==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 08-MAY-95 1PRU . COMPND 2 MOLECULE: PURINE REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.NAGADOI,S.MORIKAWA,H.NAKAMURA,M.ENARI,K.KOBAYASHI,H.YAMAMO . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 58.9 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 . 3 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.6 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 1 1 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 0 165 0, 0.0 2,-1.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 157.2 -0.6 20.7 -3.6 2 2 A A + 0 0 31 42,-0.1 44,-2.5 4,-0.1 2,-0.3 -0.435 360.0 111.8 -86.8 62.1 0.7 23.2 -1.0 3 3 A T S > S- 0 0 43 -2,-1.6 4,-2.2 42,-0.2 5,-0.2 -0.853 84.5-104.8-130.7 166.1 4.4 21.9 -1.3 4 4 A I H > S+ 0 0 59 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.759 116.2 66.7 -60.1 -25.2 7.7 23.3 -2.6 5 5 A K H > S+ 0 0 140 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.983 107.7 33.8 -59.4 -63.0 7.2 21.0 -5.6 6 6 A D H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.917 117.4 56.5 -58.6 -47.1 4.1 22.9 -7.0 7 7 A V H X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.888 102.4 55.6 -53.1 -45.8 5.5 26.2 -5.8 8 8 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.892 111.1 43.9 -56.7 -43.5 8.7 25.7 -7.7 9 9 A K H < S+ 0 0 129 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.936 115.0 47.6 -68.3 -47.8 6.8 25.3 -11.0 10 10 A R H < S+ 0 0 152 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 116.1 46.6 -60.5 -37.7 4.4 28.2 -10.3 11 11 A A H < S- 0 0 13 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.949 138.7 -56.8 -70.7 -52.0 7.4 30.3 -9.4 12 12 A N S < S- 0 0 86 -4,-2.7 -3,-0.1 -5,-0.2 3,-0.1 0.132 84.7 -55.7-154.5 -82.5 9.6 29.4 -12.4 13 13 A V S S+ 0 0 89 1,-0.5 2,-0.2 -5,-0.3 -2,-0.1 0.384 98.4 12.1-141.7 -75.7 10.6 25.8 -13.2 14 14 A S S >> S- 0 0 58 -5,-0.1 3,-1.5 -6,-0.1 4,-0.7 -0.708 75.9 -99.4-117.3 166.8 12.4 23.6 -10.6 15 15 A T H 3> S+ 0 0 60 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.740 112.9 78.6 -54.3 -25.5 13.1 23.7 -6.9 16 16 A T H 3> S+ 0 0 71 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.917 90.1 52.2 -49.8 -49.2 16.6 24.9 -7.9 17 17 A T H <> S+ 0 0 10 -3,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.907 111.0 47.0 -55.2 -45.4 15.2 28.4 -8.5 18 18 A V H X S+ 0 0 2 -4,-0.7 4,-2.7 1,-0.2 5,-0.3 0.932 111.1 51.5 -62.8 -46.8 13.6 28.5 -5.0 19 19 A S H X S+ 0 0 59 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.897 106.1 55.4 -57.2 -43.7 16.8 27.2 -3.4 20 20 A H H X>S+ 0 0 29 -4,-2.6 5,-1.6 -5,-0.2 4,-1.0 0.909 113.1 42.0 -55.8 -45.5 18.8 30.0 -5.2 21 21 A V H <5S+ 0 0 9 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.967 119.8 39.9 -67.9 -57.3 16.5 32.6 -3.7 22 22 A I H <5S+ 0 0 96 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.947 120.6 43.9 -60.2 -51.8 16.2 31.2 -0.1 23 23 A N H <5S- 0 0 115 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.768 102.9-140.4 -64.5 -25.5 19.8 30.2 0.1 24 24 A K T <5 + 0 0 168 -4,-1.0 -3,-0.2 -5,-0.4 3,-0.2 0.955 64.1 116.6 63.2 53.4 20.7 33.6 -1.4 25 25 A T < + 0 0 82 -5,-1.6 2,-1.7 1,-0.2 -5,-0.1 0.717 67.4 40.1-109.8 -78.7 23.5 32.2 -3.6 26 26 A R S S- 0 0 173 1,-0.1 2,-0.5 -9,-0.0 -1,-0.2 -0.605 88.6-142.4 -77.6 