==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATING PROTEIN 18-NOV-91 1PRA . COMPND 2 MOLECULE: 434 REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PHAGE 434; . AUTHOR D.NERI,M.BILLETER,K.WUTHRICH . 69 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 63.8 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 . 0 0.0 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 . 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 . 1 1.4 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 . 1 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 46.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.8 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 0 1 0 0 2 1 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 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 . 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 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 1 A S > 0 0 113 0, 0.0 4,-1.6 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 171.9 -4.0 11.4 3.1 2 2 A I H >> + 0 0 69 2,-0.2 4,-1.8 1,-0.2 3,-0.7 0.952 360.0 45.2 -50.5 -63.2 -3.1 8.4 0.7 3 3 A S H 3> S+ 0 0 27 32,-0.3 4,-3.2 1,-0.3 5,-0.4 0.868 107.1 60.5 -58.3 -36.1 -0.4 7.0 2.9 4 4 A S H 3> S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.926 106.3 47.4 -54.6 -44.2 -2.6 7.3 6.0 5 5 A R H S+ 0 0 4 -4,-2.6 5,-2.4 -5,-0.2 4,-0.8 0.920 109.7 47.7 -54.1 -48.5 -1.7 -2.0 7.5 11 11 A I H ><5S+ 0 0 105 -4,-2.7 3,-1.3 2,-0.2 -2,-0.2 0.950 111.7 48.6 -60.1 -51.7 -2.0 -1.3 11.3 12 12 A Q H 3<5S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.887 110.6 51.7 -56.1 -41.3 -5.6 -2.6 11.4 13 13 A L H 3<5S- 0 0 78 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.669 111.9-128.2 -64.2 -20.2 -4.4 -5.7 9.4 14 14 A G T <<5 + 0 0 62 -3,-1.3 2,-0.3 -4,-0.8 -3,-0.2 0.782 68.1 122.4 71.9 30.3 -1.7 -6.0 12.2 15 15 A L < - 0 0 35 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.2 -0.787 53.1-132.2-118.7 164.0 1.0 -6.2 9.5 16 16 A N > - 0 0 70 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.582 32.1 -97.5-111.8 172.0 4.1 -4.0 8.8 17 17 A Q H > S+ 0 0 33 2,-0.2 4,-2.9 1,-0.2 14,-0.1 0.846 121.9 50.6 -58.6 -39.1 5.6 -2.4 5.7 18 18 A A H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 111.8 46.2 -67.8 -50.3 8.1 -5.3 5.1 19 19 A E H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.939 114.0 49.5 -54.1 -50.1 5.4 -8.0 5.4 20 20 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.952 108.6 53.4 -54.8 -50.0 3.2 -5.9 3.1 21 21 A A H X>S+ 0 0 2 -4,-2.9 5,-2.9 1,-0.2 4,-2.5 0.912 112.1 44.7 -50.2 -47.7 6.2 -5.6 0.7 22 22 A Q H <5S+ 0 0 163 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.918 113.0 50.0 -64.4 -44.2 6.5 -9.4 0.6 23 23 A K H <5S+ 0 0 138 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.855 115.5 44.1 -61.4 -37.2 2.7 -9.9 0.2 24 24 A V H <5S- 0 0 9 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.845 116.1-121.0 -71.1 -37.7 2.9 -7.3 -2.7 25 25 A G T <5S+ 0 0 61 -4,-2.5 -3,-0.2 -5,-0.3 2,-0.2 0.806 77.7 92.0 91.0 41.5 6.0 -9.1 -4.0 26 26 A T S > - 0 0 81 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.814 31.4-119.5-111.2 145.9 10.8 -4.4 -1.4 28 28 A Q H 3> S+ 0 0 95 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.877 115.1 63.5 -48.8 -41.1 10.1 -2.4 1.8 29 29 A Q H 3> S+ 0 0 127 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.894 101.3 49.9 -51.2 -45.0 11.9 0.5 0.1 30 30 A S H <> S+ 0 0 21 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.902 112.0 47.5 -61.4 -43.7 9.2 0.5 -2.6 31 31 A I H X S+ 0 0 0 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.951 112.1 48.9 -63.6 -48.9 6.5 0.6 0.0 32 32 A E H X S+ 0 0 105 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.913 109.7 53.4 -58.8 -44.2 8.2 3.4 2.0 33 33 A Q H X>S+ 0 0 73 -4,-2.8 5,-2.6 -5,-0.2 4,-0.7 0.916 111.7 45.0 -53.3 -49.0 8.6 5.3 -1.3 34 34 A L H ><5S+ 0 0 20 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.956 111.6 53.4 -61.8 -47.2 4.8 5.0 -1.9 35 35 A E H 3<5S+ 0 0 22 -4,-3.1 -32,-0.3 1,-0.3 -2,-0.2 0.917 111.1 44.4 -54.7 -49.0 4.1 5.9 1.7 36 36 A N H 3<5S- 0 0 103 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.632 117.1-120.6 -73.0 -8.3 6.2 9.2 1.5 37 37 A G T <<5 + 0 0 45 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.812 62.2 147.4 76.4 36.5 4.4 9.7 -1.9 38 38 A K < + 0 0 155 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.084 57.0 65.1 -90.6 25.9 7.5 9.8 -4.2 39 39 A T - 0 0 58 -6,-0.2 0, 0.0 -5,-0.2 0, 0.0 -0.952 62.4-151.5-140.4 164.5 5.7 8.1 -7.1 40 40 A K S S+ 0 0 205 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.807 89.7 8.5 -98.9 -46.5 2.8 9.0 -9.4 41 41 A R S S- 0 0 189 4,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.957 74.9-137.7-139.3 118.0 1.4 5.5 -10.2 42 42 A P > - 0 0 19 0, 0.0 3,-1.1 0, 0.0 6,-0.1 -0.605 6.6-144.4 -73.7 135.2 2.6 2.4 -8.4 43 43 A R T 3 S+ 0 0 213 -2,-0.3 2,-0.5 1,-0.3 4,-0.2 0.911 101.4 61.9 -55.9 -40.7 3.2 -0.7 -10.7 44 44 A F T 3> + 0 0 14 1,-0.2 4,-2.9 2,-0.1 5,-0.3 -0.055 63.7 126.1 -84.8 34.7 1.9 -2.7 -7.7 45 45 A L H <> S+ 0 0 29 -3,-1.1 4,-2.8 -2,-0.5 -1,-0.2 0.970 81.6 37.4 -51.3 -58.4 -1.6 -1.1 -7.7 46 46 A P H > S+ 0 0 77 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.918 117.1 52.8 -65.2 -41.4 -3.4 -4.5 -7.9 47 47 A E H > S+ 0 0 75 2,-0.2 4,-2.7 -4,-0.2 -2,-0.2 0.882 113.0 43.5 -59.0 -43.3 -0.8 -6.2 -5.6 48 48 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 5,-0.4 0.963 113.8 51.4 -65.2 -51.1 -1.3 -3.4 -2.9 49 49 A A H X>S+ 0 0 6 -4,-2.8 5,-2.5 -5,-0.3 4,-2.2 0.912 116.1 40.6 -52.7 -47.1 -5.1 -3.6 -3.4 50 50 A S H <5S+ 0 0 83 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.922 109.6 59.5 -67.4 -46.4 -5.0 -7.4 -2.9 51 51 A A H <5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.3 28.0 -50.8 -47.5 -2.4 -7.2 -0.1 52 52 A L H <5S- 0 0 16 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.774 110.2-122.5 -80.3 -31.7 -4.8 -5.0 2.0 53 53 A G T <5 + 0 0 62 -4,-2.2 2,-0.2 -5,-0.4 -3,-0.2 0.909 69.8 118.1 81.2 50.6 -8.0 -6.5 0.4 54 54 A V < - 0 0 36 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.786 68.1 -89.3-129.1 175.9 -9.4 -3.2 -0.9 55 55 A S >> - 0 0 71 -2,-0.2 4,-2.3 1,-0.1 3,-0.7 -0.654 23.5-127.1 -88.9 146.6 -10.2 -2.0 -4.5 56 56 A V H 3> S+ 0 0 52 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.904 113.9 62.0 -53.0 -42.6 -7.7 -0.1 -6.7 57 57 A D H 3> S+ 0 0 109 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.873 105.9 45.1 -50.5 -41.4 -10.5 2.5 -7.0 58 58 A W H <4 S+ 0 0 39 -3,-0.7 -1,-0.2 3,-0.2 -2,-0.2 0.870 108.3 55.6 -76.0 -37.3 -10.2 3.0 -3.3 59 59 A L H < S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.932 116.7 38.8 -55.4 -41.5 -6.4 3.1 -3.4 60 60 A L H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.976 136.9 16.2 -73.4 -57.0 -6.8 5.9 -6.0 61 61 A N S < S- 0 0 99 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.1 0.971 84.5-161.8 -80.6 -64.7 -9.8 7.8 -4.4 62 62 A G + 0 0 10 -5,-0.5 2,-0.4 1,-0.2 -4,-0.1 0.989 29.8 145.2 77.3 69.4 -9.7 6.4 -0.9 63 63 A T + 0 0 113 3,-0.0 -1,-0.2 0, 0.0 2,-0.2 -0.970 7.9 152.9-140.9 113.0 -13.1 7.2 0.6 64 64 A S S S- 0 0 88 1,-0.7 -6,-0.0 -2,-0.4 0, 0.0 -0.682 70.4 -57.2-141.1 82.2 -14.9 4.7 3.0 65 65 A D - 0 0 142 -2,-0.2 -1,-0.7 1,-0.1 2,-0.2 0.133 53.3-126.4 63.5 171.6 -17.2 6.8 5.2 66 66 A S - 0 0 107 -3,-0.1 2,-0.6 0, 0.0 -1,-0.1 -0.772 21.5-178.7-155.9 114.1 -16.1 9.7 7.5 67 67 A N - 0 0 138 1,-0.4 -2,-0.0 -2,-0.2 0, 0.0 -0.782 68.2 -37.5-120.1 82.3 -16.8 9.9 11.2 68 68 A V 0 0 126 -2,-0.6 -1,-0.4 1,-0.0 0, 0.0 0.402 360.0 360.0 70.6 149.5 -15.3 13.2 12.5 69 69 A R 0 0 285 -3,-0.1 -2,-0.1 0, 0.0 -1,-0.0 0.667 360.0 360.0 59.8 360.0 -12.0 14.7 11.3