==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GENE REGULATING PROTEIN 08-NOV-96 1R63 . COMPND 2 MOLECULE: REPRESSOR PROTEIN FROM BACTERIOPHAGE 434; . SOURCE 2 ORGANISM_SCIENTIFIC: PHAGE 434; . AUTHOR K.V.PERVUSHIN,M.BILLETER,G.SIEGAL,K.WUTHRICH . 63 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 65.1 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 50.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 7.9 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 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 0 107 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 144.3 -1.7 -12.9 1.1 2 2 A I H > + 0 0 36 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.961 360.0 41.7 -59.9 -54.4 0.0 -9.8 -0.3 3 3 A S H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.925 110.3 58.3 -61.5 -49.5 -3.1 -8.3 -1.9 4 4 A S H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.921 110.8 42.8 -43.6 -59.0 -5.3 -9.2 1.1 5 5 A R H X S+ 0 0 19 -4,-2.3 4,-3.1 1,-0.2 5,-0.4 0.943 111.8 52.4 -54.4 -55.7 -3.0 -7.1 3.4 6 6 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.825 118.6 36.1 -63.4 -33.9 -2.6 -4.2 1.1 7 7 A K H >X S+ 0 0 87 -4,-2.7 4,-2.3 28,-0.3 3,-0.7 0.963 118.8 47.6 -72.1 -62.5 -6.4 -3.8 0.7 8 8 A S H 3X S+ 0 0 66 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.801 110.1 50.8 -58.7 -36.4 -7.6 -4.7 4.2 9 9 A K H 3X S+ 0 0 59 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.3 0.900 110.4 51.1 -66.8 -38.4 -5.1 -2.5 6.1 10 10 A R H S+ 0 0 3 -3,-0.7 4,-1.9 -4,-0.6 5,-1.6 0.950 111.3 47.5 -59.9 -47.0 -6.1 0.4 3.9 11 11 A I H <5S+ 0 0 113 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.919 110.2 53.6 -56.6 -47.0 -9.8 -0.4 4.7 12 12 A Q H <5S+ 0 0 135 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.931 111.3 44.5 -53.8 -51.7 -8.7 -0.6 8.4 13 13 A L H <5S- 0 0 64 -4,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.773 110.2-127.4 -64.7 -28.9 -7.1 2.8 8.3 14 14 A G T <5 + 0 0 56 -4,-1.9 2,-0.4 1,-0.4 -3,-0.2 0.618 66.4 129.7 86.1 15.5 -10.2 4.1 6.4 15 15 A L < - 0 0 32 -5,-1.6 -1,-0.4 4,-0.1 -2,-0.1 -0.803 53.4-135.6 -90.4 140.1 -8.1 5.6 3.5 16 16 A N > - 0 0 103 -2,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.392 37.9 -93.7 -74.7 174.4 -9.1 4.7 -0.0 17 17 A Q H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.809 126.4 60.6 -49.7 -32.2 -6.4 3.7 -2.5 18 18 A A H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.986 108.4 35.9 -69.0 -58.5 -6.5 7.4 -3.4 19 19 A E H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 117.5 54.9 -63.0 -39.9 -5.6 9.0 -0.1 20 20 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.966 108.0 48.8 -54.4 -54.3 -3.2 6.1 0.6 21 21 A A H X>S+ 0 0 3 -4,-2.4 5,-2.3 1,-0.2 4,-1.0 0.915 111.8 49.8 -49.2 -48.8 -1.4 6.8 -2.7 22 22 A Q H ><5S+ 0 0 147 -4,-2.3 3,-0.6 2,-0.2 -1,-0.2 0.915 110.5 48.2 -61.6 -45.9 -1.2 10.5 -1.9 23 23 A K H 3<5S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.937 114.6 46.9 -59.3 -45.5 0.3 9.9 1.6 24 24 A V H 3<5S- 0 0 14 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.667 111.5-127.1 -65.5 -20.3 2.8 7.4 0.0 25 25 A G T <<5S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.6 2,-0.1 0.762 77.7 105.8 67.7 25.7 3.5 10.1 -2.7 26 26 A T S - 0 0 88 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.909 23.7-112.3-129.8 157.4 -0.5 7.4 -7.5 28 28 A Q H > S+ 0 0 103 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.849 114.4 61.1 -56.8 -36.8 -3.7 5.5 -7.1 29 29 A Q H > S+ 0 0 148 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.955 105.0 45.6 -59.4 -54.4 -2.9 3.4 -10.3 30 30 A S H > S+ 0 0 36 