==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 26-JUL-07 2QQB . COMPND 2 MOLECULE: DIPHTHERIA TOXIN REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR J.A.D'AQUINO,J.R.LATTIMER,A.DENNINGER,K.E.D'AQUINO,D.RINGE . 214 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 68.2 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 . 28 13.1 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 1 0 2 0 1 0 1 1 0 1 1 0 0 0 0 0 0 0 0 1 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 . 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 D 0 0 192 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-140.4 -18.4 -17.0 -2.3 2 4 A L - 0 0 33 1,-0.2 2,-2.6 30,-0.0 6,-0.3 0.479 360.0-155.4 -69.8 -7.1 -16.6 -18.4 -5.5 3 5 A V S S+ 0 0 81 4,-0.1 2,-0.4 1,-0.0 -1,-0.2 -0.342 81.2 23.8 61.7 -65.5 -14.6 -20.7 -3.1 4 6 A D S > S- 0 0 60 -2,-2.6 4,-2.6 1,-0.1 -1,-0.0 -0.921 73.8-167.1-127.6 111.8 -11.7 -21.0 -5.6 5 7 A T H > S+ 0 0 65 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.902 86.7 47.0 -66.5 -52.3 -11.6 -18.1 -8.2 6 8 A T H > S+ 0 0 34 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 113.4 50.2 -56.4 -49.7 -9.3 -19.5 -10.7 7 9 A E H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.964 106.9 55.1 -60.7 -49.8 -11.2 -22.9 -10.7 8 10 A A H X S+ 0 0 4 -4,-2.6 4,-1.9 -6,-0.3 -1,-0.2 0.869 111.6 44.6 -36.1 -52.9 -14.6 -21.0 -11.2 9 11 A Y H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.799 112.8 51.6 -67.0 -37.6 -13.1 -19.3 -14.4 10 12 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.2 -2,-0.2 0.931 113.3 42.3 -65.3 -51.5 -11.7 -22.6 -15.6 11 13 A R H X S+ 0 0 10 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.840 113.6 55.3 -65.3 -38.8 -15.0 -24.5 -15.3 12 14 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.970 108.6 46.6 -55.5 -54.7 -16.9 -21.4 -16.8 13 15 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 111.8 51.5 -56.8 -44.9 -14.6 -21.5 -19.8 14 16 A Y H X S+ 0 0 21 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.966 110.9 48.6 -54.1 -51.9 -15.1 -25.3 -20.2 15 17 A E H X S+ 0 0 32 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.892 109.0 50.2 -65.1 -42.7 -18.9 -24.9 -20.0 16 18 A L H <>S+ 0 0 1 -4,-2.7 5,-2.2 2,-0.2 4,-0.4 0.927 111.7 51.9 -49.5 -52.7 -19.0 -22.1 -22.7 17 19 A E H ><5S+ 0 0 31 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.925 108.6 49.8 -51.3 -46.4 -16.8 -24.4 -24.8 18 20 A E H 3<5S+ 0 0 61 -4,-2.9 180,-0.3 1,-0.3 -1,-0.2 0.826 109.1 51.0 -64.8 -32.8 -19.4 -27.3 -24.3 19 21 A E T 3<5S- 0 0 77 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.466 118.8-113.2 -81.0 0.7 -22.3 -25.1 -25.3 20 22 A G T < 5S+ 0 0 1 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.517 71.5 139.4 73.4 11.2 -20.4 -24.1 -28.5 21 23 A V < - 0 0 27 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.493 62.0-109.2 -80.4 149.7 -20.0 -20.4 -27.3 22 24 A T - 0 0 60 -2,-0.2 2,-1.9 -3,-0.1 5,-0.1 -0.760 34.5-120.8 -81.7 125.0 -16.7 -18.5 -27.8 23 25 A P + 0 0 12 0, 0.0 37,-3.0 0, 0.0 2,-0.3 -0.535 47.7 171.3 -71.4 82.3 -15.1 -18.2 -24.3 24 26 A L B > -A 59 0A 68 -2,-1.9 4,-2.7 35,-0.2 3,-0.3 -0.716 44.9-121.6 -91.8 147.1 -14.9 -14.4 -24.3 25 27 A R H > S+ 0 0 71 33,-0.6 4,-3.1 -2,-0.3 5,-0.2 0.909 115.4 51.4 -49.8 -45.8 -14.0 -12.4 -21.2 26 28 A A H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.840 109.5 51.5 -64.7 -30.6 -17.4 -10.6 -21.4 27 29 A R H > S+ 0 0 98 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.952 111.8 44.7 -69.4 -47.8 -19.1 -13.9 -21.6 28 30 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.927 112.5 52.9 -60.7 -50.5 -17.3 -15.2 -18.5 29 31 A A H X>S+ 0 0 7 -4,-3.1 5,-2.9 1,-0.2 4,-0.8 0.930 111.3 46.9 -49.3 -50.8 -18.0 -11.9 -16.7 30 32 A E H ><5S+ 0 0 146 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.921 112.5 48.9 -59.1 -45.8 -21.7 -12.3 -17.4 31 33 A R H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 117.1 40.3 -65.6 -33.5 -21.8 -16.0 -16.3 32 34 A L H 3<5S- 0 0 30 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.502 107.3-123.0 -94.1 -1.8 -20.0 -15.3 -13.1 33 35 A E T <<5 + 0 0 171 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.934 69.3 131.5 47.9 54.8 -21.8 -12.1 -12.4 34 36 A Q < - 0 0 70 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.824 61.1 -96.7-121.9 170.8 -18.5 -10.4 -12.2 35 37 A S > - 0 0 56 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.454 27.0-119.6 -84.7 155.2 -17.3 -7.2 -13.8 36 38 A G H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.962 115.5 46.9 -60.0 -57.0 -15.3 -7.1 -17.0 37 39 A P H > S+ 0 0 86 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.831 111.0 51.5 -62.8 -31.0 -12.4 -5.3 -15.3 38 40 A T H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 110.1 53.0 -64.9 -35.8 -12.5 -7.8 -12.4 39 41 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.924 107.3 48.8 -67.0 -46.3 -12.5 -10.5 -15.1 40 42 A S H X S+ 0 0 51 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.852 107.9 55.6 -61.5 -35.1 -9.3 -9.1 -16.8 41 43 A Q H X S+ 0 0 143 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.950 112.1 42.3 -61.9 -44.6 -7.6 -8.9 -13.5 42 44 A T H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.903 113.0 52.4 -66.4 -41.9 -8.2 -12.6 -12.9 43 45 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.924 105.1 56.8 -62.1 -47.0 -7.3 -13.5 -16.5 44 46 A A H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.903 111.5 42.5 -41.8 -59.7 -4.0 -11.6 -16.1 45 47 A R H X S+ 0 0 112 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.789 110.8 54.1 -61.9 -37.8 -3.1 -13.8 -13.1 46 48 A M H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 6,-0.7 0.858 109.0 51.6 -62.8 -37.4 -4.3 -17.0 -14.8 47 49 