==== 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 1PRV . 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) . 4834.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 53.6 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 . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.4 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 1 0 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 0 227 0, 0.0 2,-0.3 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 142.5 -2.5 18.5 -1.4 2 2 A A + 0 0 35 44,-0.1 43,-0.0 1,-0.1 42,-0.0 -0.966 360.0 152.7-157.0 163.9 0.7 20.6 -1.7 3 3 A T S S- 0 0 76 -2,-0.3 42,-0.1 45,-0.0 45,-0.1 0.234 77.5 -42.9-158.0 -64.7 4.2 20.9 -0.2 4 4 A I S > S+ 0 0 61 42,-0.1 4,-2.1 43,-0.1 5,-0.2 0.381 120.3 71.0-152.0 -40.8 7.0 22.3 -2.5 5 5 A K H > S+ 0 0 148 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.856 92.8 64.0 -55.6 -39.6 6.7 20.8 -6.0 6 6 A D H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.954 112.2 29.5 -51.5 -64.9 3.5 22.8 -6.6 7 7 A V H >>S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 5,-0.7 0.821 116.6 61.3 -69.4 -31.8 5.0 26.3 -6.5 8 8 A A H X5S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.905 113.6 35.2 -61.0 -42.0 8.4 25.0 -7.8 9 9 A K H <5S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.790 121.4 48.2 -81.3 -31.6 6.8 23.9 -11.0 10 10 A R H <5S+ 0 0 194 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.925 123.6 28.6 -75.6 -47.5 4.3 26.8 -11.2 11 11 A A H <5S- 0 0 41 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.1 0.925 136.4 -7.6 -80.7 -49.0 6.7 29.6 -10.5 12 12 A N S <> S- 0 0 41 -6,-0.1 3,-1.1 -7,-0.1 4,-0.8 -0.921 76.2 -83.7-155.2 176.9 12.1 23.1 -10.1 15 15 A T H 3> S+ 0 0 55 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.716 113.6 79.3 -61.5 -21.5 13.1 23.7 -6.4 16 16 A T H 3> S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.923 94.4 45.3 -52.2 -49.2 16.6 24.4 -7.7 17 17 A T H <> S+ 0 0 40 -3,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.835 112.3 52.7 -65.4 -33.3 15.5 27.9 -8.8 18 18 A V H >X S+ 0 0 7 -4,-0.8 4,-1.2 1,-0.2 3,-1.0 0.927 106.4 51.6 -68.3 -45.6 13.7 28.4 -5.4 19 19 A S H 3X S+ 0 0 41 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.850 98.3 67.2 -60.4 -35.7 16.7 27.5 -3.3 20 20 A H H 3X>S+ 0 0 43 -4,-1.6 5,-0.8 1,-0.2 4,-0.8 0.850 102.5 47.3 -52.6 -37.5 18.8 30.1 -5.3 21 21 A V H <<5S+ 0 0 4 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.878 114.5 45.7 -72.3 -40.2 16.7 32.8 -3.7 22 22 A I H <5S+ 0 0 102 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.968 121.6 34.5 -68.8 -56.2 17.0 31.3 -0.2 23 23 A N H <5S- 0 0 88 -4,-2.9 -1,-0.2 1,-0.0 -2,-0.2 0.597 99.6-137.4 -76.5 -10.9 20.8 30.6 -0.2 24 24 A K T <5 + 0 0 139 -4,-0.8 3,-0.4 -5,-0.4 -3,-0.2 0.862 59.8 137.0 56.4 38.7 21.3 33.8 -2.3 25 25 A T S S+ 0 0 