==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 20-APR-03 1O57 . COMPND 2 MOLECULE: PUR OPERON REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.C.SINHA,J.KRAHN,B.S.SHIN,D.R.TOMCHICK,H.ZALKIN,J.L.SMITH . 1078 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 767 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 67 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 0 2 2 1 0 7 0 4 4 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 4 0 0 4 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 . 6 7 1 1 2 5 2 1 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 . 4 8 0 0 4 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 2 A K 0 0 173 0, 0.0 2,-0.4 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 141.7 63.5 57.6 3.5 2 3 A F - 0 0 25 30,-0.6 2,-0.1 31,-0.1 30,-0.0 -0.998 360.0-133.1-135.3 132.7 59.9 56.4 3.0 3 4 A R > - 0 0 180 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.444 42.8 -99.9 -74.8 159.9 57.8 56.7 -0.1 4 5 A R H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 121.8 51.8 -46.9 -53.0 54.3 58.0 0.8 5 6 A S H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 112.2 44.1 -51.9 -51.2 52.7 54.5 0.7 6 7 A G H > S+ 0 0 7 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 111.4 55.8 -63.4 -38.9 55.3 52.9 3.1 7 8 A R H X S+ 0 0 17 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.908 105.8 50.7 -62.1 -42.0 55.0 56.0 5.3 8 9 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.871 111.4 48.7 -63.2 -37.8 51.2 55.5 5.6 9 10 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.958 115.4 42.9 -66.2 -49.0 51.7 51.9 6.5 10 11 A D H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.901 114.4 50.3 -63.6 -43.2 54.3 52.6 9.2 11 12 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.2 0.893 111.0 50.1 -60.7 -43.7 52.4 55.6 10.5 12 13 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.960 112.5 45.9 -61.9 -48.1 49.3 53.5 10.8 13 14 A N H X S+ 0 0 21 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.932 113.5 51.4 -59.0 -43.6 51.2 50.8 12.6 14 15 A Y H < S+ 0 0 33 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.924 112.1 43.5 -61.3 -48.2 52.8 53.4 14.8 15 16 A L H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.935 111.9 53.6 -63.3 -46.2 49.5 55.1 15.8 16 17 A L H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 112.2 45.1 -60.4 -30.6 47.7 51.8 16.4 17 18 A T T 3< S+ 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.423 114.7 48.4 -94.5 2.9 50.5 50.7 18.8 18 19 A H S X S+ 0 0 52 -3,-1.6 3,-0.6 -4,-0.4 52,-0.5 -0.406 75.9 169.7-134.4 59.1 50.7 54.0 20.7 19 20 A P T 3 + 0 0 13 0, 0.0 52,-0.2 0, 0.0 3,-0.1 -0.339 62.8 19.5 -70.9 157.2 47.1 54.9 21.6 20 21 A H T 3 S+ 0 0 35 50,-3.0 2,-0.4 1,-0.2 51,-0.1 0.885 95.4 122.1 52.0 43.5 46.3 57.7 23.9 21 22 A E < - 0 0 67 -3,-0.6 2,-0.7 49,-0.2 49,-0.5 -0.994 63.1-132.1-135.5 125.7 49.7 59.3 23.5 22 23 A L - 0 0 77 -2,-0.4 47,-0.2 