==== 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 12-JAN-09 3FTD . COMPND 2 MOLECULE: DIMETHYLADENOSINE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR C.TU,X.JI . 240 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 8.8 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 . 0 0.0 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 1 2 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 7 A S 0 0 118 0, 0.0 3,-0.3 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0-144.7 -14.1 0.7 -0.4 2 8 A F + 0 0 36 1,-0.2 5,-0.0 2,-0.1 33,-0.0 -0.284 360.0 49.6 -98.0 178.3 -10.7 -0.6 0.8 3 9 A G + 0 0 23 3,-0.1 -1,-0.2 -2,-0.1 4,-0.0 0.759 65.6 140.7 64.4 26.8 -7.1 0.3 0.2 4 10 A Q S S+ 0 0 109 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.775 79.6 12.6 -69.9 -29.5 -8.0 3.9 0.9 5 11 A H S S+ 0 0 118 1,-0.4 2,-0.3 157,-0.0 -1,-0.1 0.623 131.1 26.3-121.9 -26.3 -4.7 4.7 2.8 6 12 A L - 0 0 41 2,-0.0 2,-0.5 154,-0.0 -1,-0.4 -0.994 54.5-161.9-147.5 134.4 -2.4 1.8 2.2 7 13 A L E -A 161 0A 87 154,-2.6 154,-2.4 -2,-0.3 2,-0.4 -0.981 10.6-172.5-116.2 129.2 -1.9 -0.8 -0.6 8 14 A V E -A 160 0A 17 -2,-0.5 152,-0.2 152,-0.2 5,-0.1 -0.976 37.4 -98.2-118.9 133.5 0.1 -4.0 0.1 9 15 A S >> - 0 0 43 150,-2.6 4,-1.7 -2,-0.4 3,-0.8 -0.193 29.7-132.4 -46.3 130.7 1.0 -6.4 -2.6 10 16 A E H 3> S+ 0 0 81 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.818 104.6 61.1 -60.2 -32.3 -1.5 -9.3 -2.6 11 17 A G H 3> S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.872 104.1 49.6 -62.8 -37.0 1.3 -11.9 -2.7 12 18 A V H <> S+ 0 0 4 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.927 110.6 48.6 -68.9 -45.0 2.6 -10.5 0.6 13 19 A L H X S+ 0 0 7 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.918 110.7 51.9 -60.6 -42.2 -0.8 -10.7 2.3 14 20 A K H X S+ 0 0 93 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.876 109.1 49.6 -62.4 -37.7 -1.3 -14.2 1.0 15 21 A K H X S+ 0 0 70 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.893 109.6 52.1 -67.8 -40.2 2.1 -15.3 2.4 16 22 A I H X S+ 0 0 3 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.944 111.2 46.3 -59.5 -48.1 1.2 -13.7 5.8 17 23 A A H ><>S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 5,-0.6 0.882 110.0 54.7 -62.6 -38.0 -2.1 -15.7 5.8 18 24 A E H ><5S+ 0 0 131 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.849 100.9 58.9 -63.6 -36.0 -0.3 -18.9 4.9 19 25 A E H 3<5S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.722 95.5 64.9 -65.9 -21.6 2.1 -18.5 7.8 20 26 A L T <<5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.632 95.1-143.6 -75.6 -14.8 -0.8 -18.6 10.2 21 27 A N T < 5 - 0 0 86 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.1 