==== 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-NOV-07 2ZCJ . COMPND 2 MOLECULE: MODIFICATION METHYLASE HHAI; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS PARAHAEMOLYTICUS; . AUTHOR F.K.SHIEH,N.O.REICH . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 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 . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 21.3 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 1 2 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 2 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 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 70 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 172.2 -29.4 32.7 70.5 2 2 A I - 0 0 65 306,-0.1 2,-0.3 307,-0.1 28,-0.0 -0.676 360.0-111.7-107.3 157.2 -29.3 32.9 66.7 3 3 A E - 0 0 146 -2,-0.2 2,-0.4 1,-0.0 27,-0.0 -0.615 27.1-159.8 -83.2 145.8 -29.7 30.4 63.9 4 4 A I + 0 0 20 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.850 20.0 172.5-134.5 100.8 -26.7 29.7 61.8 5 5 A K S S+ 0 0 162 -2,-0.4 2,-0.9 1,-0.2 -1,-0.1 0.889 73.9 61.7 -71.2 -40.7 -27.1 28.2 58.3 6 6 A D S S- 0 0 105 1,-0.1 2,-2.0 3,-0.0 -1,-0.2 -0.787 75.0-153.8 -95.2 105.7 -23.4 28.5 57.4 7 7 A K > + 0 0 95 -2,-0.9 3,-2.3 1,-0.2 24,-0.1 -0.465 17.8 175.8 -77.6 74.0 -21.2 26.5 59.7 8 8 A Q T 3 S+ 0 0 34 -2,-2.0 -1,-0.2 1,-0.3 24,-0.1 0.796 79.0 51.6 -48.7 -31.2 -17.9 28.3 59.6 9 9 A L T > S+ 0 0 1 22,-2.3 3,-1.8 19,-0.2 -1,-0.3 0.184 72.5 139.3 -98.3 20.0 -16.5 26.0 62.3 10 10 A T T < S+ 0 0 97 -3,-2.3 23,-0.2 21,-0.3 3,-0.1 -0.394 75.2 18.4 -60.9 135.5 -17.4 22.6 60.7 11 11 A G T 3 S+ 0 0 65 21,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.213 98.3 116.5 88.8 -16.6 -14.5 20.2 61.3 12 12 A L < - 0 0 32 -3,-1.8 22,-2.2 20,-0.1 2,-0.3 -0.670 53.5-145.4 -91.8 144.5 -12.9 22.2 64.1 13 13 A R E -a 34 0A 90 -2,-0.3 60,-2.3 20,-0.2 61,-1.7 -0.825 17.3-168.2-106.3 145.2 -12.5 20.9 67.6 14 14 A F E -ab 35 74A 0 20,-2.8 22,-2.8 -2,-0.3 23,-0.9 -0.968 18.3-137.6-139.1 154.0 -12.8 23.0 70.7 15 15 A I E -ab 37 75A 0 59,-1.8 61,-2.1 -2,-0.3 2,-0.7 -0.862 13.5-149.4-105.4 139.5 -12.1 22.9 74.5 16 16 A D E > +ab 38 76A 0 21,-3.2 23,-2.6 -2,-0.4 3,-0.6 -0.843 22.5 179.0-112.9 93.1 -14.6 24.4 76.9 17 17 A L E 3 S+ b 0 77A 