47,-0.1 38,-0.1 -0.704 28.2-167.3 -79.4 114.7 50.3 62.8 22.2 23 24 A I B -A 68 0A 3 45,-3.1 45,-3.0 -2,-0.7 2,-0.1 -0.922 17.4-127.1-110.9 123.0 53.0 62.5 19.5 24 25 A P >> - 0 0 64 0, 0.0 3,-1.2 0, 0.0 4,-1.0 -0.406 15.0-128.5 -66.6 138.9 54.7 65.6 18.2 25 26 A L H 3> S+ 0 0 42 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.838 108.4 67.1 -56.3 -30.2 54.6 66.1 14.4 26 27 A T H 3> S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.870 91.7 58.9 -58.0 -40.8 58.4 66.6 14.7 27 28 A F H <> S+ 0 0 72 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.944 111.8 40.1 -55.0 -48.6 58.8 63.0 15.7 28 29 A F H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.896 111.5 56.4 -68.4 -40.5 57.2 61.8 12.5 29 30 A S H <>S+ 0 0 24 -4,-2.6 5,-2.2 1,-0.2 4,-0.4 0.903 113.4 41.7 -58.3 -41.7 58.9 64.4 10.3 30 31 A E H <5S+ 0 0 136 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.903 112.5 53.5 -72.6 -41.6 62.2 63.2 11.6 31 32 A R H <5S+ 0 0 83 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.903 121.8 30.3 -61.1 -41.2 61.3 59.5 11.4 32 33 A Y T <5S- 0 0 1 -4,-2.8 -30,-0.6 -5,-0.1 -1,-0.2 0.381 102.6-127.8-100.7 3.6 60.3 59.8 7.7 33 34 A E T 5 + 0 0 147 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.940 66.7 131.5 48.6 53.8 62.8 62.6 6.9 34 35 A S < - 0 0 24 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.900 64.9 -91.4-135.4 163.6 59.8 64.5 5.5 35 36 A A >> - 0 0 56 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.380 35.0-122.2 -69.5 151.1 58.2 68.0 5.6 36 37 A K H 3> S+ 0 0 92 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.851 111.8 63.8 -63.1 -32.3 55.5 68.4 8.3 37 38 A S H 3> S+ 0 0 73 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 103.8 46.0 -59.5 -39.3 53.1 69.3 5.5 38 39 A S H <> S+ 0 0 34 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.890 111.7 51.5 -70.7 -38.4 53.4 65.8 4.0 39 40 A I H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.947 108.4 51.8 -62.2 -47.5 53.0 64.2 7.4 40 41 A S H X S+ 0 0 49 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.877 108.1 51.6 -56.9 -39.7 49.8 66.3 8.1 41 42 A E H X S+ 0 0 98 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.906 110.2 48.7 -64.3 -41.7 48.4 65.1 4.8 42 43 A D H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.928 108.6 54.1 -63.0 -43.3 49.1 61.5 5.7 43 44 A L H X S+ 0 0 6 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.804 106.2 52.8 -61.8 -27.8 47.5 62.0 9.1 44 45 A T H X S+ 0 0 67 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.876 107.9 50.1 -74.7 -39.2 44.4 63.3 7.3 45 46 A I H X S+ 0 0 36 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.944 115.3 44.2 -61.5 -44.7 44.2 60.2 5.2 46 47 A I H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.3 0.920 111.7 52.1 -67.9 -42.2 44.6 58.1 8.4 47 48 A K H X S+ 0 0 93 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.931 112.0 46.6 -57.7 -48.2 42.1 60.2 10.3 48 49 A Q