==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JAN-08 3BXO . COMPND 2 MOLECULE: N,N-DIMETHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR H.M.HOLDEN,E.S.BURGIE . 474 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 19.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 0 0 0 0 6 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 . 0 0 2 0 0 2 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 2 A Y 0 0 94 0, 0.0 2,-0.2 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 115.0 1.4 -12.7 41.9 2 3 A E - 0 0 148 189,-0.1 2,-0.3 187,-0.0 189,-0.0 -0.582 360.0-176.8 -96.2 152.8 1.1 -12.3 38.2 3 4 A V - 0 0 20 -2,-0.2 2,-0.7 189,-0.1 189,-0.0 -0.988 31.2-115.8-143.6 145.3 1.4 -9.3 35.9 4 5 A D > - 0 0 64 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.714 24.4-150.4 -83.8 111.7 0.9 -8.8 32.1 5 6 A H H > S+ 0 0 77 -2,-0.7 4,-3.4 1,-0.2 5,-0.2 0.930 92.0 46.1 -50.1 -56.6 4.3 -7.9 30.6 6 7 A A H > S+ 0 0 1 1,-0.3 4,-3.0 2,-0.3 -1,-0.2 0.881 112.7 52.5 -54.6 -40.2 3.2 -5.8 27.6 7 8 A D H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.887 110.2 49.7 -63.7 -36.5 0.8 -3.9 29.9 8 9 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.3 0.938 110.4 48.5 -68.0 -47.8 3.8 -3.4 32.2 9 10 A Y H X S+ 0 0 59 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.917 112.5 51.0 -59.0 -41.1 5.9 -2.1 29.2 10 11 A D H X S+ 0 0 34 -4,-3.0 4,-1.8 -5,-0.2 5,-0.2 0.967 110.9 44.6 -61.7 -52.2 2.9 0.2 28.3 11 12 A L H X S+ 0 0 18 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.921 113.0 54.6 -59.2 -41.2 2.5 1.7 31.7 12 13 A F H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.963 108.6 43.8 -57.8 -56.3 6.3 2.2 32.0 13 14 A Y H X>S+ 0 0 39 -4,-2.2 5,-2.5 2,-0.2 4,-0.7 0.829 115.7 50.4 -61.9 -28.0 6.9 4.1 28.8 14 15 A L H ><5S+ 0 0 76 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.960 115.1 41.9 -71.2 -50.4 3.8 6.3 29.5 15 16 A G H 3<5S+ 0 0 28 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.841 108.4 61.9 -63.6 -32.1 5.0 7.0 33.0 16 17 A R H 3<5S- 0 0 99 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.762 119.5-111.1 -65.6 -22.4 8.5 7.4 31.7 17 18 A G T <<5 + 0 0 54 -3,-0.9 2,-0.3 -4,-0.7 -3,-0.2 0.516 62.4 154.9 106.8 1.7 7.2 10.3 29.6 18 19 A K < - 0 0 26 -5,-2.5 2,-0.8 -6,-0.2 -1,-0.3 -0.503 34.0-150.3 -65.2 127.9 7.5 8.7 26.2 19 20 A D > + 0 0 83 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.776 22.5 176.5-109.0 91.7 4.9 10.7 24.3 20 21 A Y H > S+ 0 0 15 -2,-0.8 4,-3.4 1,-0.2 5,-0.2 0.801 79.9 55.7 -57.8 -36.1 3.5 8.5 21.5 21 22 A A H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.961 111.1 41.6 -63.3 -55.7 0.9 11.2 20.5 22 23 A A H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 