0 59,-1.9 61,-0.6 -2,-0.7 23,-0.1 -0.621 70.6 12.6 -92.9 155.7 -12.7 25.7 80.0 18 18 A F T 3 S+ 0 0 1 21,-0.3 -1,-0.2 -2,-0.2 22,-0.2 0.884 86.7 174.1 45.0 40.3 -14.4 27.4 82.9 19 19 A A X> + 0 0 0 20,-2.4 3,-3.0 -3,-0.6 4,-0.5 0.769 8.0 162.9 -48.6 -42.3 -17.5 26.0 81.1 20 20 A G T 34 S- 0 0 3 1,-0.3 -1,-0.2 309,-0.3 29,-0.2 -0.352 80.6 -3.8 56.4-115.3 -20.2 26.9 83.7 21 21 A L T 34 S- 0 0 1 280,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.570 101.9-110.2 -83.9 -11.6 -23.4 26.7 81.8 22 22 A G T <> + 0 0 0 -3,-3.0 4,-2.6 -4,-0.1 5,-0.2 0.740 63.4 152.4 87.9 24.2 -21.7 25.9 78.5 23 23 A G H X S+ 0 0 0 306,-0.7 4,-1.9 -4,-0.5 5,-0.1 0.876 75.8 50.7 -53.7 -39.5 -22.5 29.2 76.8 24 24 A F H > S+ 0 0 0 -5,-0.3 4,-3.1 305,-0.2 5,-0.4 0.924 107.3 52.4 -66.1 -42.6 -19.4 28.7 74.7 25 25 A R H > S+ 0 0 13 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.958 108.9 50.0 -58.4 -48.6 -20.3 25.2 73.7 26 26 A L H X S+ 0 0 25 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.897 113.7 47.6 -54.0 -42.5 -23.7 26.4 72.5 27 27 A A H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.2 -2,-0.2 0.942 118.4 36.4 -67.4 -51.0 -22.0 29.2 70.5 28 28 A L H ><>S+ 0 0 0 -4,-3.1 5,-1.9 1,-0.2 3,-1.8 0.929 114.8 54.8 -71.5 -41.9 -19.4 27.1 68.8 29 29 A E H ><5S+ 0 0 75 -4,-3.3 3,-1.3 -5,-0.4 -1,-0.2 0.831 102.6 58.1 -60.5 -29.7 -21.6 24.0 68.3 30 30 A S T 3<5S+ 0 0 19 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.709 106.2 51.6 -71.7 -16.3 -24.1 26.2 66.6 31 31 A C T < 5S- 0 0 0 -3,-1.8 -22,-2.3 -4,-0.4 -21,-0.3 0.318 127.5 -96.9-100.9 6.9 -21.2 27.0 64.2 32 32 A G T < 5S+ 0 0 26 -3,-1.3 -21,-0.7 1,-0.3 -3,-0.2 0.297 78.6 138.3 97.7 -9.0 -20.3 23.4 63.4 33 33 A A < - 0 0 9 -5,-1.9 2,-0.5 -23,-0.2 -1,-0.3 -0.182 46.6-132.4 -66.3 163.6 -17.5 23.1 66.0 34 34 A E E -a 13 0A 108 -22,-2.2 -20,-2.8 -25,-0.2 2,-0.4 -0.971 8.4-134.8-126.4 120.9 -17.1 20.0 68.1 35 35 A C E +a 14 0A 15 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.562 27.6 169.8 -74.0 125.5 -16.5 20.0 71.8 36 36 A V E + 0 0 32 -22,-2.8 2,-0.3 -2,-0.4 -21,-0.2 0.593 65.3 12.6-110.2 -15.6 -13.7 17.6 72.8 37 37 A Y E -a 15 0A 23 -23,-0.9 -21,-3.2 32,-0.1 -1,-0.3 -0.983 58.4-169.3-160.7 147.0 -13.2 18.6 76.4 38 38 A S E -a 16 0A 4 -2,-0.3 