==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 27-MAR-07 2PAF . COMPND 2 MOLECULE: LACTOSE OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.DABER . 538 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 2 0.4 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 . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 2 0 1 0 0 0 1 1 2 3 1 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 1 5 3 2 1 1 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 . 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 62 A L 0 0 164 0, 0.0 31,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -38.2 -23.3 -1.0 -15.0 2 63 A L E -a 32 0A 18 29,-0.2 57,-2.4 55,-0.1 58,-1.0 -0.968 360.0-151.8-132.8 121.1 -24.2 2.4 -13.4 3 64 A I E -ab 33 60A 16 29,-3.0 31,-2.4 -2,-0.4 2,-0.4 -0.783 5.2-154.0-100.4 124.7 -22.1 4.4 -10.9 4 65 A G E -ab 34 61A 0 56,-2.4 58,-3.1 -2,-0.5 2,-0.5 -0.766 8.6-165.6 -96.3 134.6 -23.6 6.8 -8.3 5 66 A V E -ab 35 62A 2 29,-2.2 31,-2.7 -2,-0.4 2,-0.4 -0.980 6.3-163.9-125.7 122.0 -21.6 9.6 -7.0 6 67 A A E +ab 36 63A 0 56,-1.8 58,-2.9 -2,-0.5 2,-0.3 -0.888 23.8 175.8 -98.6 135.4 -22.4 11.7 -3.9 7 68 A T E -ab 37 64A 0 29,-1.4 31,-3.9 -2,-0.4 58,-0.2 -0.993 35.5-113.0-147.6 149.8 -20.6 15.0 -3.5 8 69 A S E S-a 38 0A 19 56,-1.6 31,-0.1 -2,-0.3 4,-0.0 -0.403 81.4 -43.2 -71.5 158.6 -20.1 18.2 -1.6 9 70 A S > - 0 0 17 29,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.193 49.8-142.9 -36.0 127.7 -21.2 21.3 -3.5 10 71 A L T 3 S+ 0 0 1 1,-0.3 6,-0.3 -3,-0.2 -1,-0.2 0.643 90.9 85.6 -64.9 -18.9 -20.0 21.1 -7.1 11 72 A A T 3 S+ 0 0 39 276,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.813 75.2 77.9 -56.2 -35.4 -19.4 24.9 -6.8 12 73 A L S <> S- 0 0 32 -3,-1.4 4,-0.8 1,-0.1 148,-0.1 -0.489 88.2-131.3 -67.7 150.2 -16.0 24.1 -5.3 13 74 A H H > S+ 0 0 5 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.864 91.5 57.4 -79.2 -39.3 -13.6 23.1 -8.1 14 75 A A H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.952 101.5 54.6 -67.3 -45.7 -11.9 19.9 -7.0 15 76 A P H > S+ 0 0 12 0, 0.0 4,-4.2 0, 0.0 -1,-0.2 0.916 108.3 53.8 -52.6 -41.8 -15.0 17.8 -6.5 16 77 A S H X S+ 0 0 1 -4,-0.8 4,-3.9 -6,-0.3 5,-0.3 0.944 108.6 45.6 -46.8 -61.1 -15.9 18.7 -10.1 17 78 A Q H X S+ 0 0 28 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.881 116.6 47.8 -57.3 -39.6 -12.5 17.5 -11.5 18 79 A I H >X S+ 0 0 17 -4,-2.9 4,-3.0 2,-0.2 3,-0.6 0.981 112.7 46.3 -60.6 -61.2 -13.0 14.4 -9.4 19 80 A V H 3X S+ 0 0 1 -4,-4.2 4,-1.7 1,-0.3 -2,-0.2 0.872 115.4 49.1 -47.5 -40.3 -16.6 14.0 -10.6 20 81 A A H 3X S+ 0 0 16 -4,-3.9 4,-2.2 1,-0.2 -1,-0.3 0.833 110.7 48.8 -73.7 -30.8 -15.3 14.6 -14.1 21 82 A A H S+ 0 0 0 -4,-1.8 5,-2.4 1,-0.2 4,-2.2 0.862 111.6 52.4 -51.7 -36.6 -16.8 5.1 -16.5 27 88 A D H <5S+ 0 0 71 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.914 