0.928 21.6-155.1 49.5 54.4 -1.6 -22.1 9.1 22 28 A I < + 0 0 15 -5,-0.6 2,-0.3 4,-0.0 -1,-0.2 -0.412 19.7 173.9 -69.6 126.3 -5.3 -21.5 9.4 23 29 A E > - 0 0 106 -2,-0.2 3,-2.2 -3,-0.2 25,-0.2 -0.832 41.3 -64.6-129.4 163.9 -7.3 -24.6 10.0 24 30 A E T 3 S+ 0 0 165 -2,-0.3 23,-0.2 1,-0.3 -1,-0.1 -0.192 120.7 19.4 -47.3 131.3 -11.0 -25.6 10.7 25 31 A G T 3 S+ 0 0 42 21,-0.7 -1,-0.3 1,-0.3 22,-0.1 0.296 90.0 142.7 90.3 -9.6 -12.1 -24.2 14.1 26 32 A N < - 0 0 28 -3,-2.2 22,-3.0 20,-0.3 23,-1.4 -0.336 41.3-147.9 -67.4 141.9 -9.4 -21.5 14.3 27 33 A T E -bc 49 90B 26 62,-0.5 64,-2.4 21,-0.2 2,-0.4 -0.956 16.7-164.7-107.7 127.9 -10.1 -18.1 15.8 28 34 A V E -bc 50 91B 0 21,-2.7 23,-2.8 -2,-0.5 2,-0.5 -0.906 9.8-158.8-116.2 140.0 -8.0 -15.3 14.2 29 35 A V E -bc 51 92B 0 62,-2.9 64,-2.5 -2,-0.4 2,-0.5 -0.977 11.3-160.0-120.1 115.0 -7.5 -11.8 15.6 30 36 A E E +bc 52 93B 0 21,-3.4 23,-2.9 -2,-0.5 2,-0.2 -0.834 17.1 166.9-101.6 130.6 -6.4 -9.2 13.1 31 37 A V E + c 0 94B 0 62,-2.8 64,-0.6 -2,-0.5 2,-0.1 -0.767 34.7 36.5-129.8 174.3 -4.7 -6.0 14.2 32 38 A G E S- c 0 95B 14 21,-0.4 3,-0.3 -2,-0.2 64,-0.2 -0.434 87.3 -22.4 85.8-153.9 -2.8 -3.1 12.6 33 39 A G S S+ 0 0 20 62,-3.1 62,-0.5 1,-0.2 5,-0.1 -0.464 106.5 31.6-105.1 169.2 -3.2 -1.5 9.2 34 40 A G > + 0 0 30 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 0.835 65.9 160.1 59.2 35.9 -4.7 -2.2 5.8 35 41 A T H > + 0 0 0 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.759 59.2 66.1 -65.7 -25.6 -7.4 -4.3 7.5 36 42 A G H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.984 110.1 32.7 -56.9 -59.2 -9.8 -4.1 4.6 37 43 A N H > S+ 0 0 34 -3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.854 119.5 51.4 -71.1 -35.7 -7.6 -6.1 2.1 38 44 A L H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.893 107.1 55.4 -65.5 -38.5 -6.0 -8.4 4.7 39 45 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.922 105.5 51.6 -60.8 -43.4 -9.5 -9.2 6.0 40 46 A K H < S+ 0 0 111 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.886 111.4 47.7 -62.8 -37.1 -10.6 -10.3 2.5 41 47 A V H >< S+ 0 0 2 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.937 110.8 50.5 -68.2 -44.8 -7.5 -12.6 2.2 42 48 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 5,-0.4 0.861 102.4 61.0 -61.1 -36.6 -8.0 -14.1 5.7 43 49 A L T 3< S+ 0 0 20 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.582 88.9 71.7 -72.4 -8.1 -11.6 -14.9 5.0 44 50 A Q T < S+ 0 0 135 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.490 90.7 79.1 -78.7 -3.5 -10.5 -17.1 2.1 45 51 A H S < S- 0 0 54 -3,-1.9 2,-1.1 -4,-0.1 -22,-0.1 -0.717 97.3-104.0-106.9 158.9 -9.3 -19.6 4.8 46 52 A P + 0 0 61 0, 0.0 -21,-0.7 0, 0.0 -20,-0.3 