20,-1.7 -23,-0.2 2,-0.3 -0.983 2.7-167.2-140.4 151.1 -14.8 20.6 79.1 39 39 A N B +f 58 0B 3 -23,-2.6 -20,-2.4 -2,-0.3 -21,-0.3 -0.977 21.5 143.1-145.4 129.2 -13.8 21.8 82.5 40 40 A E - 0 0 0 18,-1.9 20,-0.1 -2,-0.3 6,-0.0 -0.820 25.2-163.2-163.5 117.4 -15.8 23.3 85.4 41 41 A W + 0 0 133 -2,-0.2 2,-0.4 18,-0.2 19,-0.2 0.551 58.1 104.4 -87.5 -7.0 -15.1 22.6 89.1 42 42 A D > - 0 0 33 1,-0.2 4,-2.6 17,-0.1 5,-0.2 -0.618 64.2-145.3 -77.4 126.6 -18.4 23.9 90.6 43 43 A K H > S+ 0 0 138 -2,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.924 99.0 45.9 -55.5 -47.9 -20.6 20.9 91.6 44 44 A Y H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 111.6 50.6 -64.7 -42.5 -23.8 22.7 90.7 45 45 A A H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.919 108.5 55.3 -61.3 -41.4 -22.5 24.0 87.4 46 46 A Q H X S+ 0 0 24 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.896 105.0 51.0 -58.3 -43.3 -21.4 20.4 86.6 47 47 A E H X S+ 0 0 73 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.902 113.1 44.8 -62.4 -42.7 -24.9 19.0 87.1 48 48 A V H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.900 111.9 52.5 -67.0 -43.5 -26.5 21.6 84.8 49 49 A Y H >X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 3,-1.0 0.949 116.0 40.6 -56.2 -49.3 -23.8 21.1 82.2 50 50 A E H 3X S+ 0 0 89 -4,-2.7 4,-2.6 1,-0.3 3,-0.4 0.929 107.1 61.0 -62.4 -49.6 -24.5 17.4 82.4 51 51 A M H 3< S+ 0 0 69 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.629 120.6 29.7 -54.4 -10.4 -28.2 18.0 82.5 52 52 A N H <4 S+ 0 0 38 -3,-1.0 -2,-0.3 -4,-0.5 -1,-0.2 0.551 132.4 25.9-127.8 -14.7 -27.6 19.6 79.1 53 53 A F H < S- 0 0 39 -4,-1.6 -3,-0.2 -3,-0.4 -2,-0.2 0.386 92.4-121.8-131.7 0.1 -24.6 17.9 77.4 54 54 A G S < S+ 0 0 64 -4,-2.6 2,-0.2 -5,-0.3 -4,-0.2 0.042 83.5 88.5 82.4 -28.7 -24.6 14.4 79.0 55 55 A E - 0 0 70 -6,-0.3 -2,-0.3 -5,-0.0 -3,-0.2 -0.650 69.8-134.1-104.2 160.6 -21.1 14.8 80.3 56 56 A K - 0 0 112 -2,-0.2 -18,-0.1 -6,-0.1 -9,-0.1 -0.934 30.2-118.2-110.2 131.1 -19.7 16.2 83.5 57 57 A P - 0 0 0 0, 0.0 -18,-0.3 0, 0.0 2,-0.1 -0.231 31.7-100.5 -66.1 161.3 -16.8 18.6 83.3 58 58 A E B -f 39 0B 81 -20,-1.7 -18,-1.9 1,-0.1 3,-0.1 -0.458 42.6-111.5 -78.5 154.5 -13.4 17.8 84.9 59 59 A G S S+ 0 0 30 1,-0.2 -18,-0.2 -20,-0.2 -1,-0.1 0.271 72.1 0.9 -72.8-161.7 -12.5 19.4 88.2 60 60 A D > - 0 0 37 -19,-0.2 3,-1.3 1,-0.1 -1,-0.2 0.153 56.7-158.4 -27.0 108.3 -10.0 22.0 89.4 61 61 A I G > S+ 0 0 8 1,-0.3 3,-2.8 2,-0.2 -1,-0.1 0.874 85.7 70.0 -63.3 -40.6 -8.1 23.1 86.3 62 62 A T G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.560 106.4 42.6 -58.6 -4.5 -5.1 24.4 88.2 63 63 A Q G < S+ 0 0 155 -3,-1.3 2,-0.4 -4,-0.1 -1,-0.3 0.177 89.8 103.9-127.6 19.1 -4.4 20.7 88.9 64 64 A V S < S- 0 0 14 -3,-2.8 2,-0.7 -5,-0.1 3,-0.1 -0.800 76.5-115.4 -99.3 142.1 -5.1 19.1 85.6 65 65 A N >> - 0 0 88 -2,-0.4 3,-3.4 1,-0.2 4,-0.7 -0.692 15.8-148.7 -81.2 114.3 -2.1 18.1 83.4 66 66 A E G >4 S+ 0 0 45 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.852 99.7 63.4 -45.7 -41.9 -2.2 20.2 80.3 67 67 A K G 34 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.640 97.2 61.1 -59.5 -14.9 -0.6 17.3 78.4 68 68 A T G <4 S+ 0 0 84 -3,-3.4 -1,-0.3 2,-0.1 -2,-0.2 0.766 79.1 101.5 -82.1 -32.5 -3.9 15.6 79.3 69 69 A I S << S- 0 0 2 -3,-1.4 3,-0.1 -4,-0.7 -32,-0.1 -0.334 81.1-113.9 -59.4 133.1 -6.1 18.0 77.4 70 70 A P - 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.253 41.4 -87.7 -63.1 154.8 -7.2 16.6 74.0 71 71 A D + 0 0 113 -35,-0.1 2,-0.3 2,-0.0 41,-0.1 -0.394 59.3 174.3 -64.4 146.0 -5.8 18.3 70.9 72 72 A H - 0 0 10 39,-0.3 42,-0.3 -3,-0.1 -58,-0.2 -0.992 39.2-145.1-154.2 157.5 -8.0 21.1 69.8 73 73 A D S S+ 0 0 27 -60,-2.3 42,-2.1 -2,-0.3 2,-0.4 0.739 89.6 33.9 -95.7 -27.5 -8.3 24.0 67.3 74 74 A I E -bc 14 115A 1 -61,-1.7 -59,-1.8 40,-0.2 2,-0.6 -0.969 65.4-155.8-135.9 121.1 -10.0 26.6 69.5 75 75 A L E -bc 15 116A 0 40,-2.8 42,-3.9 -2,-0.4 2,-0.4 -0.837 14.5-162.6 -95.8 123.9 -9.6 27.1 73.2 76 76 A C E +bc 16 117A 0 -61,-2.1 -59,-1.9 -2,-0.6 2,-0.3 -0.857 16.5 162.8-106.5 140.8 -12.6 28.8 74.8 77 77 A A E +bc 17 118A 0 40,-1.9 42,-2.0 -2,-0.4 2,-0.7 -0.821 26.4 179.1-163.8 118.9 -12.4 30.5 78.2 78 78 A G E - c 0 119A 0 -61,-0.6 42,-0.2 -2,-0.3 3,-0.1 -0.871 36.8-166.0-114.0 86.5 -14.5 32.9 80.1 79 79 A F - 0 0 6 40,-0.7 -2,-0.1 -2,-0.7 19,-0.0 -0.249 29.5 -62.4 -77.0 166.8 -12.3 32.9 83.2 80 80 A P - 0 0 3 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 0.010 39.5-175.2 -45.0 146.6 -13.2 34.3 86.7 81 81 A C >> + 0 0 33 -3,-0.1 