==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 19-APR-12 4ER8 . COMPND 2 MOLECULE: TNPAREP FOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.A.J.MESSING,B.TON-HOANG,A.B.HICKMAN,R.GHIRLANDO,M.CHANDLER . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 61.8 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 . 25 15.2 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 . 1 0.6 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 0 1 0 0 0 0 0 0 0 1 1 0 1 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 . 2 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 0 214 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.7 5.9 -32.9 -33.4 2 2 A S - 0 0 62 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.351 360.0-172.9 -85.9 166.7 9.4 -31.2 -33.7 3 3 A E + 0 0 156 -2,-0.1 -1,-0.1 2,-0.0 0, 0.0 0.332 39.1 122.5-139.8 -3.1 12.4 -32.3 -35.8 4 4 A Y - 0 0 98 1,-0.0 2,-0.4 3,-0.0 -2,-0.0 -0.304 48.3-144.1 -70.0 157.9 15.3 -30.1 -34.9 5 5 A R - 0 0 228 3,-0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.988 25.4-110.9-121.2 128.2 18.6 -31.5 -33.7 6 6 A R - 0 0 18 -2,-0.4 2,-1.1 1,-0.1 95,-0.0 -0.223 26.4-133.1 -57.1 136.8 20.6 -29.6 -31.1 7 7 A Y - 0 0 111 2,-0.0 2,-0.5 93,-0.0 -1,-0.1 -0.807 29.1-169.8 -97.3 100.9 23.7 -28.2 -32.6 8 8 A Y + 0 0 109 -2,-1.1 2,-0.4 64,-0.0 63,-0.1 -0.806 17.3 155.8 -98.4 124.5 26.4 -29.2 -30.1 9 9 A I > - 0 0 89 -2,-0.5 3,-1.7 62,-0.2 2,-0.1 -0.963 43.0-114.2-147.3 129.2 29.9 -27.8 -30.4 10 10 A K T 3 S+ 0 0 130 -2,-0.4 61,-0.2 1,-0.2 58,-0.1 -0.408 100.8 10.8 -68.0 138.2 32.4 -27.5 -27.6 11 11 A G T 3 S+ 0 0 20 59,-1.8 -1,-0.2 56,-0.8 60,-0.1 0.389 100.5 155.2 77.5 2.0 33.3 -23.9 -26.7 12 12 A G < - 0 0 11 -3,-1.7 54,-2.3 58,-0.3 2,-0.4 0.055 40.8-136.2 -68.8 166.3 30.5 -22.7 -29.0 13 13 A T E +A 65 0A 32 90,-0.4 90,-1.9 52,-0.2 2,-0.3 -0.945 28.2 175.4-120.2 140.2 28.4 -19.6 -29.0 14 14 A W E -AB 64 102A 0 50,-2.2 50,-2.1 -2,-0.4 2,-0.4 -0.972 28.0-133.7-145.7 163.1 24.6 -19.6 -29.5 15 15 A F E -AB 63 101A 0 86,-2.8 86,-2.4 -2,-0.3 2,-0.3 -0.909 28.9-173.1-114.2 140.8 21.5 -17.5 -29.6 16 16 A F E -AB 62 100A 0 46,-2.6 46,-2.4 -2,-0.4 2,-0.4 -0.935 17.9-160.1-139.1 156.4 18.4 -18.7 -27.7 17 17 A T E -AB 61 99A 2 82,-1.3 82,-2.2 -2,-0.3 2,-0.5 -0.992 10.8-174.7-139.3 121.3 14.7 -17.6 -27.3 18 18 A V E -A 60 0A 0 42,-2.8 42,-2.7 -2,-0.4 2,-0.4 -0.990 10.1-162.1-122.8 125.3 12.8 -18.8 -24.3 19 19 A N E -A 59 0A 4 -2,-0.5 76,-3.5 40,-0.3 2,-0.3 -0.857 19.3-127.6-111.5 143.3 9.1 -18.0 -24.2 20 20 A L B -E 94 0B 2 