A E H ><5S+ 0 0 91 -4,-2.6 3,-1.7 3,-0.2 -2,-0.2 0.985 110.8 46.1 -56.4 -62.5 -2.0 -16.0 -17.7 48 50 A R H 3<5S+ 0 0 158 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.745 112.0 52.0 -36.2 -47.8 1.0 -15.6 -15.2 49 51 A D T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.488 118.0-117.4 -76.4 -14.3 0.0 -18.9 -13.6 50 52 A G T < 5S+ 0 0 32 -3,-1.7 16,-0.4 -4,-0.5 15,-0.2 0.604 82.7 113.7 92.1 16.3 0.1 -20.6 -17.1 51 53 A L S - 0 0 19 4,-2.4 3,-3.7 -2,-0.8 4,-0.0 -0.290 28.5 -90.7 -82.3 161.3 -5.7 -15.1 -28.3 56 58 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.873 128.6 48.5 -28.6 -63.9 -5.7 -12.7 -31.3 57 59 A D T 3 S- 0 0 100 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.365 121.0-108.4 -73.9 3.7 -9.5 -12.7 -31.4 58 60 A R S < S+ 0 0 146 -3,-3.7 -33,-0.6 1,-0.3 -2,-0.1 0.447 73.1 141.9 86.1 1.8 -9.6 -12.1 -27.7 59 61 A S B -A 24 0A 12 -35,-0.1 -4,-2.4 1,-0.1 2,-0.5 -0.414 58.7-114.9 -67.0 138.6 -10.9 -15.7 -26.9 60 62 A L E -B 54 0B 2 -37,-3.0 2,-0.6 -6,-0.2 -6,-0.2 -0.759 31.3-162.4 -79.9 125.3 -9.5 -17.3 -23.8 61 63 A Q E -B 53 0B 107 -8,-3.8 -8,-2.3 -2,-0.5 2,-0.2 -0.950 13.3-136.5-112.7 111.6 -7.4 -20.3 -25.0 62 64 A M E -B 52 0B 14 -2,-0.6 -10,-0.3 -10,-0.2 -11,-0.1 -0.478 15.3-128.3 -71.1 134.9 -6.8 -22.7 -22.2 63 65 A T > - 0 0 35 -12,-1.3 4,-2.8 -2,-0.2 5,-0.3 -0.444 35.7-101.0 -64.5 156.1 -3.2 -24.1 -22.0 64 66 A P H > S+ 0 0 108 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.860 127.5 48.5 -46.0 -41.3 -3.1 -27.8 -21.9 65 67 A T H > S+ 0 0 101 -15,-0.2 4,-2.6 2,-0.2 5,-0.1 0.904 111.6 50.5 -62.9 -47.2 -2.5 -27.7 -18.1 66 68 A G H > S+ 0 0 0 -16,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.876 111.5 47.3 -52.3 -44.6 -5.4 -25.2 -17.7 67 69 A R H X S+ 0 0 32 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.864 109.0 55.0 -76.1 -32.9 -7.6 -27.5 -19.7 68 70 A T H X S+ 0 0 72 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.946 112.1 42.7 -62.1 -49.1 -6.6 -30.4 -17.6 69 71 A L H X S+ 0 0 57 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.980 111.8 53.7 -55.3 -60.0 -7.6 -28.6 -14.4 70 72 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.832 110.1 48.6 -42.5 -44.3 -10.8 -27.3 -15.9 71 73 A T H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.927 112.7 47.5 -63.5 -47.8 -11.7 -30.9 -16.8 72 74 A A H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.883 112.4 49.2 -58.0 -55.2 -10.8 -32.1 -13.2 73 75 A V H X S+ 0 0 1 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.916 113.7 48.0 -49.2 -51.8 -12.9 -29.3 -11.7 74 76 A M H X S+ 0 0 1 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.830 109.8 50.3 -58.3 -42.5 -15.8 -30.2 -14.0 75 77 A R H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.903 111.9 48.4 -62.3 -46.6 -15.6 -33.9 -13.2 76 78 A K H X S+ 0 0 19 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.866 