==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-05 2C7O . COMPND 2 MOLECULE: MODIFICATION METHYLASE HHAI; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS HAEMOLYTICUS; . AUTHOR D.DAUJOTYTE,S.GRAZULIS . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 1 1 0 1 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 1 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 PARALLEL BRIDGES PER LADDER . 2 1 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 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 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 73 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 164.8 -28.4 31.7 69.3 2 2 A I - 0 0 53 306,-0.0 2,-0.3 1,-0.0 28,-0.0 -0.620 360.0 -99.2-108.3 169.7 -28.8 31.8 65.6 3 3 A E - 0 0 164 -2,-0.2 2,-0.6 28,-0.0 28,-0.0 -0.647 28.5-154.3 -84.8 139.8 -28.9 29.2 62.8 4 4 A I + 0 0 11 -2,-0.3 3,-0.1 26,-0.2 -1,-0.0 -0.922 14.3 178.6-120.4 104.3 -25.6 28.7 60.9 5 5 A K S S+ 0 0 97 -2,-0.6 2,-0.9 1,-0.2 -1,-0.2 0.938 73.4 54.2 -68.9 -51.2 -26.2 27.4 57.3 6 6 A D S S- 0 0 99 1,-0.1 2,-1.9 2,-0.0 -1,-0.2 -0.781 80.3-147.5 -91.3 105.9 -22.6 27.4 56.2 7 7 A K > + 0 0 97 -2,-0.9 3,-1.6 1,-0.2 24,-0.1 -0.509 21.0 178.1 -74.6 82.6 -20.6 25.3 58.7 8 8 A Q T 3 S+ 0 0 37 -2,-1.9 -1,-0.2 1,-0.3 24,-0.1 0.722 75.9 49.1 -58.6 -26.1 -17.3 27.2 58.4 9 9 A L T > S+ 0 0 1 22,-2.2 3,-2.2 19,-0.2 -1,-0.3 0.251 74.4 143.2-102.6 13.9 -15.6 25.1 61.1 10 10 A T T < S+ 0 0 94 -3,-1.6 23,-0.2 21,-0.5 3,-0.1 -0.259 72.5 18.6 -54.7 135.5 -16.5 21.6 59.9 11 11 A G T 3 S+ 0 0 66 21,-0.8 2,-0.4 1,-0.3 -1,-0.3 0.408 98.2 119.9 84.1 -2.5 -13.7 19.2 60.4 12 12 A L < - 0 0 20 -3,-2.2 22,-3.0 20,-0.2 2,-0.3 -0.778 52.0-146.7-100.0 141.4 -12.0 21.3 63.0 13 13 A R E -a 34 0A 84 -2,-0.4 60,-3.0 20,-0.2 61,-1.9 -0.821 19.0-180.0-104.8 143.5 -11.4 20.2 66.6 14 14 A F E -ab 35 74A 0 20,-2.4 22,-2.6 -2,-0.3 23,-0.7 -0.952 20.6-134.3-140.1 159.2 -11.5 22.5 69.6 15 15 A I E -ab 37 75A 0 59,-1.8 61,-1.9 -2,-0.3 2,-0.7 -0.887 13.3-140.2-113.9 150.1 -11.0 22.4 73.4 16 16 A D E > -ab 38 76A 0 21,-3.2 23,-2.7 -2,-0.3 3,-0.7 -0.792 24.6-176.4-112.1 86.3 -13.3 24.1 75.9 17 17 A L E 3 S+ab 39 77A 1 59,-2.1 61,-0.8 -2,-0.7 23,-0.1 -0.571 73.2 10.6 -84.8 147.9 -11.2 25.5 78.8 18 18 A F T 3 S- 0 0 1 21,-0.6 -1,-0.3 -2,-0.2 60,-0.2 0.931 88.7-179.5 49.8 45.0 -12.9 27.2 81.8 19 19 A A X> + 0 0 0 20,-2.5 3,-2.7 -3,-0.7 4,-0.5 0.764 11.6 164.7 -47.7 -44.1 -16.0 25.6 80.2 20 20 A G T 34 S- 0 0 3 309,-0.4 -1,-0.2 1,-0.3 29,-0.1 -0.393 80.7 -9.9 58.8-123.7 -18.6 26.8 82.6 21 21 A L T 34 S- 0 0 0 280,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.590 101.6-108.9 -80.1 -13.5 -22.0 26.2 80.8 22 22 A G T <> + 0 0 0 -3,-2.7 4,-2.3 -4,-0.2 5,-0.2 0.791 62.4 155.1 89.6 30.1 -20.2 25.5 77.6 23 23 A G H X S+ 0 0 0 306,-1.3 4,-2.4 -4,-0.5 5,-0.2 0.888 75.6 50.8 -56.4 -42.6 -21.1 28.6 75.7 24 24 A F H > S+ 0 0 0 305,-0.3 4,-2.9 -5,-0.3 5,-0.3 0.868 108.7 54.1 -63.6 -34.6 -18.0 28.4 73.5 25 25 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.927 108.1 47.6 -65.8 -45.3 -19.0 24.8 72.7 26 26 A L H X S+ 0 0 25 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.950 115.3 47.0 -59.9 -47.7 -22.5 25.8 71.6 27 27 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.942 116.8 40.4 -60.6 -52.6 -21.1 28.5 69.4 28 28 A L H ><>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 3,-0.7 0.863 113.9 52.3 -68.9 -35.4 -18.3 26.5 67.7 29 29 A E H ><5S+ 0 0 70 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 0.856 102.3 60.7 -67.9 -32.1 -20.4 23.3 67.3 30 30 A S H 3<5S+ 0 0 17 -4,-1.8 -1,-0.2 -5,-0.3 -26,-0.2 0.757 105.2 49.7 -65.4 -21.5 -23.1 25.4 65.6 31 31 A C T <<5S- 0 0 0 -3,-0.7 -22,-2.2 -4,-0.6 -21,-0.5 0.392 130.5 -96.7 -95.1 0.8 -20.4 26.2 63.0 32 32 A G T < 5S+ 0 0 25 -3,-1.7 -21,-0.8 1,-0.3 -3,-0.2 0.396 76.3 139.3 103.0 -3.4 -19.5 22.6 62.6 33 33 A A < - 0 0 9 -5,-2.3 2,-0.5 -23,-0.2 -1,-0.3 -0.286 45.9-129.6 -74.4 161.1 -16.5 22.2 64.9 34 34 A E E -a 13 0A 110 -22,-3.0 -20,-2.4 -25,-0.2 2,-0.4 -0.947 10.6-137.7-116.7 123.9 -15.9 19.2 67.2 35 35 A C E +a 14 0A 16 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.649 25.4 171.2 -80.1 128.4 -15.1 19.5 70.9 36 36 A V E + 0 0 32 -22,-2.6 2,-0.3 -2,-0.4 -21,-0.2 0.373 64.2 16.4-117.3 0.7 -12.4 17.1 71.9 37 37 A Y E -a 15 0A 23 -23,-0.7 -21,-3.2 32,-0.1 2,-0.3 -0.911 56.2-171.2-171.2 143.4 -11.7 18.3 75.5 38 38 A S E -a 16 0A 4 -2,-0.3 20,-2.4 -23,-0.2 2,-0.4 -0.994 4.0-166.3-141.2 144.9 -13.3 20.4 78.2 39 39 A N E +ac 17 58A 2 -23,-2.7 -20,-2.5 -2,-0.3 -21,-0.6 -0.991 22.2 142.9-137.7 128.1 -12.0 21.6 81.5 40 40 A E - 0 0 0 18,-2.3 20,-0.1 -2,-0.4 -2,-0.0 -0.864 25.0-165.6-163.0 124.0 -14.0 23.1 84.4 41 41 A W + 0 0 137 -2,-0.3 2,-0.4 18,-0.2 19,-0.1 0.543 56.2 105.0 -95.1 -7.4 -13.4 22.6 88.1 42 42 A D > - 0 0 37 1,-0.1 4,-2.6 17,-0.1 5,-0.2 -0.630 65.3-141.8 -79.2 126.9 -16.6 23.9 89.7 43 43 A K H > S+ 0 0 118 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.894 98.8 42.1 -50.8 -51.5 -18.7 21.0 90.9 44 44 A Y H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.848 112.8 52.9 -69.6 -35.0 -22.1 22.5 89.8 45 45 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 108.2 52.1 -66.9 -38.9 -20.8 23.8 86.5 46 46 A Q H X S+ 0 0 25 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.893 108.5 52.3 -63.0 -38.2 -19.5 20.3 85.8 47 47 A E H X S+ 0 0 67 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.953 112.7 41.7 -62.9 -51.5 -23.0 19.0 86.6 48 48 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.857 113.5 54.5 -66.4 -33.1 -24.8 21.3 84.2 49 49 A Y H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.4 