==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-JUN-01 1JHZ . COMPND 2 MOLECULE: PURINE NUCLEOTIDE SYNTHESIS REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.HUFFMAN,F.LU,H.ZALKIN,R.G.BRENNAN . 552 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.2 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 0.2 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 . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.5 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 2 0 0 4 4 3 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 3 4 1 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 2 0 1 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 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 60 A K 0 0 109 0, 0.0 31,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.0 18.9 -8.6 34.8 2 61 A S E -a 32 0A 0 29,-0.2 56,-1.6 54,-0.2 57,-0.7 -0.942 360.0-164.7-120.4 139.5 16.0 -9.3 37.2 3 62 A I E -ab 33 59A 0 29,-2.8 31,-2.6 -2,-0.4 2,-0.4 -0.981 8.2-147.8-126.7 135.2 16.0 -11.7 40.1 4 63 A G E -ab 34 60A 0 55,-2.7 57,-3.4 -2,-0.4 2,-0.5 -0.822 8.6-169.1-104.3 140.1 13.0 -13.1 42.0 5 64 A L E -ab 35 61A 0 29,-2.5 31,-2.0 -2,-0.4 2,-0.7 -0.951 1.1-172.7-129.7 111.5 12.9 -13.9 45.7 6 65 A L E +ab 36 62A 0 55,-2.4 57,-1.5 -2,-0.5 2,-0.3 -0.918 19.1 164.2-107.7 114.3 10.0 -15.8 47.2 7 66 A A E -ab 37 63A 0 29,-1.6 31,-0.9 -2,-0.7 32,-0.3 -0.954 45.2-132.3-133.2 152.1 10.1 -16.1 50.9 8 67 A T S S- 0 0 14 55,-0.9 2,-0.3 -2,-0.3 -1,-0.1 0.954 99.0 -1.4 -61.3 -53.8 7.7 -16.9 53.8 9 68 A S > - 0 0 23 1,-0.1 3,-0.5 29,-0.1 -1,-0.3 -0.900 54.7-174.9-147.1 112.9 8.8 -13.9 55.8 10 69 A S T 3 S+ 0 0 3 -2,-0.3 9,-0.2 -3,-0.3 -1,-0.1 0.919 93.7 50.6 -70.4 -45.4 11.4 -11.3 54.8 11 70 A E T 3 S+ 0 0 83 4,-0.1 -1,-0.2 5,-0.1 2,-0.1 0.452 85.0 126.1 -73.1 0.9 11.2 -9.4 58.1 12 71 A A S <> S- 0 0 28 -3,-0.5 4,-3.0 1,-0.1 5,-0.2 -0.369 70.3-122.0 -62.9 136.7 11.6 -12.8 59.9 13 72 A A H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.896 106.8 40.6 -43.5 -58.9 14.5 -12.8 62.4 14 73 A Y H 4 S+ 0 0 62 1,-0.2 4,-0.5 2,-0.1 3,-0.4 0.948 122.8 36.8 -58.6 -57.0 16.5 -15.6 60.9 15 74 A F H >> S+ 0 0 17 -6,-0.2 4,-3.1 1,-0.2 3,-1.0 0.789 97.6 79.5 -69.3 -32.9 16.0 -14.8 57.2 16 75 A A H 3X S+ 0 0 17 -4,-3.0 4,-1.8 1,-0.3 -1,-0.2 0.854 95.7 46.9 -43.6 -47.8 16.2 -11.0 57.5 17 76 A E H 3X S+ 0 0 52 -4,-0.7 4,-1.1 -3,-0.4 -1,-0.3 0.800 115.0 46.9 -68.0 -29.9 20.0 -11.0 57.7 18 77 A I H <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.5 -2,-0.2 0.921 109.6 52.5 -76.8 -46.7 20.2 -13.4 54.7 19 78 A I H X S+ 0 0 2 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.895 107.5 53.1 -56.7 -41.5 17.8 -11.5 52.5 20 79 A E H X S+ 0 0 83 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.886 105.3 53.2 -64.1 -37.1 19.8 -8.4 53.1 21 80 A A H X S+ 0 0 0 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.925 111.3 48.0 -63.1 -40.7 23.0 -10.0 52.0 22 81 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.954 110.5 49.5 -62.8 -51.5 21.2 -11.0 48.8 23 82 A E H X S+ 0 0 6 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.926 111.1 51.8 -51.9 -48.8 19.8 -7.5 48.2 24 83 A K H X S+ 0 0 56 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.896 110.3 46.5 -56.7 -45.7 23.3 -6.1 48.7 25 84 A N H X S+ 0 0 19 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.850 110.1 56.1 -68.2 -32.3 24.8 -8.5 46.2 26 85 A C H >X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.8 0.967 109.7 42.4 -61.5 -57.3 22.0 -7.7 43.7 27 86 A F H ><5S+ 0 0 23 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.844 105.9 64.7 -60.2 -34.6 22.6 -4.0 43.7 28 87 A Q H 3<5S+ 0 0 140 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.872 110.7 37.5 -56.8 -38.2 26.3 -4.5 43.6 29 88 A K H <<5S- 0 0 111 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.444 117.5-111.8 -93.0 -2.1 25.9 -6.2 40.1 30 89 A G T <<5 + 0 0 29 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.561 68.8 144.0 83.4 9.5 23.1 -3.8 39.0 31 90 A Y < - 0 0 50 -5,-2.1 2,-0.3 -6,-0.2 284,-0.2 -0.277 46.1-122.5 -77.7 165.1 20.4 -6.4 39.0 32 91 A T E -a 2 0A 2 -31,-2.4 -29,-2.8 282,-0.1 2,-0.4 -0.783 16.6-146.5-108.3 152.9 16.8 -5.9 40.1 33 92 A L E -aC 3 313A 0 280,-1.5 280,-2.0 -2,-0.3 2,-0.6 -0.975 4.5-161.2-123.1 133.0 14.9 -7.8 42.8 34 93 A I E -aC 4 312A 0 -31,-2.6 -29,-2.5 -2,-0.4 2,-0.5 -0.951 18.4-156.8-113.5 111.4 11.3 -8.7 42.8 35 94 A L E +aC 5 311A 1 276,-3.3 276,-2.3 -2,-0.6 2,-0.4 -0.790 18.7 169.9 -97.5 130.0 10.1 -9.5 46.3 36 95 A G E -a 6 0A 0 -31,-2.0 -29,-1.6 -2,-0.5 2,-0.9 -0.940 16.9-160.5-139.3 113.4 7.1 -11.6 47.1 37 96 A N E -a 7 0A 3 -2,-0.4 -29,-0.2 272,-0.4 -31,-0.1 -0.819 10.6-179.8 -98.2 102.6 6.3 -12.9 50.7 38 97 A A - 0 0 2 -31,-0.9 3,-0.4 -2,-0.9 -30,-0.2 0.922 18.7-151.5 -66.0 -51.6 4.0 -15.9 50.4 39 98 A W - 0 0 131 -32,-0.3 -31,-0.1 1,-0.2 3,-0.1 0.829 62.1 -61.5 79.7 35.0 3.4 -16.8 54.0 40 99 A N S S+ 0 0 82 1,-0.2 2,-0.9 26,-0.1 -1,-0.2 0.497 96.1 134.5 72.9 4.0 2.8 -20.5 53.7 41 100 A N >> - 0 0 79 -3,-0.4 4,-2.3 1,-0.2 3,-0.7 -0.780 47.9-153.9 -93.9 107.7 -0.3 -20.1 51.6 42 101 A L H 3> S+ 0 0 46 -2,-0.9 4,-1.2 1,-0.3 -1,-0.2 0.770 97.2 53.6 -43.5 -33.4 -0.3 -22.6 48.6 43 102 A E H 3> S+ 0 0 112 2,-0.2 4,-1.6 3,-0.2 -1,-0.3 0.928 111.8 41.1 -71.0 -48.0 -2.5 -20.1 46.8 44 103 A K H <> S+ 0 0 89 -3,-0.7 4,-3.2 2,-0.2 3,-0.3 0.963 116.3 46.6 -66.0 -55.3 -0.3 -17.0 47.3 45 104 A Q H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.889 114.4 51.2 -54.9 -39.2 3.1 -18.7 46.6 46 105 A R H X S+ 0 0 96 -4,-1.2 4,-1.5 -5,-0.4 -1,-0.3 0.844 111.3 46.1 -67.2 -34.9 