==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 06-DEC-07 3BKF . COMPND 2 MOLECULE: NICKEL-RESPONSIVE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.M.PHILLIPS,E.R.SCHREITER,C.L.DRENNAN . 66 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 51 77.3 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 . 30 45.5 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 7 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 15.2 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+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 0 1 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 0 0 0 0 1 1 0 1 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 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 49 A G 0 0 87 0, 0.0 3,-0.0 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0-152.8 -4.7 19.1 1.0 2 50 A T + 0 0 93 39,-0.1 39,-6.2 1,-0.1 2,-0.4 0.599 360.0 62.8-104.5 -18.8 -4.7 17.6 -2.5 3 51 A Q E +A 40 0A 113 37,-0.3 64,-2.3 38,-0.1 2,-0.3 -0.894 69.8 82.7-112.0 141.5 -5.0 13.9 -1.3 4 52 A G E S-AB 39 66A 8 35,-1.7 35,-2.0 -2,-0.4 2,-0.3 -0.941 70.0 -58.0 169.7-147.8 -8.0 12.4 0.6 5 53 A F E -AB 38 65A 96 60,-2.3 60,-3.0 -2,-0.3 2,-0.3 -0.805 37.7-169.7-125.2 166.2 -11.4 11.0 0.1 6 54 A A E -AB 37 64A 0 31,-2.1 31,-2.9 -2,-0.3 2,-0.5 -0.989 17.5-139.3-154.7 154.9 -14.7 12.3 -1.4 7 55 A V E -AB 36 63A 39 56,-2.6 56,-3.2 -2,-0.3 2,-0.6 -0.978 17.0-170.5-121.9 117.0 -18.3 11.4 -1.7 8 56 A L E +AB 35 62A 1 27,-2.8 27,-3.2 -2,-0.5 2,-0.4 -0.938 10.6 179.4-106.5 121.1 -20.0 12.0 -5.0 9 57 A S E +AB 34 61A 32 52,-2.8 52,-2.8 -2,-0.6 2,-0.3 -0.947 9.3 147.3-125.0 147.5 -23.8 11.6 -5.0 10 58 A Y E -A 33 0A 21 23,-1.9 23,-3.1 -2,-0.4 2,-0.5 -0.979 42.0-111.5-167.2 162.9 -26.3 12.0 -7.8 11 59 A V E -AB 32 58A 17 47,-3.0 47,-2.9 -2,-0.3 2,-0.5 -0.912 29.3-145.9-106.5 129.6 -29.6 10.7 -9.2 12 60 A Y E AB 31 57A 95 19,-3.3 19,-1.8 -2,-0.5 45,-0.2 -0.838 360.0 360.0-101.6 131.0 -29.5 8.8 -12.5 13 61 A E 0 0 118 43,-2.3 17,-0.3 -2,-0.5 16,-0.1 -0.031 360.0 360.0 39.6 360.0 -32.4 9.1 -15.0 14 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 15 79 A H 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.1 -11.0 3.7 -12.4 16 80 A D + 0 0 166 2,-0.2 22,-0.0 1,-0.1 3,-0.0 0.402 360.0 78.5 68.8 -4.4 -8.8 3.1 -9.4 17 81 A L S S+ 0 0 20 20,-0.1 21,-2.2 26,-0.1 2,-0.5 0.695 75.5 83.2-100.0 -28.9 -10.3 6.3 -8.1 18 82 A S E +C 37 0A 43 19,-0.2 19,-0.2 1,-0.2 -2,-0.2 -0.645 49.0 176.9 -81.1 124.0 -13.5 4.6 -7.0 19 83 A V E S- 0 0 79 17,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.862 72.5 -18.1 -89.8 -46.3 -13.3 2.8 -3.6 20 84 A