126 -2,-2.3 4,-3.0 1,-0.1 5,-0.3 0.005 113.7 97.2 69.1 -32.2 14.4 40.7 -7.7 31 31 A E H > S+ 0 0 147 -2,-1.4 4,-2.7 1,-0.2 5,-0.2 0.954 89.5 36.0 -50.9 -61.9 11.9 39.3 -10.3 32 32 A T H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.888 116.2 56.4 -61.1 -41.2 12.3 35.7 -9.3 33 33 A R H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.957 113.1 38.8 -56.0 -55.4 12.7 36.6 -5.6 34 34 A N H X S+ 0 0 99 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.921 115.7 53.1 -61.8 -46.1 9.4 38.5 -5.5 35 35 A A H X S+ 0 0 49 -4,-2.7 4,-2.9 -5,-0.3 -1,-0.2 0.891 110.5 48.1 -56.8 -43.1 7.6 35.9 -7.7 36 36 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.973 114.6 42.5 -63.4 -57.5 8.8 33.1 -5.4 37 37 A W H X S+ 0 0 116 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.868 117.7 48.9 -58.9 -37.8 7.7 34.7 -2.1 38 38 A A H X S+ 0 0 58 -4,-2.7 4,-2.8 -5,-0.2 3,-0.3 0.962 113.0 44.9 -66.0 -53.1 4.4 35.8 -3.8 39 39 A A H X>S+ 0 0 14 -4,-2.9 4,-2.9 1,-0.2 5,-0.6 0.880 107.4 60.3 -59.0 -41.6 3.6 32.4 -5.3 40 40 A I H X5S+ 0 0 38 -4,-2.8 4,-1.6 1,-0.2 5,-0.3 0.903 115.3 33.4 -53.4 -46.1 4.5 30.6 -2.0 41 41 A K H <5S+ 0 0 167 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.854 116.9 56.1 -79.8 -37.3 1.8 32.6 -0.1 42 42 A E H <5S+ 0 0 159 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.966 120.8 27.8 -59.3 -57.3 -0.6 32.8 -3.1 43 43 A L H <5S- 0 0 77 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.905 100.1-155.7 -70.9 -43.2 -0.8 29.0 -3.6 44 44 A H << + 0 0 95 -4,-1.6 -3,-0.1 -5,-0.6 -4,-0.1 0.788 27.0 167.4 65.0 118.7 -0.1 28.2 0.0 45 45 A Y - 0 0 25 -5,-0.3 -1,-0.1 -42,-0.1 -4,-0.1 -0.193 13.1-170.5-156.5 50.3 1.4 24.8 0.8 46 46 A S - 0 0 45 1,-0.2 -44,-0.1 4,-0.2 3,-0.1 -0.274 16.0-149.6 -51.0 119.3 2.7 24.9 4.4 47 47 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.774 84.6 17.4 -64.0 -26.3 4.7 21.7 4.9 48 48 A S S S+ 0 0 94 1,-0.3 -3,-0.1 4,-0.1 -45,-0.0 -0.989 122.8 19.4-149.0 138.8 3.7 21.7 8.5 49 49 A A - 0 0 66 -2,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 0.964 58.3-156.2 64.8 91.0 0.9 23.5 10.4 50 50 A V S S+ 0 0 108 1,-0.2 -4,-0.2 -3,-0.1 -1,-0.1 0.807 88.6 61.2 -65.7 -30.6 -1.7 24.6 7.8 51 51 A A S S- 0 0 94 1,-0.1 2,-0.2 -5,-0.0 -1,-0.2 0.991 120.2 -72.9 -60.3 -66.3 -2.9 27.4 10.1 52 52 A R - 0 0 189 2,-0.1 2,-0.2 -6,-0.0 -1,-0.1 -0.684 43.7-101.2-163.3-143.8 0.3 29.4 10.3 53 53 A S + 0 0 95 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.0 -0.725 47.8 133.0-169.1 112.6 3.8 29.1 12.0 54 54 A L + 0 0 130 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.980 54.7 1.1-159.4 159.4 5.0 30.8 15.2 55 55 A K 0 0 186 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.206 360.0 360.0 57.2-148.5 6.9 30.1 18.4 56 56 A V 0 0 197 -3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.417 360.0 360.0-145.3 360.0 8.0 26.5 18.9