116.9 50.8 -61.6 -41.0 3.5 13.9 19.9 23 24 A E H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.960 109.8 49.1 -61.9 -49.1 5.7 11.3 18.3 24 25 A A H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.923 112.2 49.3 -56.7 -43.7 2.9 10.2 16.0 25 26 A S H X S+ 0 0 42 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.913 108.5 50.3 -64.3 -44.8 2.1 13.8 15.1 26 27 A D H X S+ 0 0 106 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.912 112.2 49.2 -60.2 -42.5 5.7 14.8 14.2 27 28 A I H X S+ 0 0 4 -4,-2.3 4,-4.1 -5,-0.2 -1,-0.2 0.926 107.4 54.5 -62.4 -43.7 6.0 11.7 12.0 28 29 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.929 111.2 45.2 -58.7 -44.1 2.7 12.6 10.2 29 30 A D H X S+ 0 0 83 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.898 112.6 51.2 -63.5 -41.1 4.1 16.0 9.4 30 31 A L H X S+ 0 0 27 -4,-2.4 4,-0.7 2,-0.2 5,-0.2 0.960 111.5 48.6 -57.4 -51.4 7.3 14.4 8.4 31 32 A V H >X S+ 0 0 0 -4,-4.1 4,-2.2 1,-0.2 3,-1.5 0.944 111.2 48.4 -55.7 -49.3 5.3 12.2 6.2 32 33 A R H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 100.2 67.8 -61.6 -33.0 3.3 15.1 4.7 33 34 A S H 3< S+ 0 0 70 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.696 116.1 24.7 -58.3 -23.2 6.5 17.0 4.0 34 35 A R H << S+ 0 0 86 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.594 136.5 31.6-114.1 -24.2 7.5 14.4 1.4 35 36 A T >< + 0 0 11 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 -0.742 65.7 176.8-138.5 82.4 4.0 13.1 0.4 36 37 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.793 81.9 51.9 -61.5 -29.1 1.5 15.9 0.8 37 38 A E T 3 S+ 0 0 179 -3,-0.1 -5,-0.1 -5,-0.1 62,-0.1 0.384 78.4 153.6 -93.4 15.1 -1.3 13.9 -0.4 38 39 A A < + 0 0 13 -3,-1.9 3,-0.1 1,-0.1 -6,-0.0 -0.092 8.3 162.0 -41.1 127.1 -0.6 11.1 2.0 39 40 A S + 0 0 67 1,-0.2 22,-0.7 22,-0.1 2,-0.3 0.338 55.6 34.1-133.8 2.3 -3.9 9.2 2.8 40 41 A S E -a 61 0A 1 20,-0.1 60,-1.5 2,-0.0 2,-0.3 -0.986 59.9-164.9-153.7 155.1 -2.9 5.8 4.3 41 42 A L E -ab 62 100A 0 20,-2.1 22,-1.8 -2,-0.3 2,-0.5 -0.992 10.0-151.6-152.4 142.0 -0.2 4.5 6.5 42 43 A L E -ab 63 101A 0 58,-2.5 60,-3.1 -2,-0.3 2,-0.8 -0.958 8.7-154.6-114.8 126.4 1.3 1.2 7.6 43 44 A D E > -ab 64 102A 0 20,-2.5 22,-2.5 -2,-0.5 3,-0.8 -0.887 12.4-155.2-105.2 106.4 3.0 0.7 11.0 44 45 A V E 3 S+a 65 0A 0 58,-2.8 60,-0.5 -2,-0.8 22,-0.2 -0.672 80.5 5.9 -83.5 130.9 5.4 -2.1 10.8 45 46 A A T 3 S+ 0 0 3 20,-1.7 -1,-0.3 -2,-0.4 21,-0.2 0.940 80.5 174.8 58.5 48.3 6.1 -3.8 14.2 46 47 A C X - 0 0 2 19,-1.8 3,-2.2 -3,-0.8 4,-0.3 0.510 15.6-163.5 -62.3 -8.7 3.4 -1.6 15.6 47 48 A G T 3 - 0 0 0 18,-0.3 28,-0.3 1,-0.3 -1,-0.2 -0.342 69.7 -11.2 60.0-125.6 3.7 -3.3 19.0 48 49 A T T 3 S- 0 0 6 427,-0.2 -1,-0.3 26,-0.1 30,-0.1 