A E -C 36 0A 55 16,-1.2 16,-3.3 2,-0.0 -1,-0.4 -0.973 58.1-155.7-160.5 145.7 -16.9 1.7 -3.5 21 85 A T E -C 35 0A 62 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.996 7.1-158.9-131.4 131.8 -20.1 2.7 -5.3 22 86 A L E -C 34 0A 102 12,-3.2 12,-2.9 -2,-0.4 2,-0.5 -0.934 1.6-164.7-113.7 130.9 -23.6 2.2 -3.9 23 87 A H E -C 33 0A 108 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.959 10.1-179.4-113.0 127.0 -26.7 2.1 -6.2 24 88 A V E -C 32 0A 65 8,-2.9 8,-3.5 -2,-0.5 2,-0.4 -0.995 24.8-127.6-129.2 130.2 -30.0 2.5 -4.5 25 89 A H E +C 31 0A 154 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.639 23.2 178.6 -82.8 129.1 -33.3 2.5 -6.3 26 90 A I - 0 0 88 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.814 67.7 -42.6 -90.5 -41.4 -35.7 5.4 -5.7 27 91 A N S S- 0 0 73 3,-1.6 -1,-0.4 1,-0.0 0, 0.0 -0.924 81.7 -55.0-168.8-171.6 -38.4 4.2 -8.1 28 92 A H S S+ 0 0 193 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.822 132.9 25.6 -50.3 -38.6 -39.0 2.6 -11.5 29 93 A D S S+ 0 0 107 -16,-0.1 2,-0.4 1,-0.1 -1,-0.2 0.763 111.4 67.1-101.3 -29.2 -37.0 5.4 -13.3 30 94 A D - 0 0 33 -17,-0.3 -4,-2.6 -19,-0.0 -3,-1.6 -0.824 49.1-172.8-109.5 136.7 -34.5 6.9 -10.8 31 95 A C E -AC 12 25A 9 -19,-1.8 -19,-3.3 -2,-0.4 2,-0.6 -0.974 18.1-143.0-119.9 129.7 -31.4 5.4 -9.1 32 96 A L E -AC 11 24A 61 -8,-3.5 -8,-2.9 -2,-0.4 2,-0.5 -0.828 22.4-164.6 -91.0 124.7 -29.6 7.2 -6.4 33 97 A E E -AC 10 23A 25 -23,-3.1 -23,-1.9 -2,-0.6 2,-0.5 -0.952 11.0-172.4-118.4 132.0 -25.8 6.6 -6.8 34 98 A I E -AC 9 22A 45 -12,-2.9 -12,-3.2 -2,-0.5 2,-0.5 -0.979 5.8-169.7-122.1 119.8 -23.2 7.3 -4.2 35 99 A A E -AC 8 21A 1 -27,-3.2 -27,-2.8 -2,-0.5 2,-0.6 -0.939 11.5-152.9-115.9 128.0 -19.5 6.9 -5.1 36 100 A V E -AC 7 20A 51 -16,-3.3 -17,-3.3 -2,-0.5 -16,-1.2 -0.870 23.3-172.2 -97.4 119.6 -16.7 7.0 -2.5 37 101 A L E -AC 6 18A 0 -31,-2.9 -31,-2.1 -2,-0.6 2,-0.3 -0.782 11.0-174.4-113.9 156.0 -13.6 8.2 -4.2 38 102 A K E +A 5 0A 109 -21,-2.2 2,-0.3 -2,-0.3 -33,-0.2 -0.982 40.1 57.8-151.1 138.5 -10.0 8.5 -3.0 39 103 A G E S+A 4 0A 16 -35,-2.0 -35,-1.7 -2,-0.3 2,-0.3 -0.977 91.6 2.5 144.4-154.8 -6.8 9.9 -4.5 40 104 A D E >> -A 3 0A 50 -2,-0.3 4,-2.4 -37,-0.2 3,-0.6 -0.484 62.0-135.3 -67.5 126.7 -5.7 13.3 -5.7 41 105 A M H 3> S+ 0 0 27 -39,-6.2 4,-2.2 -2,-0.3 -1,-0.2 0.766 105.9 57.3 -55.2 -25.8 -8.5 15.9 -5.1 42 106 A G H 3> S+ 0 0 27 -40,-0.4 4,-1.9 2,-0.2 -1,-0.3 0.904 108.0 44.6 -71.7 -41.8 -7.9 17.2 -8.6 43 107 A D H <> S+ 0 0 87 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.854 112.0 55.3 -69.1 -32.9 -8.5 13.8 -10.2 44 108 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.936 