==== 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 TRANSFERASE/DNA 25-SEP-06 2IH4 . COMPND 2 MOLECULE: MODIFICATION METHYLASE TAQI; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 14.2 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 . 2 0.3 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 . 73 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 19.6 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 4 1 1 0 2 2 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 8 2 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 2 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 21 A V 0 0 148 0, 0.0 2,-0.4 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 139.9 14.3 -12.5 40.5 2 22 A E - 0 0 146 30,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.968 360.0-137.8-114.0 130.5 13.9 -13.9 37.0 3 23 A T - 0 0 15 -2,-0.4 5,-0.1 173,-0.1 173,-0.1 -0.793 35.5-111.5 -83.3 121.8 11.6 -12.4 34.5 4 24 A P >> - 0 0 11 0, 0.0 4,-2.1 0, 0.0 3,-0.8 -0.224 23.8-117.4 -54.2 142.6 9.8 -15.3 32.7 5 25 A P H 3> S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.838 113.7 53.9 -54.4 -38.7 10.8 -15.7 29.1 6 26 A E H 3> S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 201,-0.2 0.837 108.6 49.4 -67.2 -32.4 7.3 -15.0 27.7 7 27 A V H <> S+ 0 0 1 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.956 112.6 47.3 -68.5 -51.3 7.2 -11.7 29.7 8 28 A V H X S+ 0 0 13 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 111.4 50.9 -50.1 -50.5 10.7 -10.7 28.3 9 29 A D H X S+ 0 0 88 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.904 109.7 50.8 -62.3 -40.4 9.7 -11.6 24.7 10 30 A F H X S+ 0 0 3 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.918 111.7 46.6 -58.8 -47.4 6.5 -9.5 25.0 11 31 A M H >X S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 4,-0.7 0.884 109.6 53.9 -65.8 -40.1 8.4 -6.5 26.2 12 32 A V H 3< S+ 0 0 6 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.848 102.9 57.5 -62.5 -36.1 11.1 -6.9 23.5 13 33 A S H 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.744 110.6 44.4 -65.6 -22.9 8.3 -6.9 20.9 14 34 A L H << S+ 0 0 21 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.2 0.531 96.3 98.8 -95.1 -12.7 7.3 -3.4 22.2 15 35 A A < + 0 0 3 -4,-0.7 2,-0.3 -3,-0.5 66,-0.1 -0.622 48.1 172.0 -80.7 132.3 10.9 -2.3 22.4 16 36 A E + 0 0 96 -2,-0.3 123,-0.3 64,-0.1 -3,-0.0 -0.993 4.9 164.7-137.9 147.1 12.2 -0.1 19.6 17 37 A A - 0 0 20 -2,-0.3 2,-0.1 121,-0.1 3,-0.1 -0.977 39.9-101.9-153.0 149.4 15.4 1.8 19.1 18 38 A P > - 0 0 75 0, 0.0 3,-2.6 0, 0.0 2,-0.1 -0.466 51.1 -93.8 -66.5 148.0 17.2 3.4 16.2 19 39 A R T 3 S+ 0 0 220 1,-0.3 26,-0.2 -2,-0.1 3,-0.1 -0.466 121.8 25.4 -58.3 132.9 20.2 1.4 14.7 20 40 A G T 3 S+ 0 0 58 24,-3.8 -1,-0.3 1,-0.3 25,-0.2 0.343 99.4 144.3 85.0 -4.8 23.2 