==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 15-JUL-96 2ADM . COMPND 2 MOLECULE: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR G.SCHLUCKEBIER,W.SAENGER . 772 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 15.8 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 . 4 0.5 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 . 80 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 3 0 0 4 0 6 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 3 5 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 . 3 2 8 2 2 0 4 0 2 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 . 6 2 2 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 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 21 A V 0 0 119 0, 0.0 170,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.3 33.0 40.5 14.5 2 22 A E - 0 0 120 1,-0.2 0, 0.0 83,-0.1 0, 0.0 0.995 360.0-135.0 56.6 74.1 32.6 44.1 15.6 3 23 A T - 0 0 10 772,-0.1 -1,-0.2 1,-0.1 5,-0.1 -0.462 22.5-117.0 -61.7 115.7 31.2 43.3 19.1 4 24 A P >> - 0 0 20 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.305 22.0-116.7 -54.9 144.7 28.3 45.6 19.5 5 25 A P H 3> S+ 0 0 54 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.887 113.4 54.1 -49.3 -51.3 28.7 48.1 22.4 6 26 A E H 3> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 194,-0.4 0.800 109.4 50.5 -59.5 -27.1 25.8 46.8 24.5 7 27 A V H <> S+ 0 0 1 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.937 110.4 47.6 -75.4 -46.2 27.4 43.4 24.3 8 28 A V H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.898 112.4 51.3 -61.1 -38.0 30.8 44.6 25.4 9 29 A D H X S+ 0 0 75 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.892 109.1 49.8 -64.5 -43.0 29.1 46.5 28.3 10 30 A F H X S+ 0 0 9 -4,-1.6 4,-0.7 -5,-0.2 3,-0.4 0.952 112.7 46.5 -60.5 -51.5 27.3 43.4 29.3 11 31 A M H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.8 0.910 109.8 54.3 -58.3 -44.5 30.4 41.3 29.3 12 32 A V H 3< S+ 0 0 6 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.828 103.6 56.8 -62.1 -28.7 32.4 44.0 31.2 13 33 A S H 3< S+ 0 0 74 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.642 106.5 48.8 -76.5 -16.1 29.7 43.9 33.9 14 34 A L H << S+ 0 0 24 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.539 97.1 96.9 -95.4 -13.2 30.2 40.2 34.5 15 35 A A < + 0 0 6 -4,-0.8 2,-0.3 -3,-0.4 66,-0.1 -0.410 46.1 169.1 -79.7 154.2 34.0 40.7 34.7 16 36 A E + 0 0 99 -2,-0.1 116,-0.2 64,-0.1 -2,-0.0 -0.968 7.4 173.9-161.9 150.6 36.1 41.1 37.8 17 37 A A - 0 0 19 -2,-0.3 3,-0.1 114,-0.1 2,-0.1 -0.958 36.9-104.3-159.6 142.1 39.8 41.1 38.8 18 38 A P > - 0 0 74 0, 0.0 3,-3.3 0, 0.0 62,-0.1 -0.436 55.4 -83.8 -70.7 149.0 41.6 41.7 42.0 19 39 A R T 3 S+ 0 0 160 1,-0.3 26,-0.2 -2,-0.1 3,-0.1 -0.322 123.5 21.4 -52.7 124.9 43.4 45.1 42.3 20 40 A G T 3 S+ 0 0 53 24,-2.9 -1,-0.3 1,-0.3 25,-0.2 0.231 95.0 143.8 96.9 -12.6 46.7 44.6 40.5 21 41 A G < - 0 0 5 -3,-3.3 25,-2.7 23,-0.3 