==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 09-AUG-07 2Z6U . COMPND 2 MOLECULE: MODIFICATION METHYLASE HHAI; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS PARAHAEMOLYTICUS; . AUTHOR F.K.SHIEH . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.1 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 0.3 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 0 2 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 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 . 1 2 1 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 0 2 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 68 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 163.2 -29.4 32.6 70.6 2 2 A I - 0 0 66 306,-0.1 2,-0.3 307,-0.0 28,-0.0 -0.615 360.0-113.5 -99.9 155.9 -29.5 33.0 66.8 3 3 A E - 0 0 145 -2,-0.2 2,-0.5 2,-0.0 -1,-0.0 -0.696 28.5-157.9 -86.3 143.0 -29.8 30.3 64.1 4 4 A I - 0 0 17 -2,-0.3 3,-0.1 26,-0.2 -2,-0.0 -0.951 17.0-180.0-127.4 115.9 -26.7 29.8 62.0 5 5 A K S S+ 0 0 155 -2,-0.5 2,-0.9 1,-0.2 -1,-0.1 0.868 73.2 58.8 -81.1 -37.0 -27.0 28.3 58.5 6 6 A D S S- 0 0 95 1,-0.0 2,-2.1 3,-0.0 -1,-0.2 -0.803 76.2-150.3 -98.7 101.9 -23.3 28.4 57.4 7 7 A K > + 0 0 89 -2,-0.9 3,-2.3 1,-0.2 24,-0.1 -0.427 18.1 178.9 -71.4 80.1 -21.3 26.5 59.9 8 8 A Q T 3 S+ 0 0 37 -2,-2.1 -1,-0.2 1,-0.3 24,-0.1 0.772 80.2 51.9 -53.4 -25.5 -18.0 28.4 59.7 9 9 A L T > S+ 0 0 1 22,-2.4 3,-1.8 19,-0.1 -1,-0.3 0.275 74.3 139.5-100.0 14.6 -16.6 26.1 62.3 10 10 A T T < S+ 0 0 95 -3,-2.3 23,-0.2 21,-0.4 3,-0.1 -0.276 74.3 17.0 -57.2 137.8 -17.4 22.7 60.8 11 11 A G T 3 S+ 0 0 69 21,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.165 100.5 113.8 86.1 -21.3 -14.6 20.1 61.3 12 12 A L < - 0 0 33 -3,-1.8 22,-2.3 20,-0.1 2,-0.4 -0.656 54.3-149.9 -87.9 142.1 -13.0 22.2 64.0 13 13 A R E -a 34 0A 83 -2,-0.3 60,-3.2 20,-0.2 61,-1.5 -0.913 14.9-167.3-113.8 139.9 -12.8 20.9 67.5 14 14 A F E -ab 35 74A 0 20,-2.6 22,-2.8 -2,-0.4 23,-0.7 -0.792 18.6-127.3-126.4 167.5 -12.8 23.0 70.7 15 15 A I E -ab 37 75A 0 59,-2.2 61,-2.2 -2,-0.3 2,-0.8 -0.919 12.4-150.4-113.4 134.7 -12.2 23.0 74.5 16 16 A D E > +ab 38 76A 0 21,-3.4 23,-3.0 -2,-0.4 3,-0.6 -0.769 24.0 177.4-108.8 85.9 -14.7 24.4 77.0 17 17 A L E 3 S+ b 0 77A 2 59,-2.1 61,-0.6 -2,-0.8 23,-0.1 -0.625 70.3 11.5 -88.5 149.0 -12.6 25.6 80.0 18 18 A F T 3 S+ 0 0 3 21,-0.3 -1,-0.3 -2,-0.2 22,-0.2 0.908 86.8 177.4 49.3 44.2 -14.3 27.3 82.9 19 19 A A X> + 0 0 0 20,-2.6 3,-2.4 -3,-0.6 4,-0.5 0.810 10.4 164.0 -47.2 -51.2 -17.5 25.9 81.3 20 20 A G T 34 S- 0 0 2 309,-0.3 -1,-0.2 1,-0.3 29,-0.2 -0.474 82.3 -6.9 63.8-120.1 -20.2 27.0 83.8 21 21 A L T 34 S- 0 0 0 -2,-0.4 -1,-0.3 280,-0.3 -2,-0.1 0.617 101.7-110.1 -82.0 -13.4 -23.5 26.6 81.9 22 22 A G T <> + 0 0 0 -3,-2.4 4,-2.4 -4,-0.1 3,-0.3 0.694 63.3 153.2 91.8 20.7 -21.6 25.9 78.6 23 23 A G H X S+ 0 0 0 306,-0.6 4,-2.1 -4,-0.5 5,-0.1 0.856 75.1 50.6 -49.5 -40.7 -22.5 29.2 76.9 24 24 A F H > S+ 0 0 1 -5,-0.3 4,-3.2 305,-0.3 5,-0.3 0.897 107.8 52.5 -65.5 -41.4 -19.3 28.9 74.8 25 25 A R H > S+ 0 0 14 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.927 108.8 50.3 -61.5 -44.2 -20.2 25.3 73.8 26 26 A L H X S+ 0 0 24 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.936 114.0 45.3 -58.8 -46.9 -23.6 26.4 72.6 27 27 A A H < S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 3,-0.4 0.959 117.5 40.8 -63.7 -53.4 -22.1 29.2 70.6 28 28 A L H ><>S+ 0 0 1 -4,-3.2 5,-2.3 1,-0.2 3,-0.6 0.824 113.8 54.9 -68.0 -27.7 -19.3 27.2 69.0 29 29 A E H ><5S+ 0 0 73 -4,-2.7 3,-1.2 -5,-0.3 -1,-0.2 0.807 100.8 58.3 -74.2 -27.0 -21.6 24.2 68.5 30 30 A S T 3<5S+ 0 0 15 -4,-1.5 -1,-0.2 -3,-0.4 -26,-0.2 0.613 105.5 52.0 -75.7 -10.9 -24.1 26.3 66.6 31 31 A C T < 5S- 0 0 0 -3,-0.6 -22,-2.4 -4,-0.5 -21,-0.4 0.296 128.6 -96.9-104.9 6.0 -21.3 27.2 64.2 32 32 A G T < 5S+ 0 0 25 -3,-1.2 -21,-0.7 1,-0.3 -3,-0.2 0.426 75.8 140.5 96.4 0.1 -20.5 23.5 63.6 33 33 A A < - 0 0 6 -5,-2.3 2,-0.5 -23,-0.2 -1,-0.3 -0.336 45.7-130.1 -75.7 159.1 -17.6 23.0 66.1 34 34 A E E -a 13 0A 109 -22,-2.3 -20,-2.6 -25,-0.2 2,-0.5 -0.943 10.0-138.5-116.0 122.3 -17.1 19.9 68.2 35 35 A C E +a 14 0A 15 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.652 26.0 170.5 -78.7 121.3 -16.5 20.1 71.9 36 36 A V E + 0 0 34 -22,-2.8 2,-0.3 -2,-0.5 -21,-0.2 0.505 64.7 16.3-108.7 -6.3 -13.8 17.5 72.9 37 37 A Y E -a 15 0A 22 -23,-0.7 -21,-3.4 32,-0.1 2,-0.4 -0.943 57.9-168.8-165.8 140.2 -13.2 18.5 76.5 38 38 A S E -a 16 0A 4 -2,-0.3 20,-1.9 -23,-0.2 2,-0.4 -0.996 4.3-166.7-136.9 142.5 -14.9 