107.5 47.7 -64.7 -46.6 -11.5 13.4 -7.9 45 109 A Q H X S+ 0 0 85 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.895 111.1 51.6 -61.4 -40.3 -13.0 16.7 -9.2 46 110 A H H X S+ 0 0 109 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.846 107.8 52.4 -66.3 -34.1 -12.3 15.6 -12.8 47 111 A F H X S+ 0 0 33 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.963 111.1 46.4 -65.3 -49.5 -14.1 12.3 -12.2 48 112 A A H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.882 108.7 57.7 -59.2 -39.7 -17.1 14.2 -10.8 49 113 A D H X S+ 0 0 76 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.933 106.7 47.3 -56.0 -48.8 -17.0 16.5 -13.8 50 114 A D H < S+ 0 0 104 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.899 113.3 48.6 -62.4 -40.3 -17.3 13.6 -16.2 51 115 A V H >< S+ 0 0 24 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.944 111.5 47.4 -65.6 -48.2 -20.2 12.1 -14.3 52 116 A I H 3< S+ 0 0 74 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.744 101.8 65.9 -66.9 -22.6 -22.2 15.3 -14.0 53 117 A A T 3< S+ 0 0 77 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.611 83.0 102.2 -73.9 -11.9 -21.7 16.1 -17.7 54 118 A Q S X S- 0 0 114 -3,-1.5 3,-1.6 -4,-0.3 -3,-0.0 -0.551 79.6-115.6 -79.8 135.9 -23.8 13.0 -18.6 55 119 A R T 3 S+ 0 0 233 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.345 102.1 32.1 -63.3 146.9 -27.4 13.4 -19.7 56 120 A G T 3 S+ 0 0 35 1,-0.3 -43,-2.3 -44,-0.1 2,-0.6 0.219 91.1 115.4 88.8 -17.7 -29.8 11.8 -17.2 57 121 A V E < +B 12 0A 22 -3,-1.6 2,-0.3 -45,-0.2 -1,-0.3 -0.789 42.6 171.0 -90.1 122.4 -27.5 12.7 -14.3 58 122 A R E +B 11 0A 95 -47,-2.9 -47,-3.0 -2,-0.6 -3,-0.0 -0.904 48.5 21.2-131.7 159.0 -29.2 15.2 -11.9 59 123 A H E S- 0 0 146 -2,-0.3 2,-0.2 -49,-0.2 -1,-0.1 0.816 73.3-176.5 57.1 37.6 -28.5 16.7 -8.5 60 124 A G E + 0 0 37 -3,-0.2 2,-0.4 -50,-0.1 -50,-0.2 -0.438 3.8 178.3 -68.2 133.2 -24.8 15.9 -8.6 61 125 A H E -B 9 0A 117 -52,-2.8 -52,-2.8 -2,-0.2 2,-0.5 -0.995 15.8-160.0-139.8 134.5 -23.0 16.8 -5.4 62 126 A L E -B 8 0A 34 -2,-0.4 2,-0.7 -54,-0.2 -54,-0.2 -0.948 2.8-168.7-118.2 118.9 -19.4 16.3 -4.4 63 127 A Q E -B 7 0A 100 -56,-3.2 -56,-2.6 -2,-0.5 2,-0.3 -0.919 15.1-153.6-105.5 114.1 -18.3 16.4 -0.8 64 128 A C E -B 6 0A 60 -2,-0.7 -58,-0.2 -58,-0.2 -2,-0.0 -0.656 13.1-171.3 -91.0 144.3 -14.5 16.5 -0.5 65 129 A L E -B 5 0A 78 -60,-3.0 -60,-2.3 -2,-0.3 -2,-0.0 -0.707 10.8-162.6-133.1 79.8 -12.6 15.2 2.6 66 130 A P E B 4 0A 69 0, 0.0 -62,-0.3 0, 0.0 -64,-0.0 -0.349 360.0 360.0 -63.9 144.1 -8.9 16.2 2.4 67 131 A K 0 0 124 -64,-2.3 -64,-0.1 -2,-0.0 -63,-0.0 -0.048 360.0 360.0 -54.9 360.0 -6.7 14.2 4.7