112.1 51.1 -55.9 -42.4 -15.7 -33.1 -9.4 77 79 A H H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.961 112.4 44.3 -65.2 -50.9 -18.6 -30.8 -10.0 78 80 A R H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.881 114.0 48.3 -64.6 -43.8 -20.6 -33.4 -11.9 79 81 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.785 108.5 54.8 -64.7 -30.2 -19.9 -36.2 -9.5 80 82 A A H X S+ 0 0 0 -4,-1.7 4,-3.8 -5,-0.2 -2,-0.2 0.931 109.0 50.0 -67.7 -45.1 -20.8 -34.0 -6.5 81 83 A E H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.917 111.1 46.0 -54.1 -48.4 -24.1 -33.4 -8.3 82 84 A R H X>S+ 0 0 43 -4,-1.9 4,-3.5 2,-0.2 5,-0.6 0.927 116.8 48.3 -59.6 -47.2 -24.7 -37.2 -8.9 83 85 A L H X>S+ 0 0 25 -4,-2.5 5,-2.0 2,-0.2 4,-1.3 0.921 112.2 46.3 -59.7 -50.2 -23.7 -37.7 -5.2 84 86 A L H <>S+ 0 0 3 -4,-3.8 6,-2.3 3,-0.2 5,-1.0 0.920 124.0 34.9 -55.3 -46.5 -26.0 -34.9 -4.0 85 87 A T H <5S+ 0 0 39 -4,-2.7 -2,-0.2 4,-0.2 -3,-0.2 0.946 121.8 38.3 -69.9 -62.2 -28.9 -36.3 -6.2 86 88 A D H <5S+ 0 0 70 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.871 133.6 14.1 -67.2 -36.6 -28.6 -40.1 -6.2 87 89 A I T <> - 0 0 79 1,-0.2 3,-2.9 -2,-0.1 4,-0.9 -0.223 38.3-128.1 -51.6 121.4 -33.5 -30.9 -3.4 92 94 A I H 3> S+ 0 0 87 1,-0.3 4,-0.6 2,-0.2 3,-0.3 0.760 106.5 63.3 -42.0 -38.4 -32.8 -30.9 -7.1 93 95 A N H 34 S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.668 110.9 37.5 -60.7 -21.0 -33.1 -27.0 -7.1 94 96 A K H <> S+ 0 0 123 -3,-2.9 4,-2.0 2,-0.1 -1,-0.2 0.494 91.2 92.3-107.9 -5.9 -30.1 -26.7 -4.7 95 97 A V H X S+ 0 0 0 -4,-0.9 4,-2.6 -3,-0.3 5,-0.1 0.899 89.1 44.9 -56.6 -45.4 -28.0 -29.6 -6.2 96 98 A H H X S+ 0 0 69 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.885 111.5 50.7 -60.4 -49.2 -26.0 -27.3 -8.6 97 99 A D H 4 S+ 0 0 94 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.866 113.8 46.0 -64.1 -39.7 -25.4 -24.5 -6.1 98 100 A E H >X S+ 0 0 47 -4,-2.0 3,-2.3 2,-0.2 4,-2.1 0.972 110.0 51.5 -61.1 -58.3 -24.0 -26.9 -3.6 99 101 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.725 100.2 68.2 -50.3 -25.4 -21.8 -28.8 -6.2 100 102 A D H 3< S+ 0 0 57 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.724 108.9 34.9 -69.4 -24.3 -20.5 -25.2 -7.0 101 103 A R H X4 S+ 0 0 110 -3,-2.3 3,-1.4 -4,-0.4 4,-0.3 0.877 117.8 51.2 -93.8 -44.2 -18.9 -25.3 -3.5 102 104 A W H >X S+ 0 0 76 -4,-2.1 3,-1.6 1,-0.3 4,-1.6 0.780 93.6 72.9 -66.4 -30.1 -18.0 -29.0 -3.4 103 105 A E T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 1,-0.3 -27,-0.1 0.798 98.3 50.3 -50.3 -32.2 -16.2 -28.9 -6.8 104 106 A H T <4 S+ 0 0 23 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.553 116.7 36.5 -83.2 -12.5 -13.3 -27.0 -5.2 105 107 A V T <4 S+ 0 0 115 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.481 82.4 111.5-123.6 -4.3 -12.8 -29.3 -2.2 106 108 A M < - 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