==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METHYLTRANSFERASE 25-JUL-96 1AQJ . COMPND 2 MOLECULE: ADENINE-N6-DNA-METHYLTRANSFERASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR G.SCHLUCKEBIER,W.SAENGER . 766 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 15.3 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 . 79 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 2 1 0 6 1 5 4 0 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 1 7 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 5 5 2 2 0 4 2 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 . 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 57 0, 0.0 166,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -97.6 30.7 40.6 13.5 2 22 A E - 0 0 128 1,-0.1 0, 0.0 163,-0.1 0, 0.0 0.864 360.0 -96.2 30.0 98.1 32.5 43.3 15.5 3 23 A T - 0 0 11 1,-0.1 -1,-0.1 162,-0.1 162,-0.1 -0.038 40.5-122.7 -40.2 111.2 31.1 43.1 19.0 4 24 A P >> - 0 0 21 0, 0.0 4,-2.0 0, 0.0 3,-1.4 -0.291 24.0-111.9 -57.6 145.5 28.3 45.7 19.4 5 25 A P H 3> S+ 0 0 62 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.838 116.5 54.4 -48.1 -43.1 28.8 48.3 22.2 6 26 A E H 3> S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 190,-0.4 0.795 107.9 50.7 -66.1 -26.5 25.9 46.9 24.3 7 27 A V H <> S+ 0 0 1 -3,-1.4 4,-2.5 2,-0.2 5,-0.2 0.949 110.6 48.0 -74.2 -46.9 27.4 43.5 24.1 8 28 A V H X S+ 0 0 15 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.876 111.5 51.4 -58.5 -40.2 30.8 44.7 25.3 9 29 A D H X S+ 0 0 73 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.901 109.4 50.8 -62.9 -42.0 29.1 46.6 28.1 10 30 A F H < S+ 0 0 9 -4,-1.6 4,-0.4 1,-0.2 3,-0.3 0.937 111.4 46.6 -61.6 -48.1 27.3 43.4 29.1 11 31 A M H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.7 0.808 109.4 54.1 -65.6 -32.4 30.5 41.4 29.2 12 32 A V H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 102.3 58.3 -72.2 -28.4 32.4 44.0 31.2 13 33 A S T 3< S+ 0 0 85 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.562 110.4 43.5 -75.1 -12.1 29.7 44.0 33.8 14 34 A L T <4 S+ 0 0 21 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.607 96.7 96.7-100.9 -26.2 30.4 40.3 34.4 15 35 A A < + 0 0 4 -4,-1.1 2,-0.3 -5,-0.1 66,-0.1 -0.326 49.2 169.6 -65.5 150.8 34.1 40.8 34.3 16 36 A E + 0 0 109 64,-0.1 112,-0.2 112,-0.0 -3,-0.0 -0.968 9.2 167.6-161.4 148.3 36.0 41.1 37.6 17 37 A A - 0 0 12 -2,-0.3 3,-0.1 110,-0.1 6,-0.1 -0.937 37.8-101.2-164.0 143.0 39.6 41.0 38.6 18 38 A P > - 0 0 73 0, 0.0 3,-2.8 0, 0.0 62,-0.1 -0.307 57.8 -72.0 -68.4 158.3 41.4 41.9 41.9 19 39 A R T 3 S+ 0 0 187 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.236 123.5 8.6 -51.5 127.9 43.2 45.2 42.4 20 40 A G T 3 S+ 0 0 49 24,-4.0 -1,-0.3 1,-0.2 25,-0.2 0.518 98.3 151.6 75.7 4.6 46.4 45.3 40.4 21 41 A G < - 0 0 6 -3,-2.8 25,-3.1 23,-0.4 2,-0.5 -0.197 52.4-100.2 -67.9 158.6 45.3 42.0 38.7 22 42 A R E -a 46 0A 75 23,-0.2 59,-1.9 56,-0.2 58,-1.6 -0.736 35.8-167.7 -84.4 123.2 46.4 41.0 35.2 23 43 A V E -ab 47 81A 0 23,-3.9 25,-2.6 -2,-0.5 2,-0.4 -0.926 6.5-173.7-113.4 130.8 43.8 41.6 32.5 24 44 A L E -ab 48 82A 0 57,-2.2 59,-2.4 -2,-0.4 25,-0.2 -0.972 16.4-166.5-128.9 141.1 44.3 40.1 29.0 25 45 A E E > -a 49 0A 2 23,-1.9 25,-1.7 -2,-0.4 3,-0.8 -0.947 18.1-152.0-126.1 103.3 42.5 40.4 25.8 26 46 A P E 3 S+a 50 0A 0 0, 0.0 59,-0.5 0, 0.0 25,-0.1 -0.547 81.9 13.9 -76.1 144.5 43.4 37.8 23.2 27 47 A A T 3 S+ 0 0 0 23,-1.5 24,-0.2 -2,-0.2 58,-0.1 0.861 89.1 160.8 58.7 38.2 43.1 38.7 19.5 28 48 A C X + 0 0 2 22,-1.3 3,-0.7 -3,-0.8 2,-0.7 0.784 17.1 177.1 -59.4 -47.7 42.8 42.2 20.8 29 49 A A T 3 S- 0 0 15 1,-0.3 29,-1.8 2,-0.1 -1,-0.2 -0.584 85.8 -2.3 71.2-107.9 43.5 44.5 17.8 30 50 A H T 3 S- 0 0 71 -2,-0.7 -1,-0.3 27,-0.2 5,-0.1 0.155 106.2-111.2 -98.6 17.1 42.9 47.9 19.3 31 51 A G <> + 0 0 0 -3,-0.7 4,-2.1 28,-0.1 5,-0.2 0.879 46.2 174.5 58.9 52.8 41.9 46.4 22.6 32 52 A P H > S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.759 81.6 43.5 -59.6 -28.4 38.1 47.2 22.8 33 53 A F H > S+ 0 0 2 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.822 109.6 55.3 -85.7 -34.3 37.6 45.2 26.0 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.930 112.6 44.4 -61.5 -46.3 40.8 46.5 27.7 35 55 A R H X S+ 0 0 83 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.990 115.3 45.7 -61.2 -61.5 39.5 50.1 27.2 36 56 A A H < S+ 0 0 17 -4,-1.5 -2,-0.2 1,-0.2 5,-0.2 0.881 114.6 49.1 -49.9 -46.4 35.9 49.4 28.3 37 57 A F H >X S+ 0 0 0 -4,-2.8 4,-3.7 1,-0.2 3,-2.1 0.970 114.5 43.3 -59.4 -55.8 37.1 47.4 31.4 38 58 A R H 3X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.3 -2,-0.2 0.895 111.0 57.6 -53.9 -43.4 39.6 50.1 32.4 39 59 A E H 3< S+ 0 0 67 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.2 0.292 122.1 24.3 -71.8 5.9 36.9 52.7 31.7 40 60 A A H <4 S+ 0 0 47 -3,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.502 130.1 35.0-141.3 -30.3 34.5 51.0 34.1 41 61 A H H < S- 0 0 66 -4,-3.7 -3,-0.2 1,-0.3 3,-0.2 0.443 110.5-103.8-109.5 -5.8 36.5 49.1 36.7 42 62 A G < - 0 0 21 -4,-1.6 -1,-0.3 -5,-0.5 -2,-0.2 -0.465 23.2 -84.4 114.3 177.2 39.5 51.4 37.0 43 63 A T S S+ 0 0 76 -2,-0.1 2,-2.3 1,-0.1 -1,-0.1 0.493 90.3 103.3-102.7 -9.1 43.1 51.9 36.1 44 64 A G + 0 0 20 -3,-0.2 -24,-4.0 -6,-0.1 -23,-0.4 -0.278 65.2 86.3 -76.1 58.1 44.6 49.8 38.9 45 65 A Y S S- 0 0 45 -2,-2.3 2,-0.6 -25,-0.2 -23,-0.2 -0.893 79.8-107.7-145.8 172.5 45.3 46.7 36.8 46 66 A R E -a 22 0A 89 -25,-3.1 -23,-3.9 -2,-0.3 2,-0.5 -0.942 38.5-156.4-107.7 114.0 48.0 45.1 34.6 47 67 A F E +ac 23 63A 8 -2,-0.6 17,-2.7 15,-0.5 2,-0.4 -0.831 16.5 172.7-100.4 129.9 46.8 45.3 30.9 48 68 A V E -ac 24 64A 0 -25,-2.6 -23,-1.9 -2,-0.5 2,-0.4 -0.992 