3,-3.2 39,-0.1 4,-2.5 0.517 57.6 97.2-124.4 -12.5 -13.9 38.0 87.1 82 82 A Q T 34 S+ 0 0 39 1,-0.3 8,-0.6 2,-0.2 7,-0.3 0.879 87.6 54.1 -46.7 -41.5 -14.4 38.6 90.9 83 83 A A T 34 S+ 0 0 2 14,-0.3 9,-2.6 1,-0.2 -1,-0.3 0.447 123.0 26.0 -74.6 0.1 -10.7 39.7 91.1 84 84 A F T <4 S+ 0 0 1 -3,-3.2 -2,-0.2 7,-0.1 -1,-0.2 0.477 87.2 119.6-138.3 -12.0 -11.3 42.3 88.3 85 85 A S >< - 0 0 24 -4,-2.5 3,-1.1 1,-0.1 5,-0.3 -0.187 67.9-125.2 -62.2 152.8 -14.9 43.4 88.3 86 86 A I T 3 S+ 0 0 137 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.767 114.3 56.6 -64.9 -24.1 -15.9 47.0 88.9 87 87 A S T 3 S+ 0 0 68 2,-0.0 -1,-0.2 3,-0.0 -5,-0.1 0.573 104.1 62.4 -85.1 -10.7 -18.1 45.5 91.6 88 88 A G S < S- 0 0 37 -3,-1.1 -5,-0.1 -7,-0.2 -6,-0.1 -0.127 99.5 -85.4-103.2-161.1 -15.3 43.8 93.5 89 89 A K - 0 0 174 -7,-0.3 -6,-0.1 -2,-0.1 -3,-0.1 0.491 49.6-138.2 -84.2 -7.4 -12.1 44.4 95.4 90 90 A Q + 0 0 82 -8,-0.6 -7,-0.1 -5,-0.3 -6,-0.1 0.829 46.9 154.0 53.1 36.8 -10.0 44.5 92.2 91 91 A K > - 0 0 110 -9,-0.2 3,-1.8 1,-0.2 4,-0.2 0.606 28.4-174.6 -70.6 -10.0 -7.2 42.5 93.9 92 92 A G G > - 0 0 0 -9,-2.6 3,-2.7 1,-0.3 6,-0.2 -0.095 61.8 -5.0 51.8-145.3 -6.3 41.3 90.4 93 93 A F G 3 S+ 0 0 48 1,-0.3 -1,-0.3 5,-0.1 5,-0.1 0.604 129.1 68.1 -55.7 -13.2 -3.5 38.6 90.2 94 94 A E G < S+ 0 0 162 -3,-1.8 2,-0.3 -11,-0.1 -1,-0.3 0.707 85.0 83.7 -79.7 -20.4 -3.0 39.0 93.9 95 95 A D S X S- 0 0 26 -3,-2.7 3,-2.2 -4,-0.2 4,-0.3 -0.643 85.6-130.7 -81.1 137.2 -6.5 37.4 94.5 96 96 A S G > S+ 0 0 100 -2,-0.3 3,-0.8 1,-0.3 -1,-0.1 0.839 109.9 52.2 -59.4 -33.2 -6.4 33.6 94.4 97 97 A R G 3 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.1 -14,-0.3 0.327 100.5 69.8 -84.4 10.8 -9.3 33.5 91.9 98 98 A G G < S+ 0 0 1 -3,-2.2 3,-0.4 -6,-0.2 -1,-0.2 0.522 81.4 65.5-106.3 -4.8 -7.3 35.9 89.7 99 99 A T X> + 0 0 55 -3,-0.8 3,-1.3 -4,-0.3 4,-0.7 0.390 65.7 105.5 -98.0 3.1 -4.4 33.8 88.4 100 100 A L H >> + 0 0 14 1,-0.3 4,-1.6 2,-0.2 3,-0.7 0.780 67.1 71.1 -53.3 -31.0 -6.5 31.4 86.3 101 101 A F H 3> S+ 0 0 0 -3,-0.4 4,-2.8 1,-0.3 3,-0.3 0.916 93.9 53.3 -54.7 -43.1 -5.4 33.1 83.1 102 102 A F H <> S+ 0 0 75 -3,-1.3 4,-2.3 1,-0.3 -1,-0.3 0.805 101.1 60.6 -64.5 -25.5 -1.9 31.7 83.5 103 103 A D H - 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