H X S+ 0 0 99 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.931 115.7 45.3 -59.9 -48.8 39.5 59.8 7.5 49 50 A T H X S+ 0 0 6 -4,-2.4 4,-2.7 -5,-0.2 6,-0.3 0.926 112.7 49.9 -62.2 -45.9 40.1 56.1 7.2 50 51 A F H <>S+ 0 0 0 -4,-3.4 5,-2.4 1,-0.2 6,-1.3 0.885 113.8 47.2 -62.4 -36.9 40.0 55.5 11.0 51 52 A E H ><5S+ 0 0 99 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.966 115.4 42.5 -69.2 -52.7 36.8 57.4 11.2 52 53 A Q H 3<5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.832 116.6 48.5 -64.5 -32.6 35.0 55.7 8.3 53 54 A Q T 3<5S- 0 0 62 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.452 110.4-119.6 -89.3 1.5 36.2 52.3 9.3 54 55 A G T < 5S+ 0 0 8 -3,-1.2 21,-0.3 -4,-0.3 -3,-0.2 0.806 75.6 126.5 67.9 27.5 35.2 52.7 13.0 55 56 A I S S- 0 0 60 1,-0.1 3,-1.4 2,-0.1 -2,-0.1 -0.008 95.5 -77.1 96.0 159.7 50.9 74.2 18.2 64 65 A A T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -40,-0.1 -38,-0.1 0.635 133.5 53.1 -69.1 -14.4 54.5 73.2 18.9 65 66 A A T 3 S+ 0 0 96 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.457 107.1 70.1 -95.2 -6.0 53.2 71.8 22.2 66 67 A G < + 0 0 5 -3,-1.4 2,-0.3 1,-0.1 -3,-0.1 0.328 49.9 147.2 -86.9-142.9 50.6 69.8 20.2 67 68 A G E - B 0 61A 4 -6,-2.2 -6,-3.0 -43,-0.2 2,-0.3 -0.985 52.0 -50.6 141.7-149.7 50.9 66.9 17.9 68 69 A V E -AB 23 60A 0 -45,-3.0 -45,-3.1 -2,-0.3 2,-0.4 -0.933 39.0-166.7-127.9 149.3 48.6 64.0 17.1 69 70 A K E - B 0 59A 66 -10,-2.3 -10,-3.7 -2,-0.3 2,-0.6 -0.980 13.4-144.7-138.7 127.9 46.8 61.5 19.3 70 71 A Y E - B 0 58A 8 -49,-0.5 -50,-3.0 -52,-0.5 -49,-0.2 -0.794 16.0-169.4 -93.2 121.3 45.1 58.3 18.4 71 72 A I E - B 0 57A 15 -14,-3.4 -14,-2.7 -2,-0.6 2,-0.2 -0.950 19.5-134.8-114.4 111.4 42.0 57.5 20.5 72 73 A P E + B 0 56A 0 0, 0.0 2,-0.3 0, 0.0 -16,-0.3 -0.489 35.1 171.9 -64.1 129.7 40.5 54.0 20.0 73 74 A K - 0 0 55 -18,-1.1 2,-0.5 -2,-0.2 47,-0.1 -0.994 24.0-147.4-140.3 146.0 36.7 54.3 19.7 74 75 A M - 0 0 6 -2,-0.3 -19,-0.1 45,-0.2 -20,-0.1 -0.961 22.6-122.1-117.5 129.3 34.0 51.9 18.8 75 76 A K > - 0 0 89 -2,-0.5 4,-2.4 -21,-0.3 5,-0.2 -0.332 23.4-120.3 -63.0 146.2 30.9 52.9 16.8 76 77 A Q H > S+ 0 0 64 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.896 111.5 56.7 -54.8 -43.6 27.6 52.2 18.6 77 78 A A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 109.5 45.4 -59.0 -43.3 26.4 49.9 15.8 78 79 A E H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.905 111.9 51.6 -66.3 -40.2 29.4 47.7 16.2 79 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.944 111.1 47.9 -62.0 -45.0 29.2 47.6 19.9 80 81 A E H X S+ 0 0 71 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.940 113.5 47.3 -61.8 -42.8 25.5 46.6 19.7 81 82 A E H X S+ 0 0 132 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.941 113.7 48.1 -62.9 -45.4 26.3 43.8 17.2 82 83 A F H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.894 111.6 47.9 -63.9 -42.1 29.1 42.6 19.2 83 84 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.904 