1.5 -20.3 43.6 47 106 A A H X S+ 0 0 58 -4,-1.6 4,-2.1 -3,-0.3 -2,-0.2 0.874 111.0 53.6 -74.7 -37.7 0.2 -16.9 42.4 48 107 A Y H X S+ 0 0 12 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.940 107.8 50.8 -60.6 -47.9 3.6 -15.4 43.0 49 108 A L H X S+ 0 0 4 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.884 108.8 51.1 -57.0 -44.5 5.3 -18.1 40.9 50 109 A S H X S+ 0 0 46 -4,-1.5 4,-1.9 1,-0.2 3,-0.4 0.936 110.9 47.3 -61.3 -47.7 3.0 -17.5 38.0 51 110 A M H X S+ 0 0 24 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.842 107.6 56.4 -64.1 -35.2 3.6 -13.8 37.9 52 111 A M H <>S+ 0 0 1 -4,-2.1 5,-2.1 1,-0.2 -1,-0.2 0.831 107.9 47.9 -67.7 -29.4 7.3 -14.2 38.1 53 112 A A H ><5S+ 0 0 24 -4,-1.4 3,-1.3 -3,-0.4 -1,-0.2 0.867 110.2 52.6 -76.1 -37.2 7.3 -16.3 35.1 54 113 A Q H 3<5S+ 0 0 141 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.969 108.3 50.2 -59.7 -52.2 5.1 -13.8 33.3 55 114 A K T 3<5S- 0 0 29 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.475 110.8-132.8 -65.0 -0.8 7.6 -11.1 34.3 56 115 A R T < 5 - 0 0 186 -3,-1.3 -3,-0.2 -5,-0.1 -54,-0.2 0.867 28.0-162.6 48.7 49.5 10.2 -13.5 32.8 57 116 A V < - 0 0 14 -5,-2.1 -54,-0.2 1,-0.1 -1,-0.1 -0.244 19.4-136.9 -60.2 147.1 12.7 -13.3 35.7 58 117 A D S S+ 0 0 58 -56,-1.6 2,-0.3 1,-0.2 -55,-0.2 0.716 82.4 8.4 -78.2 -21.2 16.2 -14.5 34.9 59 118 A G E -b 3 0A 0 -57,-0.7 -55,-2.7 22,-0.1 2,-0.4 -0.991 62.9-141.5-158.5 155.1 16.5 -16.4 38.2 60 119 A L E -bd 4 83A 3 22,-2.5 24,-1.9 -2,-0.3 2,-0.5 -0.982 7.5-164.8-128.1 126.6 14.5 -17.5 41.2 61 120 A L E -bd 5 84A 0 -57,-3.4 -55,-2.4 -2,-0.4 2,-0.4 -0.932 13.0-173.7-110.2 120.8 15.6 -17.6 44.9 62 121 A V E +bd 6 85A 1 22,-3.6 24,-3.2 -2,-0.5 2,-0.3 -0.954 16.6 158.6-121.7 133.3 13.5 -19.6 47.3 63 122 A M E +bd 7 86A 0 -57,-1.5 -55,-0.9 -2,-0.4 2,-0.2 -0.761 15.4 163.3-152.3 98.0 13.8 -19.9 51.1 64 123 A C - 0 0 2 22,-0.6 24,-0.4 -2,-0.3 3,-0.1 -0.708 47.3-118.8-114.1 167.7 10.7 -21.0 53.1 65 124 A S S S+ 0 0 67 -2,-0.2 2,-0.3 1,-0.2 23,-0.1 0.832 96.6 7.2 -73.3 -33.3 10.2 -22.4 56.5 66 125 A E - 0 0 117 22,-0.1 -1,-0.2 21,-0.0 -26,-0.1 -0.992 60.1-142.0-149.8 154.3 8.8 -25.7 55.2 67 126 A Y - 0 0 26 -2,-0.3 2,-0.1 -3,-0.1 20,-0.0 -0.793 18.7-168.1-123.4 89.9 8.3 -27.5 51.9 68 127 A P >> - 0 0 58 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.413 38.8-106.1 -71.6 150.7 5.0 -29.4 51.7 69 128 A E H 3> S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.799 119.1 58.3 -46.8 -37.4 4.8 -31.9 48.8 70 129 A P H 3> S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.902 105.5 49.3 -62.3 -42.3 2.3 -29.6 47.0 71 130 A L H <> S+ 0 0 1 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.957 110.4 48.5 -60.5 -55.1 4.9 -26.7 46.9 72 131 A L H X S+ 0 0 17 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.840 