2.8 16.5 21 41 A G < - 0 0 3 -3,-2.6 25,-2.0 23,-0.3 2,-0.6 -0.267 58.1-107.7 -68.6 152.0 20.9 3.8 19.4 22 42 A R E -a 46 0A 32 23,-0.2 59,-2.1 56,-0.1 58,-1.6 -0.730 34.9-168.6 -85.7 118.6 21.8 3.6 23.1 23 43 A V E -ab 47 81A 0 23,-3.0 25,-2.6 -2,-0.6 2,-0.4 -0.945 6.1-169.7-115.4 113.6 20.0 0.7 24.8 24 44 A L E -ab 48 82A 0 57,-2.9 59,-2.4 -2,-0.5 25,-0.2 -0.846 16.6-165.3-109.9 136.8 20.1 0.6 28.6 25 45 A E E > -a 49 0A 6 23,-2.4 25,-1.8 -2,-0.4 3,-0.5 -0.942 16.9-152.6-114.2 110.7 19.1 -2.1 31.1 26 46 A P E 3 S+a 50 0A 1 0, 0.0 59,-0.3 0, 0.0 25,-0.1 -0.489 81.1 11.2 -72.4 147.6 18.8 -0.7 34.7 27 47 A A T 3 S+ 0 0 32 23,-0.9 24,-0.2 -2,-0.1 58,-0.2 0.929 87.7 164.8 50.8 54.8 19.4 -3.2 37.6 28 48 A C X + 0 0 2 22,-1.7 3,-3.2 -3,-0.5 2,-0.2 0.660 15.5 178.1 -84.2 -21.3 20.7 -5.6 34.9 29 49 A A T 3 S- 0 0 30 1,-0.3 29,-2.1 21,-0.2 -1,-0.2 -0.368 86.8 -7.6 43.2-110.5 22.5 -8.4 36.8 30 50 A H T 3 S- 0 0 62 27,-0.2 -1,-0.3 -2,-0.2 -2,-0.1 0.603 105.7-114.1 -82.1 -13.2 23.6 -10.6 33.8 31 51 A G <> + 0 0 0 -3,-3.2 4,-2.4 28,-0.1 5,-0.2 0.936 45.9 172.6 85.3 52.5 21.4 -8.5 31.5 32 52 A P H > S+ 0 0 38 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.846 81.5 50.0 -60.8 -35.2 18.6 -10.8 30.2 33 53 A F H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 110.2 49.0 -70.0 -40.0 16.9 -7.8 28.4 34 54 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 114.2 47.0 -64.6 -43.1 20.1 -6.7 26.7 35 55 A R H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 114.6 46.9 -59.4 -47.3 20.6 -10.4 25.6 36 56 A A H X S+ 0 0 19 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.877 112.1 48.0 -66.1 -43.0 17.0 -10.7 24.4 37 57 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.868 112.8 49.4 -67.3 -38.2 16.8 -7.4 22.5 38 58 A R H X S+ 0 0 66 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.926 109.4 52.4 -64.3 -46.9 20.1 -8.3 20.7 39 59 A E H < S+ 0 0 174 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.830 120.3 34.4 -50.8 -38.8 18.8 -11.7 19.9 40 60 A A H < S+ 0 0 65 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.864 129.7 25.9 -91.8 -41.3 15.7 -10.2 18.3 41 61 A H H < S- 0 0 78 -4,-3.0 3,-0.2 1,-0.3 -3,-0.2 0.488 106.1-112.0-110.2 -8.9 16.7 -6.9 16.7 42 62 A G < - 0 0 31 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.437 31.8 -68.0 106.4-175.0 20.4 -7.4 15.9 43 63 A T S S+ 0 0 94 1,-0.2 2,-1.2 -2,-0.1 -1,-0.1 0.451 91.3 99.9-100.0 -3.9 23.9 -6.2 17.0 44 64 A A + 0 0 53 -3,-0.2 -24,-3.8 -6,-0.1 -23,-0.3 -0.291 64.5 84.0 -90.4 53.4 23.9 -2.6 15.8 45 65 A Y S S- 0 0 32 -2,-1.2 2,-0.8 -26,-0.2 -23,-0.2 -0.952 81.7-108.4-137.4 162.1 23.2 -0.8 19.0 46 66 A R E -a 22 0A 102 -25,-2.0 -23,-3.0 -2,-0.3 2,-0.4 -0.850 38.2-155.5 -89.7 110.5 25.2 0.4 22.0 47 67 A F E +ac 23 63A 3 -2,-0.8 17,-2.9 15,-0.6 2,-0.4 -0.759 