107.7 48.5 -63.3 -49.1 -16.6 6.3 -20.2 28 89 A Q H <5S+ 0 0 131 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.739 119.1 39.2 -64.4 -28.6 -13.6 4.0 -20.9 29 90 A L H <5S- 0 0 91 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.723 113.8-110.8 -95.7 -26.3 -15.4 1.0 -19.4 30 91 A G T <5 + 0 0 54 -4,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.647 69.2 138.9 100.2 20.0 -18.9 1.6 -20.6 31 92 A A < - 0 0 22 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.525 47.5-131.3 -80.6 156.9 -20.5 2.5 -17.3 32 93 A S E -a 2 0A 47 -31,-1.8 -29,-3.0 -2,-0.2 2,-0.4 -0.813 19.4-143.7-103.5 155.3 -22.9 5.3 -16.9 33 94 A V E -a 3 0A 6 -2,-0.3 2,-0.4 -31,-0.2 274,-0.2 -0.977 16.2-176.6-123.5 135.9 -22.6 7.9 -14.2 34 95 A V E -a 4 0A 0 -31,-2.4 -29,-2.2 -2,-0.4 2,-0.4 -0.999 10.5-165.1-125.5 137.8 -25.1 9.8 -12.2 35 96 A V E -aC 5 305A 0 270,-2.6 270,-2.8 -2,-0.4 2,-0.3 -0.964 5.2-174.4-123.4 129.1 -24.0 12.5 -9.7 36 97 A S E -a 6 0A 3 -31,-2.7 -29,-1.4 -2,-0.4 2,-0.5 -0.907 23.1-120.1-124.9 165.0 -26.1 14.0 -6.9 37 98 A M E -a 7 0A 12 266,-0.4 -29,-0.2 -2,-0.3 2,-0.1 -0.852 12.2-137.0-121.9 119.4 -25.1 16.8 -4.7 38 99 A V E -a 8 0A 3 -31,-3.9 -29,-0.5 -2,-0.5 2,-0.3 -0.447 28.7-112.3 -73.0 136.7 -24.8 17.0 -0.9 39 100 A E - 0 0 81 6,-0.4 2,-0.8 -2,-0.1 -1,-0.1 -0.554 44.0-116.0 -56.3 124.8 -26.1 20.0 1.0 40 101 A R S S+ 0 0 111 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.285 89.4 52.0 -62.0 13.9 -22.7 21.2 2.1 41 102 A S S S+ 0 0 84 -2,-0.8 4,-0.2 2,-0.0 2,-0.2 -0.838 88.5 21.3-165.2 117.7 -23.2 20.7 5.8 42 103 A G - 0 0 48 -2,-0.3 4,-0.2 2,-0.1 87,-0.0 -0.700 67.5-108.6 121.2 177.8 -24.2 17.8 8.2 43 104 A V S > S+ 0 0 22 -2,-0.2 4,-2.7 2,-0.2 5,-0.4 0.617 123.1 61.2-106.2 -43.4 -24.3 14.0 7.7 44 105 A E H > S+ 0 0 133 1,-0.3 4,-2.0 2,-0.2 3,-0.5 0.963 101.9 60.1 -30.6 -62.9 -28.1 14.1 7.5 45 106 A A H 4 S+ 0 0 16 -4,-0.2 -6,-0.4 1,-0.2 3,-0.3 0.842 108.4 38.3 -23.3 -65.3 -26.9 16.2 4.6 46 107 A C H 4 S+ 0 0 0 -3,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.761 118.7 43.0 -80.1 -29.3 -25.0 13.4 2.9 47 108 A K H < S+ 0 0 50 -4,-2.7 4,-0.3 -3,-0.5 -1,-0.2 0.460 93.6 80.2-100.2 -3.2 -27.3 10.5 3.5 48 109 A A S < S+ 0 0 56 -4,-2.0 2,-0.2 -5,-0.4 -1,-0.2 0.171 110.9 29.3 -78.7 7.2 -30.3 12.6 2.7 49 110 A A S S+ 0 0 8 -3,-0.4 2,-3.0 -5,-0.2 4,-0.1 -0.707 89.5 75.5-130.5-144.5 -28.9 11.6 -0.6 50 111 A V S S+ 0 0 0 -2,-0.2 3,-0.4 1,-0.2 -3,-0.1 -0.228 112.2 54.3 64.5 -46.2 -27.0 8.5 -1.4 51 112 A H S >> S+ 0 0 94 -2,-3.0 3,-2.8 -4,-0.3 2,-1.9 0.879 97.9 56.8 -70.1 -43.9 -30.7 7.8 -1.1 52 113 A N T 34 S+ 0 0 73 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.122 114.2 41.9 -88.3 50.0 -31.6 10.4 -3.6 53 114 A L T 34 S+ 0 0 0 -2,-1.9 5,-0.4 -3,-0.4 -1,-0.3 0.008 104.0 62.1 172.5 -17.1 -29.3 8.4 -5.8 54 115 A L T X4 S+ 0 0 41 -3,-2.8 3,-1.2 3,-0.1 -2,-0.2 0.441 86.2 76.5-105.7 -12.7 -30.5 4.9 -4.8 55 116 A A T 3< S+ 0 0 74 -4,-1.5 -3,-0.1 1,-0.2 -1,-0.1 0.223 97.5 49.9 -69.7 10.7 -33.9 5.9 -6.1 56 117 A Q T 3 S- 0 0 19 -5,-0.1 -1,-0.2 -22,-0.0 -2,-0.1 0.388 112.6-123.9-127.7 -8.5 -32.0 5.2 -9.4 57 118 A R < - 0 0 200 -3,-1.2 2,-0.4 1,-0.1 -3,-0.1 0.995 32.1-159.8 52.9 79.2 -30.6 1.8 -8.4 58 119 A V - 0 0 8 -5,-0.4 -55,-0.2 1,-0.1 -1,-0.1 -0.726 20.9-132.1 -91.3 136.6 -26.9 2.6 -8.9 59 120 A S S S- 0 0 60 -57,-2.4 2,-0.3 -2,-0.4 -56,-0.2 0.836 85.3 -11.2 -58.2 -30.7 -24.7 -0.5 -9.4 60 121 A G E -b 3 0A 2 -58,-1.0 -56,-2.4 22,-0.1 2,-0.4 -0.953 69.8-116.9-158.2 171.6 -22.2 1.0 -6.8 61 122 A L E -bd 4 84A 0 22,-1.9 24,-0.8 -2,-0.3 2,-0.5 -0.968 11.1-168.8-128.5 135.6 -21.5 4.2 -4.9 62 123 A I E -bd 5 85A 0 -58,-3.1 -56,-1.8 -2,-0.4 2,-0.8 -0.975 21.4-158.4-115.3 115.3 -18.5 6.6 -4.8 63 124 A I E +bd 6 86A 0 22,-2.5 24,-3.7 -2,-0.5 25,-0.7 -0.831 21.3 173.4-113.2 109.2 -18.9 8.9 -2.0 64 125 A N E +b 7 0A 12 -58,-2.9 -56,-1.6 -2,-0.8 22,-0.1 -0.680 40.1 113.9-106.8 71.0 -17.2 12.2 -1.8 65 126 A Y S S- 0 0 7 -2,-0.6 23,-0.4 -58,-0.2 2,-0.3 -0.990 74.4-106.5-130.3 140.8 -18.5 13.9 1.3 66 127 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 23,-0.2 -0.530 43.4-168.3 -66.8 124.8 -16.4 14.6 4.3 67 128 A L - 0 0 1 21,-2.4 23,-0.4 -2,-0.3 -24,-0.1 -0.973 15.9-137.8-126.4 121.9 -17.4 12.1 6.9 68 129 A D > - 0 0 67 -2,-0.5 4,-1.2 21,-0.1 22,-0.1 0.154 42.9 -91.4 -54.0-176.8 -16.4 12.2 10.5 69 130 A D H > S+ 0 0 83 2,-0.2 4,-0.8 1,-0.1 5,-0.1 0.915 123.4 39.2 -78.2 -38.7 -15.4 8.8 12.0 70 131 A Q H >> S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.976 113.4 53.5 -68.0 -57.8 -18.8 7.8 13.3 71 132 A D H 3> S+ 0 0 40 1,-0.2 4,-0.8 2,-0.2 5,-0.2 0.780 95.6 72.1 -51.8 -34.9 -20.8 9.1 10.4 72 133 A A H >X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 3,-1.0 0.940 111.2 26.5 -41.6 -66.9 -18.6 7.1 8.0 73 134 A I H - 0 0 15 -23,-0.4 3,-1.5 -2,-0.2 7,-0.1 -0.574 35.9-121.8 -77.6 144.2 -9.6 9.2 7.6 91 152 A D T 3 S+ 0 0 45 1,-0.3 164,-0.2 -2,-0.2 -1,-0.1 0.241 105.7 78.8 -67.9 22.5 -7.4 6.3 6.6 92 153 A Q T 3 + 0 0 149 2,-0.0 -1,-0.3 0, 0.0 -23,-0.0 0.386 70.0 97.3-113.5 3.0 -8.4 5.1 10.1 93 154 A T S < S- 0 0 9 -3,-1.5 4,-0.3 1,-0.1 -4,-0.0 -0.825 72.7-130.2-109.6 136.2 -11.9 3.7 9.4 94 155 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.231 82.6 96.8 -64.7 10.7 -13.0 0.1 8.7 95 156 A I S S- 0 0 0 1,-0.0 2,-1.0 -10,-0.0 -10,-0.1 -0.189 95.8 -85.7 -83.4-172.7 -14.9 1.3 5.6 96 157 A N + 0 0 21 -12,-0.1 -10,-1.0 -2,-0.1 159,-0.2 -0.769 59.9 179.3-102.7 91.4 -13.4 1.1 2.1 97 158 A S B -e 86 0A 0 -2,-1.0 159,-0.4 157,-0.6 -10,-0.2 -0.305 26.4-175.2 -84.4 167.9 -11.4 4.3 1.8 98 159 A I + 0 0 0 -12,-0.7 2,-0.2 157,-0.2 159,-0.2 -0.597 