38,-2.6 74,-0.3 -2,-0.4 73,-0.1 -0.657 27.4-126.2 -76.0 141.6 6.6 -18.0 -21.4 21 21 A R S S+ 0 0 128 72,-3.7 2,-0.6 -2,-0.3 73,-0.1 0.845 92.3 70.6 -55.3 -40.3 3.5 -20.1 -22.3 22 22 A N > - 0 0 95 71,-0.4 3,-1.7 1,-0.1 -2,-0.1 -0.745 66.3-157.5 -96.5 113.5 1.1 -17.2 -21.6 23 23 A R T 3 S+ 0 0 87 -2,-0.6 -1,-0.1 1,-0.3 35,-0.1 0.782 93.6 48.8 -56.2 -38.3 1.1 -14.2 -24.0 24 24 A R T 3 S+ 0 0 216 33,-0.0 -1,-0.3 34,-0.0 -2,-0.0 0.336 86.7 119.0 -88.9 4.2 -0.4 -11.7 -21.5 25 25 A S < - 0 0 21 -3,-1.7 -5,-0.1 1,-0.1 0, 0.0 -0.298 37.6-179.5 -66.7 154.3 2.0 -12.7 -18.7 26 26 A Q >> + 0 0 101 32,-0.1 4,-3.1 2,-0.0 3,-0.8 0.072 47.8 118.2-137.0 17.9 4.4 -10.0 -17.2 27 27 A L H 3> + 0 0 27 1,-0.2 4,-2.1 2,-0.2 31,-0.2 0.780 66.8 56.8 -54.9 -38.3 6.0 -12.4 -14.9 28 28 A L H 34 S+ 0 0 0 29,-2.3 -1,-0.2 2,-0.2 30,-0.1 0.788 117.8 37.5 -72.4 -19.8 9.6 -12.2 -16.3 29 29 A T H X4 S+ 0 0 21 -3,-0.8 3,-2.5 28,-0.6 -2,-0.2 0.937 116.4 47.4 -91.7 -60.7 9.4 -8.5 -15.7 30 30 A T H 3< S+ 0 0 96 -4,-3.1 3,-0.4 1,-0.3 -3,-0.2 0.914 123.1 37.5 -46.1 -52.0 7.5 -8.3 -12.4 31 31 A Q T 3X S+ 0 0 59 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 -0.053 75.1 138.3 -96.2 36.1 9.7 -11.0 -10.9 32 32 A Y H <> + 0 0 48 -3,-2.5 4,-3.4 1,-0.2 -1,-0.2 0.859 69.5 57.2 -40.4 -42.1 12.8 -9.7 -12.6 33 33 A Q H > S+ 0 0 97 -3,-0.4 4,-3.4 2,-0.2 -1,-0.2 0.911 103.3 47.7 -63.9 -52.4 14.6 -10.4 -9.4 34 34 A M H > S+ 0 0 57 -3,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.918 115.2 49.6 -54.4 -43.5 13.9 -14.1 -9.1 35 35 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.984 111.4 45.7 -59.1 -61.0 14.9 -14.5 -12.7 36 36 A R H X S+ 0 0 107 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.921 114.6 51.0 -43.9 -49.8 18.1 -12.6 -12.2 37 37 A H H X S+ 0 0 115 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.922 108.1 51.4 -57.9 -47.7 18.7 -14.7 -9.1 38 38 A A H X S+ 0 0 6 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.870 108.6 49.0 -55.7 -47.6 18.1 -18.0 -11.0 39 39 A I H X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.903 110.9 53.2 -62.9 -41.9 20.5 -17.3 -13.8 40 40 A I H X S+ 0 0 76 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.935 107.2 50.0 -53.4 -53.5 23.1 -16.3 -11.1 41 41 A K H X S+ 0 0 106 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.893 117.2 40.9 -55.2 -43.5 22.7 -19.6 -9.2 42 42 A V H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.874 109.8 57.0 -75.0 -40.3 23.1 -21.7 -12.4 43 43 A K H < S+ 0 0 73 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.914 