==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATION 13-AUG-96 1LQC . COMPND 2 MOLECULE: LAC REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.SLIJPER,A.M.J.J.BONVIN,R.BOELENS,R.KAPTEIN . 55 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 67.3 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 . 4 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.5 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 1 0 1 0 0 0 0 1 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 M 0 0 157 0, 0.0 53,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -51.5 8.3 11.1 0.6 2 2 A K - 0 0 41 51,-0.1 3,-0.1 53,-0.0 51,-0.1 -0.764 360.0 -76.9 159.5 162.7 7.3 7.9 2.5 3 3 A P S S- 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.0 0.748 111.5 -1.7 -54.0 -28.4 9.1 4.5 3.6 4 4 A V S S- 0 0 27 -3,-0.0 2,-0.7 0, 0.0 5,-0.1 -0.957 84.8 -95.2-161.4 141.1 8.8 2.9 0.1 5 5 A T > - 0 0 101 -2,-0.3 3,-3.2 1,-0.2 4,-0.3 -0.538 41.0-136.5 -60.0 97.0 7.3 4.0 -3.3 6 6 A L T 3> S+ 0 0 6 -2,-0.7 4,-2.5 1,-0.3 -1,-0.2 0.619 98.3 77.6 -39.9 -20.0 3.8 2.3 -2.9 7 7 A Y H 3> S+ 0 0 149 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.882 89.1 60.3 -54.8 -35.2 4.0 1.0 -6.5 8 8 A D H <> S+ 0 0 70 -3,-3.2 4,-2.4 2,-0.2 5,-0.3 0.965 107.1 42.6 -58.0 -48.9 6.4 -1.5 -4.9 9 9 A V H > S+ 0 0 0 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.958 115.0 51.7 -58.3 -46.4 3.5 -2.8 -2.7 10 10 A A H <>S+ 0 0 4 -4,-2.5 5,-2.5 1,-0.3 -2,-0.2 0.868 113.0 43.6 -55.6 -50.7 1.1 -2.6 -5.6 11 11 A E H ><5S+ 0 0 153 -4,-3.2 3,-0.5 3,-0.2 -1,-0.3 0.809 113.3 49.1 -68.8 -43.4 3.4 -4.7 -7.9 12 12 A Y H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.823 114.9 46.1 -67.0 -33.7 4.4 -7.3 -5.2 13 13 A A T 3<5S- 0 0 15 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.337 113.3-130.1 -86.1 -9.3 0.6 -7.7 -4.5 14 14 A G T < 5 + 0 0 65 -3,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.566 63.0 129.1 72.5 24.4 0.2 -7.8 -8.3 15 15 A V < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.791 68.3 -99.0-122.8 134.2 -2.6 -5.1 -8.3 16 16 A S >> - 0 0 88 -2,-0.3 3,-1.4 1,-0.1 4,-0.6 -0.333 41.4-113.7 -41.1 128.5 -3.0 -1.8 -10.3 17 17 A Y H 3> S+ 0 0 89 1,-0.2 4,-1.4 2,-0.2 5,-0.3 0.747 109.2 78.1 -43.0 -31.3 -1.8 1.3 -8.1 18 18 A Q H 3> S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.906 95.6 46.6 -48.3 -45.2 -5.5 2.5 -8.0 19 19 A T H <> S+ 0 0 32 -3,-1.4 4,-2.9 2,-0.2 3,-0.3 0.940 106.4 55.9 -59.9 -54.0 -6.2 -0.1 -5.3 20 20 A V H X S+ 0 0 0 -4,-0.6 4,-2.3 1,-0.2 -2,-0.2 0.848 108.5 43.5 -59.9 -51.0 -3.2 0.4 -3.0 21 21 A S H X S+ 0 0 35 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.879 116.7 48.6 -66.3 -29.0 -3.6 4.1 -2.2 22 22 A R H <>S+ 0 0 140 -4,-1.3 5,-1.6 -5,-0.3 -2,-0.2 0.961 110.8 50.4 -64.2 -44.4 -7.3 3.7 -1.7 23 23 A V H ><5S+ 0 0 0 -4,-2.9 3,-2.0 3,-0.2 -2,-0.2 0.827 101.8 64.1 -60.9 -43.9 -6.7 0.7 0.6 24 24 A V H 3<5S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.946 111.4 33.6 -53.8 -49.1 -4.2 2.7 2.6 25 25 A N T ><5S- 0 0 87 -4,-1.3 3,-0.9 -3,-0.2 -1,-0.3 0.051 116.8-114.3 -90.9 14.8 -6.9 5.2 