87.4 22.7 32.6 -7.3 27 27 A F - 0 0 142 -2,-1.7 2,-0.1 -3,-0.2 -6,-0.1 -0.367 22.2-165.5 -57.6 107.1 21.2 36.1 -7.1 28 28 A V - 0 0 29 -2,-0.5 -1,-0.0 1,-0.2 -11,-0.0 -0.325 31.0 -76.7 -86.6 174.4 18.3 36.1 -9.6 29 29 A A > - 0 0 56 1,-0.1 4,-2.5 -2,-0.1 3,-0.2 -0.255 43.8-107.3 -67.7 160.2 16.4 39.1 -10.9 30 30 A E H > S+ 0 0 99 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.809 119.6 62.7 -58.9 -29.8 13.8 40.8 -8.6 31 31 A E H > S+ 0 0 159 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.961 108.6 37.9 -59.7 -54.3 11.1 39.2 -10.9 32 32 A T H > S+ 0 0 30 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 116.0 54.2 -64.3 -44.0 12.1 35.7 -10.1 33 33 A R H X S+ 0 0 36 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.940 113.3 41.6 -54.8 -51.9 12.8 36.6 -6.4 34 34 A N H X S+ 0 0 99 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.893 111.1 57.2 -63.9 -41.6 9.3 38.1 -6.0 35 35 A A H X S+ 0 0 33 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.895 107.9 48.0 -57.2 -42.7 7.7 35.2 -8.0 36 36 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.973 114.7 42.9 -62.8 -57.0 9.2 32.6 -5.5 37 37 A W H X S+ 0 0 125 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.868 116.9 49.7 -58.5 -38.1 8.0 34.5 -2.4 38 38 A A H >X S+ 0 0 38 -4,-2.9 4,-3.1 -5,-0.2 3,-0.6 0.969 110.9 47.1 -64.8 -55.0 4.6 35.1 -4.0 39 39 A A H 3X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 6,-0.3 0.885 107.6 58.2 -54.1 -43.5 4.1 31.5 -5.1 40 40 A I H 3<>S+ 0 0 36 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.882 115.2 35.6 -54.6 -42.6 5.1 30.3 -1.6 41 41 A K H X<5S+ 0 0 166 -4,-1.4 3,-1.2 -3,-0.6 -2,-0.2 0.886 114.9 55.4 -80.3 -42.0 2.3 32.4 -0.1 42 42 A E H 3<5S+ 0 0 95 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.918 111.9 42.5 -58.3 -48.0 -0.3 31.9 -2.9 43 43 A L T 3<5S- 0 0 51 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.424 110.0-125.5 -80.0 2.1 -0.1 28.1 -2.7 44 44 A H T < 5 - 0 0 147 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.885 31.4-142.9 54.6 41.7 -0.2 28.4 1.1 45 45 A Y < - 0 0 84 -5,-2.3 -42,-0.2 -6,-0.3 -1,-0.1 -0.026 10.8-152.1 -37.9 127.8 3.0 26.3 1.2 46 46 A S - 0 0 33 -44,-2.5 2,-2.5 -3,-0.1 4,-0.2 -0.900 6.4-156.6-113.8 101.0 2.9 23.9 4.2 47 47 A P S S- 0 0 54 0, 0.0 -44,-0.1 0, 0.0 5,-0.1 -0.453 79.4 -57.7 -74.0 71.9 6.4 23.0 5.5 48 48 A S S S+ 0 0 129 -2,-2.5 2,-0.1 1,-0.1 -45,-0.0 0.874 127.9 94.8 54.4 40.0 5.1 19.8 7.1 49 49 A A + 0 0 38 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.569 45.8 178.7-161.9 87.6 2.7 22.0 9.1 50 50 A V S S+ 0 0 142 1,-0.2 3,-0.1 -4,-0.2 -1,-0.1 0.794 84.1 60.0 -62.4 -29.3 -0.8 22.5 7.7 51 51 A A S S- 0 0 97 1,-0.1 2,-0.2 -5,-0.0 -1,-0.2 0.997 118.9 -81.5 -62.2 -69.0 -1.6 24.6 10.8 52 52 A R - 0 0 179 2,-0.1 -1,-0.1 -5,-0.1 2,-0.1 -0.666 40.3 -92.3-166.4-137.9 1.0 27.4 10.4 53 53 A S + 0 0 87 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.0 -0.512 66.8 101.4-167.6 88.8 4.7 27.9 11.1 54 54 A L + 0 0 116 -2,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.965 59.2 20.3-162.5 169.7 5.8 29.4 14.4 55 55 A K 0 0 182 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.254 360.0 360.0 61.2-149.9 7.2 28.6 17.9 56 56 A V 0 0 199 -3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.421 360.0 360.0-144.5 360.0 9.0 25.2 18.2