106.0 52.3 -59.7 -45.3 25.9 -19.6 -13.9 44 44 A R H < S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.0 41.8 -51.8 -50.5 28.0 -20.2 -10.7 45 45 A D H < S+ 0 0 101 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.778 130.7 24.1 -75.6 -28.2 27.5 -24.1 -10.9 46 46 A R S < S- 0 0 89 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.758 93.3-138.7-138.9 84.6 28.0 -24.4 -14.7 47 47 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.060 33.7 153.9 -51.5 140.5 30.1 -21.4 -15.9 48 48 A F - 0 0 8 18,-0.2 2,-0.5 -5,-0.1 18,-0.2 -0.968 40.9-111.1-152.7 167.9 29.2 -19.5 -19.1 49 49 A E E -C 65 0A 119 16,-2.7 16,-1.8 -2,-0.3 2,-1.2 -0.906 19.2-143.5-103.2 122.6 29.6 -16.1 -20.7 50 50 A I E +C 64 0A 34 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.751 20.9 177.3 -78.9 97.4 26.5 -14.0 -21.2 51 51 A N E - 0 0 18 12,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.937 69.7 -22.6 -64.9 -47.4 27.3 -12.3 -24.5 52 52 A A E -C 63 0A 0 11,-1.4 11,-3.0 -3,-0.2 2,-0.3 -0.987 61.9-178.4-160.2 159.4 23.9 -10.6 -24.4 53 53 A W E -C 62 0A 11 -2,-0.3 83,-2.1 9,-0.3 2,-0.4 -0.956 6.8-170.9-158.5 134.8 20.4 -11.0 -23.0 54 54 A V E -CD 61 135A 0 7,-2.5 7,-1.2 -2,-0.3 2,-0.5 -0.982 10.3-157.0-115.1 149.9 17.0 -9.2 -23.0 55 55 A V E -C 60 0A 5 79,-2.6 5,-0.2 -2,-0.4 79,-0.1 -0.981 10.2-172.1-116.7 129.2 14.1 -10.1 -20.8 56 56 A L - 0 0 0 3,-3.0 3,-0.2 -2,-0.5 -28,-0.0 -0.598 43.7 -97.7-107.1 174.2 10.7 -9.1 -22.0 57 57 A P S S+ 0 0 2 0, 0.0 -29,-2.3 0, 0.0 -28,-0.6 0.910 120.9 17.4 -60.6 -34.7 7.6 -9.4 -19.8 58 58 A E S S+ 0 0 14 -31,-0.2 -38,-2.6 -30,-0.1 2,-0.3 0.259 130.2 11.3-124.0 13.3 6.8 -12.8 -21.4 59 59 A H E -A 19 0A 0 -40,-0.3 -3,-3.0 -3,-0.2 2,-0.3 -0.957 58.4-146.3-172.6 170.5 9.9 -14.2 -23.2 60 60 A M E -AC 18 55A 0 -42,-2.7 -42,-2.8 -2,-0.3 2,-0.4 -0.979 1.6-156.6-148.3 156.1 13.6 -13.6 -23.5 61 61 A H E +AC 17 54A 0 -7,-1.2 -7,-2.5 -2,-0.3 2,-0.3 -0.979 24.8 162.7-127.6 145.5 16.3 -13.9 -26.1 62 62 A C E -AC 16 53A 0 -46,-2.4 -46,-2.6 -2,-0.4 2,-0.4 -0.990 31.7-131.4-158.1 167.7 20.0 -14.3 -25.3 63 63 A I E -AC 15 52A 0 -11,-3.0 -12,-1.8 -2,-0.3 -11,-1.4 -0.990 25.0-178.1-124.1 127.4 23.6 -15.2 -26.5 64 64 A W E -AC 14 50A 0 -50,-2.1 -50,-2.2 -2,-0.4 2,-0.4 -0.878 16.5-159.4-120.5 156.0 26.0 -17.5 -24.6 65 65 A T E -AC 13 49A 32 -16,-1.8 -16,-2.7 -2,-0.3 -52,-0.2 -0.995 21.8-144.9-132.3 125.8 29.5 -18.8 -25.1 66 66 A L - 0 0 5 -54,-2.3 -18,-0.2 -2,-0.4 3,-0.1 -0.640 25.0 -90.3 -97.2 152.7 30.4 -21.9 -23.2 67 67 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 -56,-0.8 0.114 59.7 -76.3 -46.8 161.5 33.8 -22.8 -21.6 68 68 A E T 3 S+ 0 0 169 1,-0.2 -57,-0.1 -58,-0.1 3,-0.1 -0.388 121.7 15.9 -63.9 145.3 36.4 -24.7 -23.7 69 69 A G T 3 S+ 0 0 42 1,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.426 102.9 112.9 72.7 0.5 35.4 -28.4 -24.0 70 70 A D < + 0 0 41 -3,-1.7 -59,-1.8 1,-0.1 -58,-0.3 -0.916 26.8 159.8-114.8 120.8 31.8 -27.7 -22.9 71 71 A D + 0 0 55 -2,-0.5 2,-1.5 -61,-0.2 3,-0.3 0.294 40.1 115.7-114.0 9.1 28.8 -28.1 -25.3 72 72 A D > + 0 0 43 1,-0.2 4,-1.1 -64,-0.1 -1,-0.1 -0.432 11.1 139.6 -99.0 69.0 26.0 -28.4 -22.7 73 73 A F H > + 0 0 0 -2,-1.5 4,-2.4 2,-0.2 5,-0.2 0.714 68.7 73.4 -69.2 -19.4 23.6 -25.5 -22.9 74 74 A S H > S+ 0 0 31 -3,-0.3 4,-2.5 2,-0.2 3,-0.2 0.983 98.6 41.3 -59.9 -59.3 20.8 -28.1 -22.4 75 75 A S H > S+ 0 0 15 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.928 112.6 56.6 -50.0 -50.1 21.5 -28.6 -18.7 76 76 A R H X S+ 0 0 3 -4,-1.1 4,-2.2 1,-0.3 -1,-0.2 0.899 110.9 42.0 -55.7 -42.9 22.1 -25.0 -18.2 77 77 A W H X S+ 0 0 1 -4,-2.4 4,-2.1 -3,-0.2 5,-0.3 0.826 111.4 57.3 -73.2 -30.5 18.6 -24.1 -19.6 78 78 A R H X S+ 0 0 145 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.956 110.0 42.9 -68.3 -42.6 17.1 -26.9 -17.7 79 79 A E H X S+ 0 0 38 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.952 112.1 54.5 -66.4 -43.9 18.3 -25.6 -14.4 80 80 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.938 111.2 42.0 -56.9 -53.6 17.5 -22.0 -15.1 81 81 A K H X S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.845 116.0 54.9 -62.9 -30.7 13.8 -22.6 -16.0 82 82 A K H X S+ 0 0 101 -4,-1.6 4,-2.9 -5,-0.3 -2,-0.2 0.984 107.1 45.5 -67.2 -57.8 13.7 -24.9 -13.0 83 83 A Q H X S+ 0 0 54 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.933 116.7 46.3 -48.1 -52.8 15.1 -22.5 -10.4 84 84 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 6,-0.3 0.876 110.9 51.2 -64.8 -36.0 12.7 -19.8 -11.6 85 85 A T H <>S+ 0 0 37 -4,-2.0 5,-0.6 -5,-0.3 4,-0.5 0.944 115.3 45.0 -60.9 -44.4 9.8 -22.1 -11.7 86 86 A H H ><5S+ 0 0 154 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.966 109.6 54.2 -58.3 -59.6 10.6 -23.1 -8.1 87 87 A A H 3<5S+ 0 0 53 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 116.3 35.8 -50.0 -42.8 11.2 -19.6 -6.8 88 88 A C T 3<5S- 0 0 23 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.415 99.0-137.9 -97.3 3.0 7.8 -18.3 -8.0 89 89 A G T < 5 + 0 0 46 -3,-1.7 2,-0.2 -4,-0.5 -3,-0.2 0.561 55.4 137.3 56.4 13.2 6.1 -21.6 -7.2 90 90 A L < - 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