3.8 26 26 A Q T < 5 - 0 0 96 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.355 34.9-110.1 63.3 14.7 -9.4 2.4 3.8 27 27 A A T 3 < - 0 0 35 -5,-1.6 2,-2.0 -6,-0.2 -1,-0.3 0.588 52.8 -88.1 29.1 41.0 -11.3 4.1 1.0 28 28 A S S < S+ 0 0 109 -3,-0.9 2,-0.4 -6,-0.2 -1,-0.2 -0.503 118.2 16.1 56.6 -53.0 -14.0 4.8 3.6 29 29 A H S S+ 0 0 175 -2,-2.0 2,-0.3 2,-0.0 -2,-0.0 -0.986 81.9 162.8-137.3 117.0 -15.5 1.4 2.6 30 30 A V - 0 0 52 -2,-0.4 2,-0.2 -7,-0.1 -2,-0.0 -0.994 44.9 -89.7-133.7 154.4 -13.4 -1.2 0.6 31 31 A S >> - 0 0 75 -2,-0.3 4,-1.2 1,-0.1 3,-0.7 -0.396 33.4-134.6 -59.9 128.6 -13.7 -5.0 -0.1 32 32 A A H 3> S+ 0 0 50 1,-0.2 4,-2.3 -2,-0.2 -1,-0.1 0.829 99.1 59.8 -51.8 -53.8 -11.9 -7.2 2.6 33 33 A K H 3> S+ 0 0 158 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 101.9 54.6 -46.9 -36.9 -10.1 -9.6 0.2 34 34 A T H <> S+ 0 0 25 -3,-0.7 4,-2.0 2,-0.2 3,-0.3 0.944 109.9 48.3 -60.6 -49.2 -8.3 -6.6 -1.4 35 35 A R H X S+ 0 0 52 -4,-1.2 4,-3.4 1,-0.2 5,-0.2 0.927 104.5 58.8 -60.4 -43.5 -7.0 -5.6 2.0 36 36 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.816 109.5 43.7 -58.1 -35.1 -5.8 -9.1 2.9 37 37 A K H X S+ 0 0 93 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.954 116.7 44.6 -77.9 -46.2 -3.5 -9.2 -0.1 38 38 A V H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.924 112.1 55.2 -62.5 -47.3 -2.1 -5.6 0.4 39 39 A E H X S+ 0 0 90 -4,-3.4 4,-1.5 2,-0.2 -2,-0.2 0.900 109.2 46.4 -56.2 -43.8 -1.8 -6.3 4.2 40 40 A A H X S+ 0 0 48 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.974 114.3 47.4 -64.2 -52.6 0.4 -9.4 3.5 41 41 A A H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.866 106.3 62.4 -54.6 -39.7 2.5 -7.5 1.0 42 42 A M H ><>S+ 0 0 7 -4,-3.2 5,-2.2 2,-0.2 3,-0.7 0.855 104.3 40.8 -59.9 -52.8 2.9 -4.5 3.4 43 43 A A H ><5S+ 0 0 81 -4,-1.5 3,-1.4 1,-0.3 -1,-0.2 0.928 114.9 54.5 -63.1 -40.0 4.7 -6.2 6.3 44 44 A E H 3<5S+ 0 0 115 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.720 106.4 50.6 -65.9 -33.1 6.9 -8.1 3.9 45 45 A L T <<5S- 0 0 21 -4,-1.7 -1,-0.3 -3,-0.7 -2,-0.1 -0.172 116.8-109.5 -98.8 21.1 8.1 -5.0 2.0 46 46 A N T < 5S+ 0 0 118 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.614 74.8 140.6 56.2 24.1 9.1 -3.2 5.2 47 47 A Y < - 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.699 46.5-135.3 -99.7 157.3 6.1 -0.8 4.8 48 48 A I > - 0 0 103 -2,-0.3 3,-1.4 -3,-0.1 -6,-0.0 -0.899 26.2-108.5-127.3 119.6 3.7 0.6 7.4 49 49 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.454 102.7 23.2 -14.5 -62.8 -0.1 0.8 7.0 50 50 A N T 3 S+ 0 0 46 -25,-0.1 2,-1.7 2,-0.0 -25,-0.0 -0.054 71.2 148.9-112.8 45.1 -1.1 4.5 6.5 51 51 A R < + 0 0 95 -3,-1.4 2,-0.1 2,-0.0 -27,-0.1 -0.498 17.5 165.1 -88.8 79.0 2.1 6.2 5.2 52 52 A V - 0 0 43 -2,-1.7 2,-2.1 2,-0.1 -2,-0.0 -0.398 58.9 -76.5 -74.7 166.6 0.7 9.0 2.9 53 53 A A S S+ 0 0 58 -2,-0.1 2,-0.3 2,-0.1 -51,-0.1 -0.529 90.4 121.4 -74.5 73.3 3.0 11.9 1.8 54 54 A Q 0 0 152 -2,-2.1 -2,-0.1 -53,-0.1 -1,-0.0 -0.878 360.0 360.0-144.6 92.9 3.0 13.7 5.1 55 55 A Q 0 0 163 -2,-0.3 -2,-0.1 -53,-0.0 -53,-0.0 -0.303 360.0 360.0-169.7 360.0 6.4 14.3 6.7