0.005 63.9 148.0 -75.7 31.9 -11.3 -22.1 6.9 47 53 A L - 0 0 3 -2,-1.1 -20,-0.2 -5,-0.4 3,-0.1 -0.236 44.3-145.8 -62.4 155.7 -11.3 -20.0 10.1 48 54 A K S S+ 0 0 139 -22,-3.0 2,-0.3 1,-0.3 -21,-0.2 0.821 81.1 8.0 -88.0 -37.7 -14.3 -20.2 12.4 49 55 A K E -b 27 0B 49 -23,-1.4 -21,-2.7 2,-0.0 2,-0.5 -0.998 59.6-161.9-150.2 137.3 -14.2 -16.6 13.6 50 56 A L E -bd 28 71B 0 20,-3.1 22,-2.7 -2,-0.3 2,-0.5 -0.975 7.5-167.2-125.6 114.9 -12.2 -13.5 12.6 51 57 A Y E -bd 29 72B 31 -23,-2.8 -21,-3.4 -2,-0.5 2,-0.5 -0.876 4.0-162.3 -95.8 133.5 -12.0 -10.6 15.0 52 58 A V E -bd 30 73B 0 20,-2.3 22,-3.2 -2,-0.5 2,-0.8 -0.979 4.1-157.0-115.4 121.6 -10.7 -7.3 13.5 53 59 A I E + d 0 74B 5 -23,-2.9 -21,-0.4 -2,-0.5 2,-0.4 -0.840 28.8 158.1-103.3 105.1 -9.5 -4.8 16.1 54 60 A E - 0 0 25 20,-1.9 23,-0.1 -2,-0.8 -2,-0.1 -0.988 35.3-167.6-138.2 127.3 -9.7 -1.3 14.5 55 61 A L + 0 0 94 -2,-0.4 2,-0.6 20,-0.2 -1,-0.1 0.757 66.5 96.7 -83.0 -28.9 -9.9 2.2 15.9 56 62 A D > - 0 0 54 1,-0.2 4,-2.2 2,-0.1 5,-0.1 -0.528 59.4-162.0 -70.0 111.6 -10.7 3.9 12.5 57 63 A R H > S+ 0 0 190 -2,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.752 88.9 54.7 -72.8 -24.8 -14.5 4.3 12.6 58 64 A E H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 110.5 47.2 -68.3 -43.8 -14.7 4.8 8.8 59 65 A M H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.887 108.2 55.5 -63.7 -39.1 -12.8 1.6 8.4 60 66 A V H X S+ 0 0 15 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.944 107.8 49.5 -56.6 -47.1 -15.1 -0.1 10.9 61 67 A E H < S+ 0 0 135 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.929 112.4 47.2 -58.0 -47.4 -18.1 1.0 8.8 62 68 A N H >< S+ 0 0 40 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.887 111.8 49.8 -62.0 -41.9 -16.5 -0.4 5.6 63 69 A L H >< S+ 0 0 0 -4,-2.7 3,-2.3 1,-0.2 -1,-0.2 0.890 102.7 60.5 -64.0 -41.4 -15.5 -3.7 7.1 64 70 A K T 3< S+ 0 0 126 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.681 91.3 71.0 -61.6 -16.0 -19.0 -4.2 8.5 65 71 A S T < S+ 0 0 94 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.3 0.638 74.8 99.6 -77.3 -15.0 -20.1 -4.1 4.9 66 72 A I S < S- 0 0 36 -3,-2.3 5,-0.1 -4,-0.2 -3,-0.0 -0.617 70.5-146.7 -72.2 128.1 -18.5 -7.5 4.3 67 73 A G + 0 0 76 -2,-0.4 -1,-0.1 3,-0.0 4,-0.1 0.820 53.8 124.9 -70.3 -33.9 -21.3 -10.1 4.5 68 74 A D > - 0 0 53 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 0.086 53.4-149.4 -41.4 121.3 -19.3 -13.0 6.1 69 75 A E T 3 S+ 0 0 186 1,-0.3 -1,-0.2 -20,-0.0 -2,-0.0 0.639 93.9 65.4 -65.8 -13.6 -21.0 -14.2 9.3 70 76 A R T 3 S+ 0 0 60 -21,-0.1 -20,-3.1 -27,-0.1 2,-0.4 0.578 83.2 93.6 -85.3 -9.7 -17.5 -15.1 10.7 71 77 A L E < +d 50 0B 24 -3,-1.6 2,-0.4 -22,-0.2 -20,-0.2 -0.717 46.5 174.3 -93.2 129.1 -16.3 -11.5 10.8 72 78 A E E -d 51 0B 84 -22,-2.7 -20,-2.3 -2,-0.4 2,-0.5 -0.989 17.0-150.2-133.2 127.4 -16.7 -9.4 14.0 73 79 A V E -d 52 0B 17 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.810 5.8-163.9-101.8 131.7 -15.2 -5.9 14.3 74 80 A I E -d 53 0B 23 -22,-3.2 -20,-1.9 -2,-0.5 2,-1.7 -0.962 12.0-148.9-117.1 119.6 -14.1 -4.5 17.6 75 81 A N + 0 0 47 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.505 59.4 103.3 -89.8 68.0 -13.6 -0.7 17.8 76 82 A E S S- 0 0 107 -2,-1.7 2,-0.6 5,-0.0 -2,-0.1 -0.835 78.1 -82.1-139.9 177.5 -10.8 -0.7 20.3 77 83 A D >> - 0 0 41 -2,-0.3 3,-1.9 1,-0.1 4,-1.8 -0.751 25.8-156.5 -91.5 114.4 -7.0 -0.2 20.6 78 84 A A T 34 S+ 0 0 8 -2,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.649 92.0 63.3 -65.4 -15.2 -5.0 -3.4 19.9 79 85 A S T 34 S+ 0 0 20 1,-0.1 -1,-0.3 28,-0.1 28,-0.1 0.588 119.5 23.9 -83.9 -8.3 -2.0 -2.1 21.9 80 86 A K T <4 S+ 0 0 156 -3,-1.9 -2,-0.2 27,-0.0 -1,-0.1 0.505 93.2 114.4-127.3 -15.0 -4.2 -2.2 25.0 81 87 A F < - 0 0 33 -4,-1.8 2,-1.5 1,-0.1 3,-0.1 -0.372 67.6-123.3 -72.7 137.5 -7.0 -4.7 24.4 82 88 A P > - 0 0 70 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.614 25.4-170.5 -78.9 93.7 -7.2 -7.9 26.4 83 89 A F G > S+ 0 0 0 -2,-1.5 3,-2.5 1,-0.3 4,-0.5 0.833 78.5 68.6 -51.9 -36.1 -7.0 -10.5 23.7 84 90 A a G 3 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 3,-0.0 0.526 83.9 71.2 -71.3 -1.0 -7.9 -13.3 26.1 85 91 A S G < S+ 0 0 80 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.558 95.4 56.5 -80.2 -8.9 -11.4 -11.8 26.5 86 92 A L S < S- 0 0 26 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.678 122.9 -42.8 -93.3 -23.3 -12.0 -13.1 22.9 87 93 A G - 0 0 26 -4,-0.5 -1,-0.3 1,-0.1 3,-0.2 -0.926 48.2 -99.4 165.9 168.2 -11.2 -16.7 23.4 88 94 A K S S+ 0 0 192 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.652 109.4 34.0 -87.2 -18.6 -8.9 -19.3 24.8 89 95 A E S S+ 0 0 140 26,-0.1 -62,-0.5 -3,-0.1 2,-0.4 -0.887 73.8 168.7-145.4 108.2 -6.9 -19.9 21.7 90 96 A L E -c 27 0B 0 24,-2.3 27,-0.8 -2,-0.3 2,-0.6 -0.943 28.5-148.2-128.2 137.7 -6.2 -17.1 19.2 91 97 A K E -ce 28 117B 24 -64,-2.4 -62,-2.9 -2,-0.4 2,-0.4 -0.937 25.0-154.1-102.7 120.1 -4.0 -16.7 16.2 92 98 A V E +ce 29 118B 0 25,-2.1 27,-2.4 -2,-0.6 2,-0.3 -0.754 18.4 170.6-101.1 138.1 -2.9 -13.0 16.0 93 99 A V E +ce 30 119B 0 -64,-2.5 -62,-2.8 -2,-0.4 2,-0.3 -0.999 5.9 137.1-145.1 145.2 -2.0 -11.3 12.8 94 100 A G E -ce 31 120B 1 25,-1.8 27,-2.4 -2,-0.3 2,-0.7 -0.866 49.9-120.0 178.0 151.1 -1.2 -7.8 11.5 95 101 A N E -ce 32 121B 20 -64,-0.6 -62,-3.1 -62,-0.5 27,-0.2 -0.899 49.2-145.6 -89.9 109.1 0.7 -5.3 9.5 96 102 A L - 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