108.9 58.6 -54.7 -34.7 7.7 -28.8 45.6 73 132 A A H X S+ 0 0 47 -4,-1.6 4,-0.8 -5,-0.3 3,-0.3 0.949 108.5 40.9 -63.7 -50.4 5.3 -30.0 43.0 74 133 A M H >X S+ 0 0 9 -4,-2.1 3,-1.1 1,-0.2 4,-0.8 0.904 109.0 60.7 -67.2 -36.0 4.6 -26.6 41.6 75 134 A L H >< S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.862 100.4 57.6 -56.9 -33.9 8.3 -25.7 41.9 76 135 A E H >< S+ 0 0 115 -4,-1.5 3,-1.2 -3,-0.3 -1,-0.3 0.796 96.5 60.2 -67.7 -29.2 8.9 -28.5 39.5 77 136 A E H << S+ 0 0 147 -3,-1.1 -1,-0.2 -4,-0.8 3,-0.2 0.710 107.8 47.1 -71.9 -17.5 6.6 -27.1 36.8 78 137 A Y T X< S+ 0 0 54 -3,-0.8 3,-2.1 -4,-0.8 -1,-0.3 0.062 71.1 121.9-109.7 22.2 8.8 -24.0 36.7 79 138 A R T < + 0 0 107 -3,-1.2 -1,-0.2 1,-0.3 4,-0.1 0.465 58.2 78.4 -65.4 1.2 12.1 -25.8 36.5 80 139 A H T 3 S+ 0 0 143 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.712 84.6 70.4 -82.0 -19.2 12.8 -24.0 33.2 81 140 A I S < S- 0 0 16 -3,-2.1 -22,-0.1 1,-0.0 -23,-0.1 -0.834 98.8-109.9 -98.2 131.9 13.7 -20.9 35.2 82 141 A P + 0 0 33 0, 0.0 -22,-2.5 0, 0.0 2,-0.3 -0.311 49.8 169.7 -61.0 139.4 17.0 -21.2 37.1 83 142 A M E -d 60 0A 4 -24,-0.2 2,-0.4 -4,-0.1 -22,-0.2 -0.975 37.6-149.3-152.3 166.4 16.6 -21.4 40.9 84 143 A V E -d 61 0A 0 -24,-1.9 -22,-3.6 -2,-0.3 2,-0.6 -0.991 16.6-170.8-135.9 119.7 18.0 -22.1 44.3 85 144 A V E -d 62 0A 1 -2,-0.4 12,-2.8 10,-0.2 2,-0.5 -0.936 12.8-152.2-120.1 106.5 15.6 -23.5 46.9 86 145 A M E -de 63 97A 0 -24,-3.2 -22,-0.6 -2,-0.6 2,-0.6 -0.683 8.6-167.7 -83.5 124.5 17.2 -23.5 50.4 87 146 A D E - e 0 98A 16 10,-2.8 12,-2.6 -2,-0.5 -22,-0.1 -0.961 8.6-175.6-114.5 118.6 16.0 -26.1 52.8 88 147 A F + 0 0 53 -2,-0.6 13,-0.2 -24,-0.4 -1,-0.1 0.590 63.0 77.1 -88.0 -12.9 17.0 -25.6 56.4 89 148 A G S S- 0 0 35 1,-0.2 10,-0.3 -24,-0.1 3,-0.1 0.033 101.4 -38.3 -81.7-165.0 15.6 -28.8 57.7 90 149 A E S S- 0 0 135 1,-0.1 -1,-0.2 8,-0.1 2,-0.1 -0.282 72.9 -97.8 -59.2 136.0 16.9 -32.4 57.4 91 150 A A - 0 0 87 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.347 46.8-165.1 -59.1 128.2 18.5 -33.2 54.1 92 151 A K - 0 0 121 -3,-0.1 2,-2.3 -2,-0.1 4,-0.1 -0.847 33.0-109.3-119.1 155.8 16.1 -35.0 51.8 93 152 A A S S+ 0 0 120 -2,-0.3 2,-0.2 2,-0.1 -2,-0.0 -0.410 85.7 99.1 -79.4 63.0 16.5 -37.0 48.6 94 153 A D S S- 0 0 44 -2,-2.3 -2,-0.1 2,-0.2 -22,-0.0 -0.737 91.1 -86.6-135.5-176.6 14.9 -34.3 46.5 95 154 A F S S+ 0 0 32 -2,-0.2 -10,-0.2 2,-0.1 158,-0.2 0.515 86.3 110.7 -76.1 -5.2 16.0 -31.4 44.2 96 155 A T - 0 0 9 156,-0.1 2,-0.4 -12,-0.1 -2,-0.2 -0.244 70.0-118.7 -69.9 159.2 16.3 -28.8 47.0 97 156 A D E -e 86 0A 0 -12,-2.8 -10,-2.8 155,-0.2 2,-0.3 -0.814 30.5-131.9 -96.6 135.4 19.7 -27.4 48.2 98 157 A A E -ef 87 254A 14 155,-2.1 157,-3.5 -2,-0.4 2,-0.5 -0.691 15.1-159.1 -93.0 140.8 20.4 -28.1 51.9 99 158 A V E - 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