20.6 79.2 39 39 A N B +f 58 0B 3 -23,-3.0 -20,-2.6 -2,-0.4 -21,-0.3 -0.997 22.7 140.2-134.6 131.4 -13.7 21.8 82.6 40 40 A E - 0 0 0 18,-1.8 20,-0.1 -2,-0.4 -2,-0.0 -0.827 26.9-163.1-167.0 123.7 -15.6 23.3 85.5 41 41 A W + 0 0 131 -2,-0.2 2,-0.4 18,-0.1 19,-0.2 0.631 57.4 105.3 -92.4 -12.3 -15.1 22.6 89.2 42 42 A D > - 0 0 33 1,-0.2 4,-2.5 17,-0.1 5,-0.2 -0.555 64.0-144.2 -73.3 121.8 -18.4 23.9 90.7 43 43 A K H > S+ 0 0 131 -2,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.886 97.7 44.1 -50.5 -48.2 -20.5 20.9 91.7 44 44 A Y H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.932 111.8 50.7 -67.1 -47.0 -23.8 22.6 90.8 45 45 A A H > S+ 0 0 2 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.895 109.0 55.3 -57.1 -38.5 -22.6 24.0 87.5 46 46 A Q H X S+ 0 0 24 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.888 105.5 51.6 -60.2 -40.6 -21.4 20.5 86.7 47 47 A E H X S+ 0 0 71 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.918 112.6 44.0 -64.0 -45.2 -24.9 19.2 87.4 48 48 A V H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.906 111.5 55.4 -65.7 -41.9 -26.5 21.7 85.0 49 49 A Y H >X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 3,-1.0 0.940 113.4 39.9 -55.9 -49.1 -23.7 21.0 82.5 50 50 A E H 3X S+ 0 0 94 -4,-2.6 4,-2.5 1,-0.3 3,-0.3 0.916 107.9 62.6 -65.5 -43.1 -24.5 17.3 82.5 51 51 A M H 3< S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.648 119.2 28.2 -56.8 -13.2 -28.2 18.0 82.6 52 52 A N H << S+ 0 0 37 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.547 133.8 25.3-126.3 -13.0 -27.6 19.6 79.2 53 53 A F H < S- 0 0 40 -4,-1.7 -3,-0.2 -3,-0.3 -2,-0.2 0.352 92.4-121.4-133.9 3.1 -24.7 17.9 77.5 54 54 A G S < S+ 0 0 61 -4,-2.5 2,-0.2 -5,-0.3 -4,-0.2 0.099 81.8 90.5 79.2 -25.6 -24.6 14.4 79.1 55 55 A E - 0 0 76 -6,-0.3 -2,-0.3 -5,-0.0 -3,-0.2 -0.658 69.2-132.2-106.9 162.9 -21.0 14.9 80.4 56 56 A K - 0 0 135 -2,-0.2 -18,-0.1 -6,-0.1 -10,-0.1 -0.948 29.3-121.6-113.2 119.6 -19.5 16.1 83.6 57 57 A P - 0 0 4 0, 0.0 -18,-0.3 0, 0.0 2,-0.1 -0.069 33.8 -98.1 -54.4 161.2 -16.7 18.6 83.3 58 58 A E B -f 39 0B 76 -20,-1.9 -18,-1.8 1,-0.1 3,-0.2 -0.447 42.4-105.8 -81.2 155.8 -13.3 17.9 84.9 59 59 A G S S- 0 0 36 1,-0.2 -1,-0.1 -20,-0.1 -18,-0.1 0.229 74.5 -7.8 -69.4-166.6 -12.3 19.2 88.3 60 60 A D > - 0 0 36 -19,-0.2 3,-1.4 1,-0.2 -1,-0.2 0.108 57.4-154.8 -28.4 110.4 -9.9 21.9 89.4 61 61 A I G > S+ 0 0 7 1,-0.3 3,-2.1 -3,-0.2 -1,-0.2 0.870 87.8 70.1 -62.0 -39.7 -8.0 23.0 86.3 62 62 A T G 3 S+ 0 0 67 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.624 104.4 44.0 -57.1 -12.3 -5.0 24.3 88.3 63 63 A Q G < S+ 0 0 153 -3,-1.4 2,-0.4 -4,-0.1 -1,-0.3 -0.088 89.7 102.6-125.1 36.2 -4.3 20.6 89.0 64 64 A V S < S- 0 0 11 -3,-2.1 2,-0.6 -6,-0.1 5,-0.1 -0.969 75.1-119.6-118.1 129.8 -4.8 19.0 85.6 65 65 A N >> - 0 0 79 -2,-0.4 3,-2.6 1,-0.2 4,-0.6 -0.593 16.4-144.9 -73.4 116.1 -1.8 18.1 83.5 66 66 A E G >4 S+ 0 0 40 -2,-0.6 3,-1.4 1,-0.3 -1,-0.2 0.830 99.1 67.4 -46.1 -39.5 -2.1 20.1 80.3 67 67 A K G 34 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.859 95.2 61.3 -50.2 -34.6 -0.6 17.2 78.4 68 68 A T G <4 S+ 0 0 83 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.835 79.7 101.6 -59.8 -39.9 -3.9 15.5 79.4 69 69 A I S << S- 0 0 1 -3,-1.4 3,-0.1 -4,-0.6 -32,-0.1 -0.245 81.3-114.3 -53.3 132.6 -6.0 18.0 77.5 70 70 A P - 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.346 39.7 -89.5 -66.6 148.1 -7.2 16.6 74.1 71 71 A D + 0 0 114 -35,-0.1 2,-0.3 -2,-0.0 41,-0.1 -0.292 58.9 170.6 -58.5 147.4 -5.9 18.2 70.9 72 72 A H - 0 0 11 39,-0.3 42,-0.3 1,-0.1 -58,-0.2 -0.991 40.7-143.6-158.6 154.8 -8.1 21.1 69.8 73 73 A D S S+ 0 0 28 -60,-3.2 42,-2.9 -2,-0.3 41,-1.0 0.823 90.0 35.7 -90.3 -35.6 -8.2 24.0 67.4 74 74 A I E -bc 14 115A 1 -61,-1.5 -59,-2.2 40,-0.2 2,-0.6 -0.975 65.3-155.9-126.2 130.6 -10.0 26.5 69.6 75 75 A L E -bc 15 116A 0 40,-2.8 42,-3.7 -2,-0.4 2,-0.4 -0.906 13.5-161.1-104.4 123.2 -9.6 27.1 73.3 76 76 A C E +bc 16 117A 0 -61,-2.2 -59,-2.1 -2,-0.6 2,-0.3 -0.876 18.0 161.3-106.4 134.8 -12.6 28.8 75.0 77 77 A A E +bc 17 118A 0 40,-2.2 42,-1.9 -2,-0.4 2,-0.6 -0.883 26.5 176.1-158.1 120.9 -12.3 30.5 78.3 78 78 A G - 0 0 7 -61,-0.6 42,-0.1 -2,-0.3 3,-0.1 -0.780 38.9-165.2-117.0 76.0 -14.4 33.0 80.2 79 79 A F - 0 0 9 -2,-0.6 -2,-0.1 40,-0.2 19,-0.0 -0.097 29.9 -63.1 -65.5 165.3 -12.2 32.8 83.3 80 80 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 -0.048 43.1-178.5 -47.3 144.7 -13.1 34.1 86.8 81 81 A C >> + 0 0 33 -3,-0.1 3,-2.4 2,-0.1 4,-2.0 0.350 53.6 102.2-130.5 