9.7-167.7-134.0 139.2 48.1 42.9 28.2 49 69 A G E -ac 25 65A 0 15,-2.6 17,-4.7 -2,-0.4 2,-0.5 -0.993 7.1-155.4-130.0 132.2 46.9 42.5 24.6 50 70 A V E +ac 26 66A 1 -25,-1.7 -23,-1.5 -2,-0.4 -22,-1.3 -0.935 22.8 161.0-110.6 121.0 47.8 39.7 22.2 51 71 A E E - c 0 67A 0 15,-2.6 17,-1.2 -2,-0.5 -2,-0.0 -0.996 28.6-164.6-139.0 139.4 47.6 40.3 18.4 52 72 A I S S+ 0 0 81 -2,-0.4 17,-0.1 15,-0.2 -1,-0.1 0.717 77.0 76.7 -93.9 -24.6 49.3 38.4 15.5 53 73 A D >> - 0 0 68 1,-0.2 4,-1.7 15,-0.1 3,-1.6 -0.790 64.1-162.0 -92.7 108.4 48.6 41.2 13.0 54 74 A P T 34 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.800 93.1 54.3 -57.5 -33.1 51.2 44.0 13.5 55 75 A K T 34 S+ 0 0 197 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.667 109.3 47.5 -76.1 -18.7 48.9 46.3 11.4 56 76 A A T <4 S+ 0 0 23 -3,-1.6 2,-0.7 -27,-0.0 -1,-0.2 0.755 84.3 97.9 -93.3 -28.9 45.9 45.5 13.6 57 77 A L < + 0 0 41 -4,-1.7 -27,-0.2 -27,-0.1 2,-0.2 -0.500 39.5 155.8 -67.0 108.7 47.5 46.0 17.0 58 78 A D + 0 0 113 -29,-1.8 -1,-0.1 -2,-0.7 -3,-0.0 -0.667 15.5 162.8-136.6 75.3 46.6 49.6 18.1 59 79 A L - 0 0 35 -2,-0.2 -28,-0.1 4,-0.1 6,-0.1 -0.737 38.2-110.4-102.0 148.2 46.8 49.7 21.9 60 80 A P > - 0 0 18 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 -0.346 38.1-102.0 -70.2 155.0 47.0 52.8 24.3 61 81 A P T 3 S+ 0 0 137 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.646 119.0 63.9 -51.2 -23.3 50.2 53.5 26.2 62 82 A W T 3 S+ 0 0 74 2,-0.0 -15,-0.5 -16,-0.0 2,-0.3 0.589 94.7 73.2 -80.8 -9.3 48.7 52.0 29.4 63 83 A A E < S-c 47 0A 15 -3,-2.7 2,-0.8 -17,-0.1 -15,-0.2 -0.817 77.6-133.3-108.3 144.4 48.5 48.5 27.8 64 84 A E E -c 48 0A 82 -17,-2.7 -15,-2.6 -2,-0.3 2,-0.5 -0.861 25.4-154.4 -95.8 108.3 51.3 46.1 27.0 65 85 A G E -c 49 0A 39 -2,-0.8 2,-0.6 -17,-0.2 -15,-0.2 -0.756 6.5-163.3 -89.1 126.6 50.7 44.9 23.5 66 86 A I E -c 50 0A 33 -17,-4.7 -15,-2.6 -2,-0.5 2,-0.9 -0.946 8.7-150.4-113.8 120.2 52.1 41.5 22.6 67 87 A L E +c 51 0A 92 -2,-0.6 2,-0.3 -17,-0.2 -15,-0.2 -0.790 51.7 103.0 -90.5 100.5 52.5 40.6 19.0 68 88 A A S S- 0 0 28 -17,-1.2 2,-0.9 -2,-0.9 -15,-0.1 -0.968 78.0 -81.3-165.5 174.0 52.1 36.8 18.7 69 89 A D >> - 0 0 32 -2,-0.3 3,-2.2 1,-0.2 4,-1.1 -0.809 37.5-151.6 -90.2 104.7 50.0 33.8 17.8 70 90 A F T 34 S+ 0 0 1 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.801 91.2 58.3 -45.5 -41.9 47.8 33.4 20.9 71 91 A L T 34 S+ 0 0 4 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.707 119.7 28.3 -65.9 -21.4 47.4 29.6 20.4 72 92 A L T <4 S+ 0 0 82 -3,-2.2 -1,-0.2 2,-0.0 -2,-0.2 0.315 94.4 118.9-118.5 0.4 51.1 29.0 20.5 73 93 A W < - 0 0 31 -4,-1.1 -5,-0.0 -3,-0.4 -3,-0.0 -0.338 43.4-167.5 -66.0 151.4 52.0 31.9 22.8 74 94 A E + 0 0 143 48,-0.0 2,-0.1 -2,-0.0 -3,-0.0 -0.740 6.8 179.9-147.0 88.5 53.5 31.0 26.1 75 95 A P - 0 0 19 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.408 