16.0 177.2 -91.9 129.8 24.3 -1.9 24.9 48 68 A V E -ac 24 64A 1 -25,-2.6 -23,-2.4 -2,-0.4 2,-0.4 -0.990 9.3-170.0-134.2 138.4 24.7 -0.6 28.5 49 69 A G E -ac 25 65A 0 15,-3.0 17,-3.1 -2,-0.4 2,-0.5 -0.997 7.1-158.6-131.9 136.3 23.9 -2.1 31.9 50 70 A V E +ac 26 66A 0 -25,-1.8 -22,-1.7 -2,-0.4 -23,-0.9 -0.947 19.0 166.7-113.6 128.2 23.8 -0.6 35.3 51 71 A E E - c 0 67A 22 15,-2.9 17,-1.1 -2,-0.5 18,-0.1 -0.994 27.5-158.0-145.7 130.6 24.1 -2.9 38.4 52 72 A I S S+ 0 0 106 -2,-0.4 17,-0.1 15,-0.2 -1,-0.1 0.764 79.1 71.9 -81.5 -26.4 24.9 -1.9 42.0 53 73 A D >> - 0 0 63 1,-0.1 4,-1.9 15,-0.1 3,-0.8 -0.823 65.6-158.0 -99.3 111.9 26.1 -5.3 43.1 54 74 A P T 34 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.729 96.2 54.9 -59.9 -22.3 29.6 -6.2 41.7 55 75 A K T 34 S+ 0 0 187 1,-0.1 -2,-0.0 -3,-0.0 -3,-0.0 0.806 109.9 46.1 -78.7 -31.3 28.8 -9.8 42.3 56 76 A A T <4 S+ 0 0 32 -3,-0.8 2,-0.4 -27,-0.0 -1,-0.1 0.800 88.6 97.2 -79.3 -33.2 25.6 -9.6 40.3 57 77 A L < + 0 0 15 -4,-1.9 -27,-0.2 1,-0.1 541,-0.1 -0.449 36.4 143.8 -68.4 118.8 27.0 -7.7 37.3 58 78 A D + 0 0 45 -29,-2.1 -1,-0.1 -2,-0.4 -3,-0.0 -0.354 17.0 165.5-157.2 59.1 27.9 -10.1 34.5 59 79 A L - 0 0 5 1,-0.1 -28,-0.1 538,-0.1 6,-0.1 -0.469 44.5-100.3 -76.2 150.8 27.2 -8.6 31.1 60 80 A P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 538,-0.2 -0.346 39.8-105.2 -63.6 156.8 28.5 -10.1 27.9 61 81 A P T 3 S+ 0 0 76 0, 0.0 4,-0.1 0, 0.0 537,-0.1 0.724 117.2 69.0 -59.8 -22.1 31.6 -8.2 26.6 62 82 A W T 3 S+ 0 0 53 2,-0.1 -15,-0.6 -16,-0.0 2,-0.4 0.518 96.1 66.4 -74.1 -3.5 29.6 -6.6 23.8 63 83 A A E < S-c 47 0A 11 -3,-2.1 2,-0.5 -17,-0.1 -15,-0.2 -0.934 86.3-119.1-120.6 141.7 27.8 -4.5 26.5 64 84 A E E -c 48 0A 81 -17,-2.9 -15,-3.0 -2,-0.4 2,-0.5 -0.675 28.3-152.5 -76.6 124.9 29.1 -1.8 28.7 65 85 A G E -c 49 0A 38 -2,-0.5 2,-0.5 -17,-0.2 -15,-0.2 -0.866 8.9-164.5-101.6 129.7 28.8 -2.8 32.4 66 86 A I E -c 50 0A 29 -17,-3.1 -15,-2.9 -2,-0.5 2,-1.0 -0.964 15.1-147.2-119.4 126.8 28.4 -0.0 35.0 67 87 A L E +c 51 0A 108 -2,-0.5 2,-0.3 -17,-0.2 -15,-0.2 -0.813 56.2 110.8 -88.2 101.2 28.9 -0.4 38.8 68 88 A A S S- 0 0 24 -17,-1.1 2,-0.8 -2,-1.0 -15,-0.1 -0.982 77.1-100.4-166.2 149.3 26.4 2.1 40.2 69 89 A D > - 0 0 28 -2,-0.3 3,-1.4 1,-0.2 4,-0.4 -0.787 38.0-147.5 -69.7 113.1 23.2 2.8 42.0 70 90 A F G > S+ 0 0 5 -2,-0.8 3,-0.9 1,-0.3 -1,-0.2 0.825 93.9 60.5 -55.5 -34.8 21.0 3.5 38.9 71 91 A L G 3 S+ 0 0 1 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.715 113.3 35.1 -69.9 -21.8 19.0 6.0 41.0 72 92 A L G < S+ 0 0 66 -3,-1.4 2,-0.3 2,-0.0 -1,-0.2 0.262 92.8 122.3-110.3 6.7 22.0 8.2 41.7 73 93 A W < - 0 0 29 -3,-0.9 -5,-0.0 -4,-0.4 -3,-0.0 -0.569 38.6-173.5 -84.7 128.2 23.7 7.6 38.3 74 94 A E - 0 0 150 -2,-0.3 -1,-0.1 59,-0.0 -3,-0.0 -0.741 10.9-175.5-123.2 83.5 24.5 10.6 36.1 75 