2.7 -13.6 37.8 87.2 82 82 A Q T 34 S+ 0 0 36 1,-0.3 7,-0.2 2,-0.2 9,-0.2 0.900 86.6 57.3 -55.4 -34.4 -14.3 38.4 90.9 83 83 A A T 34 S+ 0 0 0 14,-0.3 9,-1.8 1,-0.2 -1,-0.3 0.460 118.3 28.2 -75.1 -1.8 -10.7 39.6 91.0 84 84 A F T <4 S+ 0 0 1 -3,-2.4 -2,-0.2 7,-0.1 -1,-0.2 0.483 87.4 118.2-135.8 -8.2 -11.2 42.3 88.3 85 85 A S ><> - 0 0 26 -4,-2.0 3,-0.7 1,-0.1 5,-0.6 -0.231 67.8-125.8 -68.1 153.7 -14.8 43.5 88.4 86 86 A I T 3 5S+ 0 0 142 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.741 113.1 56.6 -65.5 -22.0 -15.9 47.0 89.1 87 87 A S T 3 5S+ 0 0 68 2,-0.1 -1,-0.2 3,-0.0 -5,-0.1 0.689 102.6 60.3 -85.2 -21.1 -18.1 45.4 91.8 88 88 A G T < 5S- 0 0 36 -3,-0.7 2,-0.6 -7,-0.2 -5,-0.1 -0.093 100.7 -84.6 -95.6-164.3 -15.3 43.6 93.7 89 89 A K T 5 - 0 0 153 -7,-0.2 2,-0.4 3,-0.0 -3,-0.1 -0.450 52.0-132.3-101.8 56.3 -12.2 44.5 95.6 90 90 A Q < + 0 0 91 -2,-0.6 -7,-0.1 -5,-0.6 -6,-0.1 0.317 50.6 151.2 -3.9 53.1 -10.0 44.5 92.5 91 91 A K >> - 0 0 117 -2,-0.4 3,-1.7 1,-0.2 4,-0.7 0.351 28.4-174.4 -83.2 10.5 -7.1 42.4 93.9 92 92 A G G >4 - 0 0 1 -9,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.082 65.3 -4.1 37.3-131.3 -6.2 41.2 90.4 93 93 A F G 34 S+ 0 0 43 1,-0.3 -1,-0.3 6,-0.1 5,-0.2 0.677 128.6 68.4 -64.9 -17.5 -3.5 38.5 90.2 94 94 A E G <4 S+ 0 0 171 -3,-1.7 -1,-0.3 -11,-0.1 2,-0.3 0.700 84.2 89.1 -74.5 -18.6 -3.0 38.8 94.0 95 95 A D S X< S- 0 0 13 -3,-1.7 3,-2.3 -4,-0.7 4,-0.3 -0.584 84.4-129.2 -79.7 139.0 -6.5 37.3 94.4 96 96 A S G > S+ 0 0 101 1,-0.3 3,-0.9 -2,-0.3 4,-0.2 0.919 112.5 46.5 -53.4 -45.2 -6.6 33.5 94.7 97 97 A R G 3 S+ 0 0 102 1,-0.2 -14,-0.3 2,-0.1 -1,-0.3 0.216 101.3 74.5 -82.7 17.1 -9.3 33.4 92.0 98 98 A G G < S+ 0 0 2 -3,-2.3 3,-0.3 -5,-0.2 -1,-0.2 0.471 79.1 64.9-109.5 -0.7 -7.3 35.8 89.9 99 99 A T X> + 0 0 57 -3,-0.9 3,-1.9 -4,-0.3 4,-0.6 0.496 66.1 104.2 -99.3 -4.6 -4.4 33.7 88.5 100 100 A L H >> + 0 0 15 1,-0.3 4,-1.5 2,-0.2 3,-0.9 0.735 69.5 68.4 -48.4 -30.4 -6.6 31.3 86.4 101 101 A F H 3> S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.3 3,-0.3 0.910 94.2 56.5 -59.6 -39.4 -5.5 33.1 83.2 102 102 A F H <> S+ 0 0 71 -3,-1.9 4,-1.3 1,-0.3 -1,-0.3 0.746 100.1 59.2 -65.9 -19.4 -2.0 31.8 83.7 103 103 A D H - 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