31.6 149.5-150.4 105.4 -9.3 5.8 -1.0 99 160 A I - 0 0 5 -2,-0.1 159,-2.4 -11,-0.1 2,-0.5 -0.720 47.2 -91.2-127.0 178.9 -7.6 9.1 0.2 100 161 A F B -k 258 0B 17 -2,-0.2 2,-1.5 -13,-0.2 -9,-0.1 -0.804 43.7-107.5 -99.7 132.4 -4.6 11.2 -0.3 101 162 A S > - 0 0 8 157,-1.8 4,-3.2 -2,-0.5 159,-0.2 -0.312 38.0-179.6 -57.6 85.2 -1.5 10.6 1.9 102 163 A H H > S+ 0 0 15 -2,-1.5 4,-3.6 2,-0.2 5,-0.5 0.819 79.7 61.8 -62.7 -34.7 -1.9 13.8 4.0 103 164 A E H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.991 113.1 36.4 -45.7 -67.0 1.3 12.8 5.9 104 165 A D H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.902 121.1 48.4 -52.0 -48.3 3.1 13.0 2.6 105 166 A G H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.955 114.9 40.7 -61.7 -55.2 1.1 16.0 1.4 106 167 A T H X S+ 0 0 0 -4,-3.6 4,-1.7 2,-0.2 -1,-0.2 0.809 118.1 49.0 -66.4 -34.8 1.3 18.2 4.5 107 168 A R H X S+ 0 0 63 -4,-2.3 4,-3.1 -5,-0.5 3,-0.4 0.983 105.0 55.7 -67.5 -65.3 5.0 17.3 5.0 108 169 A L H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.872 111.9 46.3 -27.2 -57.0 6.1 18.0 1.5 109 170 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.895 117.0 42.2 -60.4 -43.7 4.6 21.4 1.9 110 171 A V H X S+ 0 0 0 -4,-1.7 4,-3.7 -3,-0.4 5,-0.2 0.986 113.2 51.6 -65.0 -59.8 6.3 22.0 5.3 111 172 A E H X S+ 0 0 81 -4,-3.1 4,-3.5 1,-0.2 5,-0.3 0.897 110.4 49.1 -39.6 -59.0 9.6 20.6 4.4 112 173 A H H X S+ 0 0 15 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.944 114.2 44.5 -53.2 -55.2 9.8 22.8 1.3 113 174 A L H >X>S+ 0 0 0 -4,-1.9 5,-1.1 -5,-0.2 4,-0.8 0.962 115.5 50.2 -49.5 -51.2 9.0 25.9 3.3 114 175 A V H ><5S+ 0 0 36 -4,-3.7 3,-1.0 1,-0.3 -2,-0.2 0.902 113.4 42.4 -58.5 -49.0 11.4 24.8 6.0 115 176 A A H 3<5S+ 0 0 90 -4,-3.5 -1,-0.3 1,-0.2 -2,-0.2 0.662 105.7 66.5 -68.7 -17.5 14.3 24.1 3.7 116 177 A L H <<5S- 0 0 79 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.665 123.5 -99.5 -84.9 -14.3 13.5 27.3 1.8 117 178 A G T <<5S+ 0 0 53 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 -0.023 74.6 136.2 129.8 -27.2 14.4 29.4 4.9 118 179 A H < + 0 0 29 -5,-1.1 -1,-0.3 1,-0.1 3,-0.1 -0.042 16.8 159.1 -67.0 151.0 11.1 30.2 6.6 119 180 A Q + 0 0 144 1,-0.1 2,-0.6 30,-0.0 31,-0.3 0.249 68.4 71.6-142.5 -8.0 10.4 30.0 10.3 120 181 A Q + 0 0 108 29,-0.1 59,-2.2 31,-0.1 60,-0.9 -0.894 67.3 160.4-112.1 96.5 7.4 32.4 10.5 121 182 A I E -l 180 0C 0 -2,-0.6 31,-2.6 29,-0.5 32,-0.3 -0.948 26.8-153.0-122.4 135.3 4.6 30.4 8.8 122 183 A A E -l 181 0C 3 58,-1.1 60,-2.7 -2,-0.4 2,-0.5 -0.694 12.2-139.1 -97.6 159.9 0.9 30.9 9.0 123 184 A L E -lm 182 154C 2 30,-2.1 32,-2.7 -2,-0.3 2,-0.7 -0.980 8.2-163.7-120.0 123.4 -1.7 28.2 8.5 124 185 A L E -lm 183 155C 6 58,-4.3 60,-2.4 -2,-0.5 32,-0.2 -0.922 23.1-152.4-103.9 112.3 -4.9 28.7 6.6 125 186 A A - 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