95 A P - 0 0 31 0, 0.0 3,-0.0 0, 0.0 0, 0.0 -0.160 33.9-116.5 -71.7 171.3 25.7 9.4 32.7 76 96 A G S S+ 0 0 92 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.847 93.0 34.3 -76.4 -36.6 27.0 11.8 30.0 77 97 A E S S- 0 0 103 1,-0.0 -1,-0.1 58,-0.0 2,-0.1 -0.873 77.4-120.3-124.2 152.9 24.3 11.0 27.4 78 98 A A - 0 0 32 -2,-0.3 2,-0.3 56,-0.1 56,-0.3 -0.259 34.5-112.0 -79.5 175.1 20.6 10.1 27.4 79 99 A F E - d 0 134A 1 54,-2.6 56,-2.8 51,-0.2 3,-0.1 -0.826 9.8-151.9-121.7 150.3 19.2 6.9 26.0 80 100 A D E S+ 0 0 24 -58,-1.6 59,-2.8 -2,-0.3 2,-0.4 0.806 90.5 19.2 -84.9 -34.3 17.0 5.9 23.0 81 101 A L E -bd 23 139A 0 -59,-2.1 -57,-2.9 57,-0.2 2,-0.4 -0.994 60.2-176.7-141.5 131.1 15.7 2.7 24.7 82 102 A I E +bd 24 140A 0 57,-2.3 59,-2.7 -2,-0.4 2,-0.3 -0.999 18.5 166.7-126.8 124.5 15.5 1.7 28.4 83 103 A L E + d 0 141A 0 -59,-2.4 2,-0.3 -2,-0.4 59,-0.2 -0.989 14.7 79.3-137.9 149.5 14.1 -1.7 29.2 84 104 A G E - 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0 0 68 -4,-2.8 -1,-0.2 1,-0.1 -6,-0.1 -0.895 62.2-141.3-127.4 149.2 10.2 -3.2 55.0 98 118 A P S S+ 0 0 82 0, 0.0 2,-0.6 0, 0.0 -7,-0.1 0.644 80.1 76.4 -84.5 -19.0 12.4 -5.2 52.5 99 119 A I B -i 91 0B 33 -9,-1.9 -7,-2.4 -6,-0.1 2,-0.6 -0.863 60.2-173.0-102.7 118.9 14.7 -2.4 51.1 100 120 A H + 0 0 113 -2,-0.6 2,-0.3 -9,-0.2 -7,-0.1 -0.935 15.2 152.2-119.8 110.6 17.5 -1.4 53.5 101 121 A V - 0 0 53 -2,-0.6 5,-0.1 -9,-0.1 -2,-0.0 -0.963 52.9 -87.2-132.3 153.6 19.8 1.5 52.7 102 122 A F >> - 0 0 165 -2,-0.3 3,-1.9 1,-0.1 4,-1.4 -0.343 45.1-115.0 -55.1 133.8 21.8 3.9 54.8 103 123 A K H 3> S+ 0 0 142 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.802 114.5 59.0 -44.5 -41.2 19.5 6.9 55.7 104 124 A A H 3> S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.830 103.8 51.6 -61.9 -34.4 21.7 9.3 53.7 105 125 A V H <> S+ 0 0 36 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.951 109.3 48.1 -67.9 -49.1 21.1 7.3 50.5 106 126 A K H X S+ 0 0 52 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.898 110.1 54.8 -55.1 -41.1 17.3 7.3 51.0 107 127 A D H X S+ 0 0 59 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.875 105.7 51.7 -58.1 -41.3 17.7 11.1 51.6 108 128 A L H X S+ 0 0 81 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.861 108.5 52.0 -63.2 -37.0 19.4 11.4 48.3 109 129 A Y H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.949 108.9 47.7 -63.8 -52.0 16.5 9.6 46.6 110 130 A K H < S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.9 49.3 -56.3 -36.2 13.9 11.9 48.1 111 131 A K H < S+ 0 0 176 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.871 114.2 43.1 -71.2 -40.7 16.1 14.8 46.9 112 132 A A H < S+ 0 0 53 -4,-2.3 2,-0.6 1,-0.1 -2,-0.2 0.767 104.1 70.3 -77.0 -27.5 16.5 13.5 43.4 113 133 A F >< - 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