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.950 113.8 50.7 -49.2 -51.6 0.3 2.0 -8.7 31 31 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.855 107.6 55.0 -56.7 -36.2 -1.7 1.3 -5.6 32 32 A E H X S+ 0 0 96 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.980 112.1 40.4 -61.4 -57.2 -4.4 -0.4 -7.8 33 33 A Q H X>S+ 0 0 78 -4,-2.3 5,-2.9 1,-0.2 4,-0.6 0.893 116.9 51.4 -59.2 -38.5 -2.0 -2.9 -9.4 34 34 A L H ><5S+ 0 0 2 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.918 107.4 51.5 -65.3 -44.2 -0.3 -3.3 -6.0 35 35 A E H 3<5S+ 0 0 17 -4,-2.9 -28,-0.3 1,-0.3 -2,-0.2 0.917 108.1 52.1 -57.5 -44.3 -3.6 -4.0 -4.3 36 36 A N H 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.659 124.2-113.6 -68.9 -12.2 -4.2 -6.7 -7.0 37 37 A G T <<5S+ 0 0 17 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.712 74.1 135.9 92.9 25.4 -0.7 -8.0 -5.9 38 38 A K < + 0 0 170 -5,-2.9 2,-0.3 -6,-0.1 -4,-0.2 0.820 59.7 65.8 -74.1 -31.0 1.2 -7.2 -9.1 39 39 A T + 0 0 34 -6,-0.2 0, 0.0 -9,-0.1 0, 0.0 -0.666 46.6 162.4 -95.2 145.6 4.2 -5.7 -7.3 40 40 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -38,-0.0 -2,-0.0 0.584 82.8 25.4-125.9 -48.6 6.5 -7.9 -5.0 41 41 A R S S+ 0 0 158 4,-0.0 2,-0.1 3,-0.0 19,-0.0 -0.565 82.9 175.4-120.4 57.7 9.7 -5.8 -4.6 42 42 A P > - 0 0 12 0, 0.0 3,-1.4 0, 0.0 -3,-0.0 -0.401 38.6-128.7 -67.3 146.7 8.3 -2.2 -5.2 43 43 A R T 3 S+ 0 0 238 1,-0.3 4,-0.2 2,-0.1 0, 0.0 0.858 110.3 55.5 -60.3 -34.9 10.7 0.7 -4.8 44 44 A F T 3> S+ 0 0 36 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 -0.010 70.0 120.5 -91.5 28.4 8.1 2.3 -2.5 45 45 A L H <> S+ 0 0 13 -3,-1.4 4,-2.9 1,-0.2 -1,-0.2 0.979 78.4 42.5 -54.5 -58.2 7.9 -0.7 -0.1 46 46 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.829 112.5 55.3 -63.0 -29.6 8.9 1.3 3.0 47 47 A E H > S+ 0 0 108 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.969 111.7 42.4 -66.2 -49.9 6.7 4.2 2.0 48 48 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.930 113.8 54.6 -54.7 -47.7 3.7 1.9 1.8 49 49 A A H X>S+ 0 0 6 -4,-2.9 5,-2.4 -5,-0.2 4,-2.3 0.901 112.6 41.9 -54.8 -46.8 4.9 0.3 5.0 50 50 A S H <5S+ 0 0 89 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.957 114.5 49.2 -66.9 -52.5 5.0 3.7 6.8 51 51 A A H <5S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.916 120.5 37.0 -59.3 -46.0 1.7 5.0 5.4 52 52 A L H <5S- 0 0 7 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.901 109.3-129.4 -64.4 -43.1 -0.1 1.8 6.4 53 53 A G T <5 + 0 0 54 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.922 63.6 122.1 83.7 58.8 2.0 1.5 9.6 54 54 A V < - 0 0 23 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.945 65.3 -90.4-142.8 159.0 3.1 -2.1 9.1 55 55 A S > - 0 0 50 -2,-0.3 4,-2.4 8,-0.3 5,-0.2 -0.348 25.0-124.8 -70.3 155.3 6.5 -3.8 8.9 56 56 A V H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.1 0.940 117.7 53.7 -53.6 -48.7 8.4 -4.3 5.6 57 57 A D H >>S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.8 0.879 106.2 50.0 -58.4 -44.9 8.4 -8.0 6.8 58 58 A W H 45S+ 0 0 50 3,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.955 113.6 46.1 -59.0 -48.3 4.6 -8.0 7.3 59 59 A L H <5S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.815 117.0 45.1 -66.2 -31.5 4.1 -6.6 3.8 60 60 A L H <5S- 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.979 146.0 -19.7 -67.0 -71.9 6.6 -9.1 2.3 61 61 A N T <5S- 0 0 114 -4,-2.6 -3,-0.2 -5,-0.1 2,-0.1 0.850 96.8 -89.9-100.5 -77.9 5.3 -12.1 4.2 62 62 A G < 0 0 32 -5,-0.8 -4,-0.2 -57,-0.0 -3,-0.1 -0.241 360.0 360.0 145.5 100.1 3.1 -11.3 7.2 63 63 A T 0 0 140 -2,-0.1 -8,-0.3 -8,-0.1 -5,-0.1 -0.991 360.0 360.0-138.5 360.0 4.8 -11.0 10.6