31.1-134.9 -80.8 168.9 53.8 33.7 28.7 76 96 A G S S+ 0 0 92 -2,-0.1 2,-0.3 2,-0.1 0, 0.0 0.544 84.1 82.9 -97.4 -9.3 55.3 32.9 32.1 77 97 A E - 0 0 36 47,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.670 69.8-143.7 -97.8 145.6 52.4 34.7 33.8 78 98 A A - 0 0 39 -2,-0.3 45,-0.2 45,-0.0 2,-0.2 -0.819 27.4-126.6-102.1 146.5 49.0 33.3 34.6 79 99 A F E - d 0 123A 0 43,-4.7 45,-2.6 -2,-0.3 3,-0.1 -0.606 14.9-155.5-102.7 159.1 46.1 35.7 34.2 80 100 A D E S+ 0 0 22 -58,-1.6 48,-2.9 1,-0.3 2,-0.4 0.813 84.9 19.3 -91.3 -41.8 43.3 36.9 36.6 81 101 A L E -bd 23 128A 0 -59,-1.9 -57,-2.2 46,-0.2 2,-0.5 -0.997 60.4-168.6-138.0 131.3 40.8 38.0 34.0 82 102 A I E +bd 24 129A 0 46,-2.5 48,-2.8 -2,-0.4 2,-0.3 -0.978 12.0 178.9-123.3 117.5 40.6 37.1 30.3 83 103 A L E + d 0 130A 0 -59,-2.4 2,-0.3 -2,-0.5 48,-0.2 -0.874 21.3 106.8-114.6 149.8 38.1 39.2 28.1 84 104 A G E - d 0 131A 0 46,-1.4 48,-1.2 -2,-0.3 -57,-0.1 -0.933 60.2-111.5 163.6 171.8 37.5 38.8 24.4 85 105 A N - 0 0 6 -59,-0.5 48,-0.1 -2,-0.3 3,-0.1 -0.921 45.1-153.5-132.5 96.3 35.8 37.9 21.2 86 106 A P - 0 0 0 0, 0.0 26,-0.1 0, 0.0 2,-0.1 -0.239 29.2 -84.5 -72.1 160.2 37.9 35.0 19.7 87 107 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 28,-0.2 -0.461 42.0-144.6 -65.6 138.2 38.2 34.2 16.0 88 108 A Y + 0 0 46 681,-2.7 2,-0.2 23,-0.2 22,-0.0 -0.906 48.9 66.4-105.9 134.6 35.3 32.0 14.8 89 109 A G S S- 0 0 22 -2,-0.4 22,-3.7 2,-0.0 2,-0.2 -0.644 75.0 -70.5 141.7 162.5 36.1 29.5 12.1 90 110 A I 0 0 85 20,-0.2 19,-0.1 -2,-0.2 20,-0.1 -0.570 360.0 360.0 -83.9 150.0 37.8 26.4 10.7 91 111 A V 0 0 67 17,-0.4 -1,-0.1 -2,-0.2 -2,-0.0 -0.464 360.0 360.0 -81.5 360.0 41.5 26.5 10.1 92 ! 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 93 124 A A > 0 0 112 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -52.5 49.3 22.4 8.0 94 125 A V H > + 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.766 360.0 68.3 -64.6 -21.5 49.1 24.6 11.1 95 126 A K H > S+ 0 0 56 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.939 96.0 50.5 -61.0 -50.0 45.9 22.7 11.7 96 127 A D H > S+ 0 0 92 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.827 110.8 50.4 -59.1 -33.3 47.7 19.5 12.3 97 128 A L H X S+ 0 0 104 -4,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.882 113.1 45.0 -72.6 -39.7 49.9 21.4 14.8 98 129 A Y H >X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 3,-1.2 0.936 108.2 58.1 -68.1 -45.1 46.8 22.8 16.5 99 130 A K H 3< S+ 0 0 74 -4,-3.8 6,-0.2 1,-0.3 -1,-0.2 0.838 111.4 41.8 -53.6 -36.5 45.1 19.4 16.5 100 131 A K H 3< S+ 0 0 188 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.588 113.4 54.4 -88.0 -11.9 48.0 18.0 18.5 101 132 A A H << S+ 0 0 48 -3,-1.2 2,-0.6 -4,-0.6 -2,-0.2 0.765 102.2 58.8 -91.8 -28.3 48.3 21.0 20.8 102 133 A F >< - 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