2,-0.5 -0.084 56.3-107.9 -60.6 156.7 45.4 41.6 38.6 22 42 A R E -a 46 0A 76 23,-0.2 59,-1.8 56,-0.1 58,-1.7 -0.805 30.9-163.8 -90.2 123.2 46.5 40.9 35.0 23 43 A V E -ab 47 81A 0 23,-3.0 25,-3.2 -2,-0.5 2,-0.4 -0.940 9.5-170.0-109.8 127.8 43.8 41.5 32.5 24 44 A L E -ab 48 82A 0 57,-2.2 59,-2.6 -2,-0.5 25,-0.2 -0.949 16.5-169.5-124.2 138.4 44.3 39.9 29.0 25 45 A E E > -a 49 0A 0 23,-1.8 25,-2.0 -2,-0.4 3,-0.7 -0.959 16.8-154.4-126.6 107.2 42.5 40.3 25.8 26 46 A P E 3 S+a 50 0A 1 0, 0.0 59,-0.4 0, 0.0 25,-0.2 -0.602 81.0 15.8 -80.0 143.2 43.5 37.8 23.1 27 47 A A T 3 S+ 0 0 2 23,-2.0 24,-0.2 -2,-0.2 58,-0.1 0.858 87.5 160.8 60.8 37.4 43.1 38.7 19.4 28 48 A C X + 0 0 0 22,-1.2 3,-2.4 -3,-0.7 2,-0.5 0.745 15.4 176.8 -61.1 -41.6 42.7 42.2 20.7 29 49 A A T 3 S- 0 0 9 1,-0.3 29,-1.9 2,-0.1 -1,-0.2 -0.511 84.6 -4.6 65.8-112.9 43.4 44.4 17.6 30 50 A H T 3 S- 0 0 77 -2,-0.5 -1,-0.3 27,-0.2 -2,-0.1 0.505 107.6-108.9 -87.7 -5.2 42.9 47.9 19.1 31 51 A G <> + 0 0 0 -3,-2.4 4,-2.3 28,-0.1 5,-0.2 0.912 47.1 172.7 82.0 51.7 41.7 46.5 22.4 32 52 A P H > S+ 0 0 24 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.804 83.6 41.0 -57.4 -38.5 37.9 47.1 22.8 33 53 A F H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.799 110.7 55.6 -83.2 -32.0 37.6 45.1 26.0 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.979 114.0 42.3 -62.1 -51.8 40.8 46.4 27.6 35 55 A R H X S+ 0 0 80 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.931 114.7 48.8 -58.6 -53.9 39.5 50.0 27.2 36 56 A A H X S+ 0 0 16 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.880 111.3 49.9 -56.9 -42.3 35.9 49.2 28.3 37 57 A F H X>S+ 0 0 0 -4,-2.1 4,-3.5 2,-0.2 5,-0.5 0.903 111.4 48.4 -64.1 -43.8 37.0 47.4 31.4 38 58 A R H X5S+ 0 0 71 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.906 111.3 50.6 -62.0 -44.3 39.4 50.2 32.5 39 59 A E H <5S+ 0 0 71 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.763 120.8 35.2 -64.6 -29.3 36.6 52.7 31.9 40 60 A A H <5S+ 0 0 34 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.776 132.6 22.8 -96.4 -33.2 34.2 50.7 34.0 41 61 A H H <5S- 0 0 75 -4,-3.5 -3,-0.2 1,-0.2 2,-0.2 0.660 107.1-108.2-110.1 -19.6 36.4 49.2 36.7 42 62 A G << - 0 0 23 -4,-1.9 -1,-0.2 -5,-0.5 -2,-0.1 -0.531 26.4 -77.1 120.4 175.1 39.5 51.5 36.9 43 63 A T S S+ 0 0 81 -2,-0.2 2,-2.7 1,-0.2 -1,-0.1 0.556 88.2 104.2 -92.7 -12.6 43.2 51.8 36.2 44 64 A G + 0 0 18 -3,-0.2 -24,-2.9 -6,-0.1 2,-0.3 -0.203 67.7 82.9 -70.4 54.6 44.6 49.7 39.0 45 65 A Y S S- 0 0 44 -2,-2.7 2,-0.7 -26,-0.2 -23,-0.2 -0.939 81.3-109.9-148.5 166.0 45.4 46.6 36.8 46 66 A R E -a 22 0A 72 -25,-2.7 -23,-3.0 -2,-0.3 2,-0.5 -0.901 37.3-157.2-102.3 107.3 48.0 45.2 34.5 47 67 A F E +a 23 0A 4 -2,-0.7 17,-2.8 15,-0.5 2,-0.4 -0.760 14.5 177.8 -91.0 126.9 46.5 45.3 31.0 48 68 A V E -ac 24 64A 0 -25,-3.2 -23,-1.8 -2,-0.5 2,-0.4 -0.970 7.5-170.6-128.9 142.4 47.9 42.9 28.3 49 69 A G E -ac 25 65A 0 15,-2.7 17,-1.7 -2,-0.4 2,-0.5 -0.993 7.1-157.5-135.1 139.0 46.8 42.4 24.7 50 70 A V E +ac 26 66A 1 -25,-2.0 -23,-2.0 -2,-0.4 -22,-1.2 -0.970 19.5 163.4-120.5 121.9 47.9 39.7 22.2 51 71 A E E - c 0 67A 0 15,-2.6 17,-1.8 -2,-0.5 -2,-0.0 -0.972 26.0-162.2-134.7 145.4 47.5 40.2 18.4 52 72 A I S S+ 0 0 84 -2,-0.3 17,-0.1 15,-0.3 -1,-0.1 0.778 76.4 74.8 -97.2 -31.3 49.1 38.3 15.6 53 73 A D >> - 0 0 63 1,-0.1 3,-2.0 15,-0.1 4,-1.7 -0.734 67.3-155.7 -87.1 111.9 48.6 40.9 12.8 54 74 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 13,-0.0 0.642 95.1 57.3 -61.3 -14.5 51.1 43.8 13.3 55 75 A K T 34 S+ 0 0 189 1,-0.1 -2,-0.0 3,-0.0 -3,-0.0 0.518 107.0 46.3 -93.0 -9.4 48.6 46.0 11.4 56 76 A A T <4 S+ 0 0 23 -3,-2.0 2,-0.7 -27,-0.1 -1,-0.1 0.761 83.7 99.4-100.1 -34.4 45.7 45.4 13.8 57 77 A L < + 0 0 47 -4,-1.7 2,-0.3 1,-0.1 -27,-0.2 -0.383 39.7 152.0 -60.4 103.7 47.6 45.9 17.0 58 78 A D + 0 0 111 -29,-1.9 -1,-0.1 -2,-0.7 -3,-0.0 -0.718 17.1 160.1-138.2 79.2 46.6 49.4 18.0 59 79 A L - 0 0 36 -2,-0.3 -28,-0.1 4,-0.1 6,-0.1 -0.774 40.1-107.0-109.0 151.5 46.7 49.7 21.8 60 80 A P > - 0 0 17 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.255 39.1-102.9 -67.4 163.3 47.0 52.7 24.2 61 81 A P T 3 S+ 0 0 139 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.681 118.5 61.4 -60.1 -24.1 50.2 53.4 26.1 62 82 A W T 3 S+ 0 0 75 2,-0.1 -15,-0.5 -16,-0.0 2,-0.4 0.625 94.2 77.0 -79.4 -14.2 48.9 51.9 29.3 63 83 A A S < S- 0 0 13 -3,-1.7 2,-0.8 -17,-0.1 -15,-0.2 -0.809 79.9-130.0-102.4 139.1 48.4 48.5 27.7 64 84 A E E -c 48 0A 88 -17,-2.8 -15,-2.7 -2,-0.4 2,-0.3 -0.769 27.0-153.3 -87.8 107.5 51.2 46.0 27.1 65 85 A G E -c 49 0A 39 -2,-0.8 2,-0.4 -17,-0.2 -15,-0.2 -0.627 10.8-169.5 -84.5 143.7 50.9 44.9 23.4 66 86 A I E -c 50 0A 35 -17,-1.7 -15,-2.6 -2,-0.3 2,-0.9 -0.976 15.6-147.2-139.3 121.0 52.2 41.5 22.3 67 87 A L E +c 51 0A 95 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.3 -0.781 53.0 108.5 -86.9 104.8 52.6 40.2 18.7 68 88 A A S S- 0 0 27 -17,-1.8 2,-1.0 -2,-0.9 -15,-0.1 -0.987 75.8 -92.4-169.6 163.5 52.0 36.5 18.8 69 89 A D >> - 0 0 33 -2,-0.3 3,-2.2 1,-0.2 4,-1.9 -0.777 34.8-153.5 -85.2 103.0 49.7 33.6 17.9 70 90 A F T 34 S+ 0 0 4 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.870 92.1 60.3 -45.2 -43.4 47.6 33.3 21.1 71 91 A L T 34 S+ 0 0 4 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.758 119.7 25.3 -60.0 -26.2 47.1 29.7 20.3 72 92 A L T <4 S+ 0 0 73 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.453 93.5 114.4-117.2 -3.4 50.8 28.9 20.4 73 93 A W < - 0 0 30 -4,-1.9 -5,-0.1 -3,-0.3 -3,-0.0 -0.504 47.2-160.5 -74.5 135.7 52.1 31.7 22.7 74 94 A E - 0 0 157 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.884 11.0-172.3-117.0 94.2 53.6 30.5 26.0 75 95 A P - 0 0 27 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.357 28.8-128.7 -77.9 170.4 53.7 33.4 28.5 76 96 A G S S+ 0 0 87 -2,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.545 85.9 64.8 -95.8 -5.7 