0.940 111.5 44.1 -64.3 -45.2 -22.1 20.8 81.6 50 50 A E H X S+ 0 0 97 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.877 108.1 59.2 -64.8 -38.3 -22.7 17.0 81.8 51 51 A M H < S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 118.4 30.8 -58.7 -34.6 -26.4 17.5 81.8 52 52 A N H < S+ 0 0 38 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.721 135.0 23.7-100.0 -26.4 -26.1 19.3 78.4 53 53 A F H < S- 0 0 38 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.502 95.3-123.9-118.3 -9.7 -23.1 17.6 76.7 54 54 A G S < S+ 0 0 58 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.694 76.9 95.6 75.2 20.2 -23.0 14.3 78.5 55 55 A E - 0 0 59 -6,-0.3 -2,-0.2 -9,-0.1 -1,-0.2 -0.988 69.6-129.1-141.6 148.6 -19.4 14.6 79.7 56 56 A K - 0 0 138 -2,-0.3 -18,-0.1 -6,-0.1 -9,-0.1 -0.881 32.4-126.7 -98.0 119.2 -17.8 15.7 82.9 57 57 A P - 0 0 2 0, 0.0 -18,-0.3 0, 0.0 2,-0.1 -0.248 30.4-100.1 -61.7 154.2 -15.1 18.3 82.3 58 58 A E B -c 39 0A 85 -20,-2.4 -18,-2.3 1,-0.1 3,-0.1 -0.421 44.6-115.5 -72.7 153.2 -11.6 17.6 83.7 59 59 A G S S+ 0 0 30 1,-0.2 -18,-0.2 -20,-0.2 4,-0.1 -0.004 70.2 5.0 -81.7-171.7 -10.8 19.5 86.9 60 60 A D > - 0 0 49 1,-0.2 3,-1.9 -19,-0.1 4,-0.3 0.456 57.1-153.6 -6.2 100.9 -8.2 22.1 88.0 61 61 A I G > S+ 0 0 5 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.726 89.7 68.3 -60.4 -24.4 -6.4 23.1 84.9 62 62 A T G 3 S+ 0 0 55 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.689 102.8 45.8 -71.6 -15.2 -3.3 24.1 86.9 63 63 A Q G < S+ 0 0 152 -3,-1.9 2,-0.5 -4,-0.1 -1,-0.2 0.365 90.8 102.8-105.9 2.6 -2.8 20.5 87.8 64 64 A V S < S- 0 0 9 -3,-1.0 2,-0.6 -4,-0.3 5,-0.1 -0.755 73.6-127.9 -91.5 128.1 -3.3 19.1 84.2 65 65 A N > - 0 0 83 -2,-0.5 3,-2.6 1,-0.2 4,-0.4 -0.645 15.4-143.0 -74.7 116.6 -0.2 18.2 82.2 66 66 A E G > S+ 0 0 41 -2,-0.6 3,-1.1 1,-0.3 -1,-0.2 0.735 97.0 67.4 -53.4 -25.0 -0.6 20.1 78.9 67 67 A K G 3 S+ 0 0 114 1,-0.2 -1,-0.3 43,-0.0 -2,-0.0 0.746 94.8 58.2 -68.8 -20.4 0.9 17.1 77.1 68 68 A T G < S+ 0 0 88 -3,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.574 80.9 103.9 -85.1 -10.9 -2.2 15.1 78.0 69 69 A I S < S- 0 0 1 -3,-1.1 3,-0.1 -4,-0.4 -32,-0.1 -0.584 81.9-108.2 -75.4 130.4 -4.6 17.5 76.3 70 70 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.131 38.8 -93.3 -54.9 151.2 -5.8 16.2 72.9 71 71 A D + 0 0 113 -3,-0.1 2,-0.3 -35,-0.0 41,-0.1 -0.402 57.4 170.6 -65.1 145.9 -4.6 17.8 69.7 72 72 A H - 0 0 12 39,-0.3 42,-0.2 -3,-0.1 -58,-0.2 -0.973 41.3-139.6-154.4 164.5 -6.9 20.5 68.5 73 73 A D S S+ 0 0 33 -60,-3.0 42,-2.8 -2,-0.3 41,-0.6 0.750 90.4 33.9 -98.5 -31.2 -7.3 23.3 66.0 74 74 A I E -bd 14 115A 2 -61,-1.9 -59,-1.8 40,-0.2 2,-0.5 -0.991 64.5-156.1-133.1 128.2 -8.9 26.0 68.2 75 75 A L E -bd 15 116A 0 40,-2.7 42,-3.3 -2,-0.4 2,-0.4 -0.898 14.7-161.5-102.7 125.4 -8.4 26.6 71.9 76 76 A C E +bd 16 117A 0 -61,-1.9 -59,-2.1 -2,-0.5 2,-0.3 -0.893 16.4 164.0-108.9 137.6 -11.3 28.4 73.6 77 77 A A E +bd 17 118A 0 40,-2.3 42,-1.9 -2,-0.4 2,-1.0 -0.769 25.5 179.3-159.9 109.7 -11.0 30.2 76.9 78 78 A G E - d 0 119A 0 -61,-0.8 42,-0.2 -2,-0.3 3,-0.1 -0.865 40.2-163.0-101.3 90.3 -13.2 32.7 78.7 79 79 A F - 0 0 5 -2,-1.0 -2,-0.1 40,-0.7 19,-0.0 -0.275 28.2 -63.7 -80.0 164.6 -10.9 32.8 81.7 80 80 A P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 -0.061 44.5-179.5 -44.5 140.0 -11.6 34.2 85.2 81 81 A C >> + 0 0 29 -3,-0.1 4,-2.5 2,-0.1 3,-2.5 0.465 53.4 99.6-122.9 -8.0 -12.4 37.9 85.4 82 82 A Q T 34 S+ 0 0 40 1,-0.3 8,-0.6 2,-0.2 7,-0.3 0.873 87.8 51.9 -48.2 -40.6 -12.9 38.6 89.1 83 83 A A T 34 S+ 0 0 1 14,-0.2 9,-2.6 1,-0.2 -1,-0.3 0.504 120.3 32.0 -75.7 -6.6 -9.3 40.0 89.2 84 84 A F T <4 S+ 0 0 0 -3,-2.5 -2,-0.2 7,-0.1 -1,-0.2 0.529 89.4 115.0-125.1 -14.5 -9.8 42.3 86.2 85 85 A S >< - 0 0 24 -4,-2.5 3,-1.3 1,-0.1 5,-0.3 -0.250 67.6-131.6 -63.5 145.5 -13.5 43.3 86.4 86 86 A I T 3 S+ 0 0 135 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.710 109.3 60.9 -67.1 -18.9 -14.4 46.9 87.1 87 87 A S T 3 S+ 0 0 69 2,-0.0 -1,-0.2 3,-0.0 2,-0.1 0.611 104.7 55.0 -83.7 -13.9 -16.8 45.5 89.7 88 88 A G S < S- 0 0 38 -3,-1.3 -5,-0.1 -7,-0.2 -6,-0.1 -0.117 102.6 -81.1-105.0-158.6 -13.9 43.9 91.7 89 89 A K - 0 0 179 -7,-0.3 -6,-0.1 -2,-0.1 -3,-0.1 0.551 50.8-136.4 -85.2 -11.4 -10.6 44.8 93.4 90 90 A Q + 0 0 85 -8,-0.6 -7,-0.1 -5,-0.3 3,-0.1 0.814 49.5 150.0 59.7 36.9 -8.6 44.7 90.3 91 91 A K > + 0 0 99 1,-0.2 3,-1.9 -9,-0.1 4,-0.2 0.655 29.6 179.3 -72.9 -13.0 -5.6 42.8 91.7 92 92 A G G > + 0 0 0 -9,-2.6 3,-1.8 1,-0.3 -1,-0.2 -0.197 62.7 2.6 53.6-129.7 -5.0 41.4 88.2 93 93 A F G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -3,-0.1 5,-0.1 0.664 128.4 64.2 -64.3 -17.1 -2.1 39.0 87.9 94 94 A E G < S+ 0 0 189 -3,-1.9 -1,-0.3 -11,-0.1 2,-0.2 0.604 85.8 93.9 -81.4 -11.3 -1.4 39.3 91.6 95 95 A D S X S- 0 0 15 -3,-1.8 3,-2.0 -4,-0.2 4,-0.3 -0.589 82.9-128.3 -83.2 142.3 -4.7 37.7 92.3 96 96 A S T 3 S+ 0 0 108 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.625 114.6 44.1 -63.4 -13.5 -4.9 33.9 92.9 97 97 A R T 3 S+ 0 0 109 -5,-0.2 -1,-0.3 1,-0.1 3,-0.3 0.250 102.1 71.7-112.5 8.1 -7.6 33.8 90.2 98 98 A G S < S+ 0 0 2 -3,-2.0 3,-0.2 -6,-0.2 -2,-0.2 0.349 81.1 66.2-108.5 7.1 -5.8 36.2 87.9 99 99 A T >> + 0 0 53 -4,-0.3 3,-0.9 1,-0.1 4,-0.5 0.192 63.0 106.3-112.2 17.4 -3.0 34.1 86.5 100 100 A L H >> + 0 0 16 -3,-0.3 4,-1.5 1,-0.2 3,-1.0 0.779 67.9 71.1 -66.0 -26.2 -5.0 31.5 84.6 101 101 A F H 3> S+ 0 0 1 1,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.875 92.5 56.7 -57.8 -36.2 -3.9 33.1 81.3 102 102 A F H <> S+ 0 0 85 -3,-0.9 4,-1.7 1,-0.2 -1,-0.3 0.770 101.9 55.5 -68.3 -22.6 -0.4 31.7 81.9 103 103 A D H - 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