111.4 51.1 -67.2 -39.0 27.3 42.5 22.5 84 85 A Q H X S+ 0 0 108 -4,-2.3 4,-3.2 -5,-0.3 5,-0.2 0.928 111.4 47.3 -63.4 -44.3 24.3 40.7 21.0 85 86 A T H X S+ 0 0 79 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.926 114.0 47.6 -63.4 -42.9 26.6 38.0 19.5 86 87 A L H X S+ 0 0 7 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.911 112.8 49.7 -65.0 -39.8 28.4 37.7 22.8 87 88 A G H X S+ 0 0 8 -4,-3.0 4,-1.8 2,-0.2 3,-0.4 0.956 108.7 50.9 -63.7 -48.8 25.0 37.5 24.5 88 89 A Q H < S+ 0 0 125 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.899 109.7 52.2 -55.7 -40.7 23.6 34.8 22.2 89 90 A S H >< S+ 0 0 52 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.3 0.852 111.4 45.7 -65.4 -34.4 26.8 32.8 22.8 90 91 A L H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.720 93.9 76.8 -82.7 -19.5 26.4 33.0 26.5 91 92 A A T 3< + 0 0 37 -4,-1.8 166,-0.3 -3,-0.2 -1,-0.2 0.272 66.6 125.2 -75.4 15.6 22.7 32.1 26.6 92 93 A N X - 0 0 69 -3,-0.6 3,-2.5 1,-0.2 164,-0.1 -0.656 62.5-142.0 -79.3 121.4 23.6 28.5 25.9 93 94 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.796 97.1 74.1 -51.8 -30.5 22.1 26.2 28.6 94 95 A E G 3 S+ 0 0 126 1,-0.3 -3,-0.1 161,-0.1 -2,-0.0 0.695 86.1 63.5 -57.8 -20.4 25.3 24.2 28.5 95 96 A R G < S+ 0 0 19 -3,-2.5 8,-2.0 -5,-0.2 -1,-0.3 0.244 75.5 143.2 -89.6 11.6 27.0 27.1 30.5 96 97 A I E < -C 102 0B 68 -3,-1.9 6,-0.2 6,-0.2 161,-0.1 -0.265 26.9-175.4 -58.9 132.5 24.8 26.6 33.5 97 98 A L E >> -C 101 0B 56 4,-1.6 4,-1.3 6,-0.0 3,-1.0 -0.995 27.5-111.1-132.6 138.1 26.4 27.0 36.9 98 99 A P T 34 S+ 0 0 124 0, 0.0 4,-0.0 0, 0.0 152,-0.0 -0.372 100.0 39.7 -66.6 142.7 24.9 26.5 40.3 99 100 A G T 34 S- 0 0 59 1,-0.1 150,-0.0 151,-0.1 151,-0.0 0.464 135.0 -66.0 97.0 3.6 24.3 29.6 42.4 100 101 A G T <4 S+ 0 0 8 -3,-1.0 2,-0.3 1,-0.3 150,-0.2 0.798 98.0 134.9 86.1 32.2 23.1 31.6 39.5 101 102 A Y E < -C 97 0B 53 -4,-1.3 -4,-1.6 148,-0.1 2,-0.3 -0.732 42.6-143.8-112.9 160.8 26.4 31.7 37.6 102 103 A V E -C 96 0B 19 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.908 26.0-107.8-123.6 151.3 27.3 31.2 34.0 103 104 A Y + 0 0 26 -8,-2.0 4,-0.1 -2,-0.3 -8,-0.0 -0.688 46.4 155.9 -80.4 115.0 30.4 29.5 32.4 104 105 A L >> + 0 0 14 -2,-0.7 4,-2.9 2,-0.1 3,-0.8 0.499 40.7 102.8-114.6 -11.1 32.6 32.3 30.9 105 106 A T T 34 S+ 0 0 57 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.813 79.8 50.0 -43.5 -47.9 36.0 30.6 30.9 106 107 A D T 34 S+ 0 0 59 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.865 115.8 41.3 -66.3 -36.9 36.1 29.7 27.2 107 108 A I T X4 S+ 0 0 3 -3,-0.8 3,-1.8 1,-0.2 7,-0.3 0.877 109.9 56.9 -79.7 -35.4 35.2 33.3 26.0 108 109 A L T 3< S+ 0 0 9 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.604 103.3 60.0 -68.3 -5.6 37.4 35.0 28.6 109 110 A G T 3 S+ 0 0 3 -4,-0.4 319,-2.6 -5,-0.3 -1,-0.3 0.432 84.4 91.3-100.0 0.7 40.2 32.9 27.0 110 111 A K <> - 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