55.5 33.0 31.8 77 97 A E - 0 0 43 51,-0.0 2,-0.1 0, 0.0 -1,-0.0 -0.917 70.0-137.4-127.1 143.9 52.5 34.3 33.7 78 98 A A - 0 0 36 -2,-0.4 2,-0.3 1,-0.0 49,-0.2 -0.439 29.4-127.9 -83.0 166.1 48.9 33.2 34.4 79 99 A F E - d 0 127A 0 47,-2.9 49,-2.7 -2,-0.1 52,-0.1 -0.803 13.5-148.8-122.5 161.3 46.1 35.7 34.4 80 100 A D E S+ 0 0 22 -58,-1.7 52,-2.8 1,-0.3 2,-0.3 0.805 87.5 17.0 -91.3 -38.7 43.3 36.8 36.6 81 101 A L E -bd 23 132A 0 -59,-1.8 -57,-2.2 50,-0.2 2,-0.4 -0.997 58.9-168.3-140.5 139.3 40.8 37.8 33.9 82 102 A I E -bd 24 133A 0 50,-1.9 52,-2.4 -2,-0.3 2,-0.3 -0.999 13.4-179.4-130.3 123.0 40.6 37.1 30.2 83 103 A L E + d 0 134A 0 -59,-2.6 2,-0.3 -2,-0.4 52,-0.2 -0.932 20.9 104.4-121.2 149.9 38.2 39.0 28.0 84 104 A G E - d 0 135A 0 50,-1.2 52,-1.2 -2,-0.3 -57,-0.1 -0.923 60.6-107.2 160.1 170.4 37.5 38.8 24.3 85 105 A N - 0 0 1 -59,-0.4 52,-0.1 -2,-0.3 -83,-0.1 -0.950 45.0-146.7-127.0 97.8 35.6 37.8 21.2 86 106 A P - 0 0 1 0, 0.0 30,-0.1 0, 0.0 2,-0.1 -0.344 26.9 -91.4 -69.2 151.7 37.6 34.9 19.7 87 107 A P - 0 0 20 0, 0.0 2,-0.6 0, 0.0 32,-0.2 -0.434 37.3-140.2 -62.3 135.5 37.8 34.4 15.9 88 108 A Y + 0 0 68 27,-0.2 2,-0.3 -2,-0.1 26,-0.0 -0.903 54.5 74.8-101.2 122.7 35.0 32.1 14.7 89 109 A G - 0 0 22 -2,-0.6 26,-3.6 3,-0.0 2,-0.4 -0.944 67.8 -88.0 162.0 177.5 36.2 29.8 11.9 90 110 A I S S- 0 0 72 -2,-0.3 23,-0.1 24,-0.2 24,-0.0 -0.942 91.5 -14.5-124.2 140.9 38.1 26.7 10.7 91 111 A V 0 0 43 -2,-0.4 8,-0.1 21,-0.3 -1,-0.1 0.591 360.0 360.0 45.1 24.4 41.7 26.3 9.7 92 112 A G 0 0 72 7,-0.0 -1,-0.2 -5,-0.0 3,-0.1 0.754 360.0 360.0 112.6 360.0 42.1 30.1 9.5 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 121 A V > 0 0 143 0, 0.0 4,-3.3 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -79.0 50.3 27.5 6.2 95 122 A F H > + 0 0 120 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.791 360.0 32.1 -27.7 -80.9 46.8 26.4 7.0 96 123 A K H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.812 119.9 56.0 -56.5 -32.0 47.0 22.6 7.1 97 124 A A H > S+ 0 0 46 -3,-0.5 4,-1.1 2,-0.2 3,-0.3 0.977 114.0 37.7 -63.5 -55.1 50.6 22.9 8.4 98 125 A V H >X S+ 0 0 38 -4,-3.3 4,-2.2 1,-0.2 3,-0.5 0.907 109.4 64.5 -64.0 -42.1 49.5 25.1 11.3 99 126 A K H 3X S+ 0 0 72 -4,-3.5 4,-3.3 -5,-0.4 -1,-0.2 0.876 99.0 53.6 -50.8 -42.7 46.3 23.1 11.8 100 127 A D H 3X S+ 0 0 73 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.3 0.899 106.1 50.6 -64.0 -36.8 48.3 20.0 12.7 101 128 A L H X S+ 0 0 30 -4,-2.2 4,-2.9 1,-0.2 3,-0.6 0.972 107.6 54.0 -61.8 -51.9 46.9 23.0 16.8 103 130 A K H 3< S+ 0 0 84 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.753 115.2 40.9 -53.7 -30.1 45.4 19.5 16.6 104 131 A K H 3< S+ 0 0 139 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.709 115.9 50.0 -91.2 -23.8 48.3 18.2 18.7 105 132 A A H << S+ 0 0 53 -4,-1.8 2,-0.6 -3,-0.6 -2,-0.2 0.795 103.7 64.3 -83.4 -30.1 48.4 21.2 21.0 106 133 A F >< - 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