -42.2 -3.0 -12.9 -9.9 37 62 A D H 34 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.586 104.8 55.5 -72.7 -6.5 -6.2 -15.0 -10.5 38 63 A E H <4 S+ 0 0 56 -3,-1.7 -1,-0.3 1,-0.0 -2,-0.2 0.556 116.6 33.0 -92.2 -18.6 -6.7 -13.2 -13.8 39 64 A V H X< S+ 0 0 0 -3,-1.1 3,-1.8 -4,-0.7 -18,-0.4 0.742 94.5 92.9-110.8 -32.9 -3.3 -14.0 -15.2 40 65 A M T 3< S+ 0 0 78 -4,-2.6 -18,-0.2 1,-0.3 3,-0.1 -0.380 92.0 23.4 -67.3 137.8 -2.5 -17.5 -13.8 41 66 A G T 3 S+ 0 0 59 -20,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.397 104.5 101.6 88.8 -0.6 -3.6 -20.3 -16.1 42 67 A R S < S- 0 0 110 -3,-1.8 -21,-2.8 -21,-0.2 -1,-0.3 -0.883 77.8-110.5-113.0 148.6 -3.5 -18.1 -19.2 43 68 A N > - 0 0 32 -2,-0.3 3,-1.3 -23,-0.3 -24,-0.1 -0.514 36.8-117.5 -66.1 142.9 -1.1 -17.8 -22.0 44 69 A C G > S+ 0 0 31 -25,-0.4 3,-2.6 1,-0.3 4,-0.2 0.705 97.6 92.7 -62.7 -21.1 0.6 -14.4 -21.8 45 70 A R G > + 0 0 118 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.611 62.3 84.3 -50.9 -16.3 -0.8 -13.3 -25.2 46 71 A F G < S+ 0 0 31 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.714 79.6 67.4 -59.1 -19.6 -3.8 -11.8 -23.4 47 72 A L G < S+ 0 0 0 -3,-2.6 30,-2.0 29,-0.1 -1,-0.3 0.601 87.0 88.5 -72.1 -13.8 -1.6 -8.7 -22.9 48 73 A Q < + 0 0 63 -3,-2.3 2,-0.2 28,-0.2 28,-0.1 -0.346 51.6 160.8 -86.0 169.6 -1.6 -8.0 -26.7 49 74 A G > - 0 0 33 26,-0.4 3,-1.5 -2,-0.1 26,-0.1 -0.809 54.2 -48.4-166.1-159.4 -4.2 -5.9 -28.6 50 75 A H T 3 S+ 0 0 203 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.773 128.2 49.0 -69.9 -27.5 -4.9 -4.0 -31.8 51 76 A G T 3 S+ 0 0 39 2,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.496 82.2 113.3 -84.6 -5.7 -1.6 -2.1 -31.8 52 77 A T S < S- 0 0 14 -3,-1.5 24,-0.1 22,-0.1 22,-0.1 -0.564 72.9-121.4 -71.5 127.9 0.6 -5.1 -31.2 53 78 A D >> - 0 0 72 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 -0.565 9.6-144.7 -69.7 117.5 2.8 -5.8 -34.3 54 79 A P H 3> S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.790 99.6 63.5 -52.9 -25.3 2.1 -9.3 -35.6 55 80 A A H 3> S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.844 101.1 50.3 -66.7 -36.2 5.8 -9.5 -36.5 56 81 A H H <> S+ 0 0 46 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.899 109.8 50.0 -64.8 -42.1 6.7 -9.2 -32.8 57 82 A V H X S+ 0 0 46 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.911 111.0 48.7 -65.2 -47.8 4.4 -12.0 -31.9 58 83 A R H X S+ 0 0 155 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.875 108.6 53.6 -60.9 -37.3 5.8 -14.2 -34.6 59 84 A A H X S+ 0 0 42 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 112.1 45.8 -63.4 -40.7 9.4 -13.5 -33.5 60 85 A I H X S+ 0 0 16 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.945 111.8 50.2 -66.1 -47.7 8.4 -14.5 -29.9 61 86 A K H X S+ 0 0 158 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 111.7 50.8 -58.5 -41.6 6.6 -17.7 -31.1 62 87 A S H X S+ 0 0 80 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.922 111.3 45.3 -60.2 -48.8 9.7 -18.6 -33.2 63 88 A A H <>S+ 0 0 13 -4,-2.2 5,-2.8 2,-0.2 4,-0.4 0.908 114.1 49.7 -63.6 -45.2 12.2 -18.2 -30.3 64 89 A I H ><5S+ 0 0 50 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.926 110.1 50.0 -58.6 -46.4 9.9 -20.1 -27.9 65 90 A A H 3<5S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.843 114.1 45.7 -65.8 -32.1 9.5 -22.9 -30.5 66 91 A A T 3<5S- 0 0 71 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.434 109.9-125.4 -83.0 -3.4 13.3 -23.0 -30.8 67 92 A E T < 5 + 0 0 85 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.927 67.1 134.2 52.6 45.2 13.8 -22.9 -27.0 68 93 A K < - 0 0 36 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.896 59.6-106.7-117.6 154.5 16.0 -19.8 -27.4 69 94 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.384 32.9-163.5 -76.0 158.7 15.8 -16.6 -25.4 70 95 A I E -C 90 0A 25 20,-2.3 20,-2.8 -2,-0.1 2,-0.5 -0.996 15.3-162.0-144.4 141.4 14.4 -13.4 -26.9 71 96 A D E +C 89 0A 115 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.997 33.0 153.3-120.4 122.7 14.7 -9.7 -26.0 72 97 A I E -C 88 0A 26 16,-2.3 16,-3.2 -2,-0.5 2,-0.5 -0.994 42.3-133.6-155.5 136.3 11.9 -7.7 -27.7 73 98 A D E +C 87 0A 41 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.888 36.4 173.1 -93.8 127.9 9.9 -4.5 -27.2 74 99 A I E -C 86 0A 1 12,-2.6 12,-3.1 -2,-0.5 2,-0.4 -0.966 35.9-110.5-136.3 144.2 6.2 -5.2 -27.9 75 100 A I E +C 85 0A 39 -2,-0.3 -26,-0.4 10,-0.2 2,-0.3 -0.660 46.4 167.8 -76.9 125.3 3.0 -3.1 -27.5 76 101 A N E -C 84 0A 6 8,-2.8 8,-2.9 -2,-0.4 2,-0.4 -0.775 25.6-125.3-132.3 176.3 0.9 -4.5 -24.7 77 102 A Y E -C 83 0A 47 -30,-2.0 6,-0.2 -2,-0.3 5,-0.1 -0.988 9.8-135.2-135.0 131.8 -2.2 -3.4 -22.7 78 103 A K > - 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