0.285 101.7-110.4 -88.2 9.8 0.6 -2.6 21.2 49 50 A G S <> S+ 0 0 0 -3,-2.2 4,-2.8 3,-0.1 -2,-0.1 0.646 71.0 139.2 75.6 17.0 -0.5 0.1 18.7 50 51 A T H > S+ 0 0 18 -4,-0.3 4,-1.2 2,-0.2 5,-0.2 0.955 82.5 38.1 -62.3 -49.4 -0.0 3.3 20.6 51 52 A H H > S+ 0 0 0 -5,-0.3 4,-3.1 1,-0.2 5,-0.3 0.948 113.2 60.3 -66.4 -42.5 1.4 5.2 17.6 52 53 A L H > S+ 0 0 0 -6,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.881 97.9 58.0 -49.7 -40.1 -1.1 3.4 15.4 53 54 A E H X S+ 0 0 82 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.968 113.4 37.5 -52.7 -57.2 -4.0 4.8 17.3 54 55 A H H X S+ 0 0 55 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.824 113.7 55.2 -64.0 -36.3 -2.8 8.4 16.6 55 56 A F H X>S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.5 0.901 104.1 56.9 -67.0 -35.0 -1.7 7.6 13.1 56 57 A T H X5S+ 0 0 45 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.922 107.7 46.4 -61.1 -40.7 -5.3 6.3 12.6 57 58 A K H <5S+ 0 0 191 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.855 114.1 50.3 -68.5 -32.8 -6.6 9.7 13.6 58 59 A E H <5S+ 0 0 67 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.962 132.0 8.7 -69.1 -51.0 -4.1 11.4 11.3 59 60 A F H <5S- 0 0 22 -4,-2.9 2,-2.7 -5,-0.1 -3,-0.2 0.527 78.1-150.9-109.5 -9.6 -4.7 9.4 8.1 60 61 A G S < - 0 0 33 1,-0.2 4,-2.4 19,-0.1 5,-0.1 -0.586 62.2-159.5 -81.8 127.6 4.3 -11.1 17.9 69 70 A E H > S+ 0 0 110 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.876 95.9 53.6 -69.4 -35.8 0.8 -12.5 18.6 70 71 A D H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.887 108.0 49.0 -66.9 -36.6 0.9 -11.2 22.1 71 72 A M H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.970 112.2 51.9 -63.4 -48.7 1.7 -7.7 20.8 72 73 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.871 105.1 53.5 -52.8 -45.7 -1.2 -8.3 18.4 73 74 A T H X S+ 0 0 51 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.925 112.2 44.9 -60.1 -40.9 -3.7 -9.3 21.1 74 75 A H H X S+ 0 0 19 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.905 110.7 53.9 -71.5 -36.0 -2.9 -6.1 23.0 75 76 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -28,-0.3 -1,-0.2 0.861 110.1 47.8 -63.4 -39.0 -3.1 -4.0 19.9 76 77 A R H < S+ 0 0 125 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.915 107.9 54.2 -70.1 -41.9 -6.5 -5.4 19.2 77 78 A K H < S+ 0 0 154 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 115.5 40.6 -58.3 -41.5 -7.7 -4.8 22.7 78 79 A R H < S+ 0 0 75 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 130.6 27.5 -73.9 -36.9 -6.7 -1.1 22.3 79 80 A L >< + 0 0 24 -4,-2.8 3,-1.7 -5,-0.2 -1,-0.3 -0.694 64.2 174.2-127.9 80.9 -8.0 -0.9 18.7 80 81 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.753 84.6 43.4 -58.8 -23.6 -10.8 -3.3 18.1 81 82 A D T 3 S+ 0 0 154 2,-0.1 2,-0.1 -5,-0.1 -5,-0.1 0.306 87.0 116.1-106.3 10.8 -11.4 -1.8 14.6 82 83 A A < - 0 0 26 -3,-1.7 2,-0.8 -7,-0.2 -19,-0.1 -0.480 69.7-119.9 -77.0 153.0 -7.9 -1.5 13.5 83 84 A T E +c 63 0A 78 -21,-0.6 -19,-2.6 -2,-0.1 2,-0.4 -0.826 44.3 176.2 -92.5 111.8 -6.6 -3.6 10.5 84 85 A L E -c 64 0A 41 -2,-0.8 2,-0.4 -21,-0.2 -19,-0.2 -0.950 15.5-163.4-125.5 142.3 -3.8 -5.7 11.9 85 86 A H E -c 65 0A 57 -21,-3.3 -19,-2.2 -2,-0.4 2,-0.4 -0.950 16.0-139.9-125.1 145.4 -1.6 -8.3 10.5 86 87 A Q E +c 66 0A 105 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.747 55.7 106.0 -92.3 144.5 0.6 -11.0 11.9 87 88 A G - 0 0 12 -21,-1.6 2,-0.5 -2,-0.4 -19,-0.1 -0.926 67.7 -84.5 164.4 172.5 3.8 -11.3 9.9 88 89 A D >> - 0 0 28 -2,-0.3 4,-1.4 1,-0.1 3,-1.4 -0.903 24.7-140.1-106.0 128.1 7.5 -10.6 9.5 89 90 A M T 34 S+ 0 0 9 -2,-0.5 34,-0.2 1,-0.3 -1,-0.1 0.794 99.6 73.3 -57.2 -24.1 8.7 -7.3 8.3 90 91 A R T 34 S- 0 0 92 1,-0.2 -1,-0.3 33,-0.1 33,-0.2 0.882 121.1 -4.9 -55.9 -44.8 11.2 -9.3 6.4 91 92 A D T <4 S+ 0 0 109 -3,-1.4 -2,-0.2 31,-0.1 -1,-0.2 0.210 83.5 144.9-145.4 25.9 8.8 -10.7 3.8 92 93 A F < - 0 0 11 -4,-1.4 2,-0.3 28,-0.0 -5,-0.1 -0.245 27.7-160.7 -67.3 157.6 5.2 -9.8 4.4 93 94 A R + 0 0 178 1,-0.1 -1,-0.0 34,-0.0 -2,-0.0 -0.941 13.3 175.1-141.6 110.1 2.7 -9.2 1.5 94 95 A L - 0 0 36 -2,-0.3 3,-0.1 2,-0.3 -1,-0.1 0.544 41.9-124.9 -95.9 -9.1 -0.5 -7.3 2.3 95 96 A G S S+ 0 0 85 1,-0.3 2,-0.3 0, 0.0 32,-0.0 0.718 82.0 70.2 72.0 22.3 -1.9 -7.1 -1.3 96 97 A R S S- 0 0 82 2,-0.0 -2,-0.3 33,-0.0 2,-0.3 -0.945 70.5-128.1-156.8 172.5 -2.2 -3.3 -1.1 97 98 A K - 0 0 96 -2,-0.3 2,-0.3 -3,-0.1 31,-0.2 -0.796 15.0-154.3-124.3 166.8 -0.1 -0.2 -0.9 98 99 A F E - d 0 128A 0 29,-3.0 31,-3.0 -2,-0.3 -57,-0.1 -0.964 27.4-124.0-141.0 155.4 0.0 2.8 1.4 99 100 A S E S+ 0 0 1 -2,-0.3 34,-1.9 1,-0.2 2,-0.4 0.876 101.1 25.1 -66.7 -37.0 1.1 6.4 1.1 100 101 A A E -bd 41 133A 0 -60,-1.5 -58,-2.5 32,-0.2 2,-0.5 -0.992 58.9-169.7-137.1 143.1 3.4 5.8 4.0 101 102 A V E +bd 42 134A 0 32,-1.7 34,-2.1 -2,-0.4 2,-0.4 -0.989 21.6 176.7-125.5 119.2 5.2 2.9 5.6 102 103 A V E -bd 43 135A 0 -60,-3.1 -58,-2.8 -2,-0.5 2,-0.4 -0.939 22.0-165.6-128.9 151.0 6.8 3.6 8.9 103 104 A S E - d 0 136A 0 32,-2.3 34,-2.8 -2,-0.4 3,-0.3 -0.961 22.6-167.7-133.1 112.7 8.7 1.5 11.6 104 105 A M > + 0 0 0 -60,-0.5 3,-0.8 -2,-0.4 32,-0.0 -0.642 54.2 26.3-103.4 163.9 9.1 3.2 15.0 105 106 A F T 3 S- 0 0 21 -2,-0.2 -1,-0.2 1,-0.2 34,-0.1 0.815 118.8 -67.8 58.2 38.5 11.1 2.7 18.1 106 107 A S T > S+ 0 0 3 31,-0.8 3,-1.6 -3,-0.3 4,-0.2 0.684 81.6 147.9 62.8 25.2 14.0 0.8 16.5 107 108 A S G X + 0 0 0 -3,-0.8 3,-2.0 1,-0.3 -1,-0.1 0.795 65.2 63.1 -58.8 -34.5 12.2 -2.4 15.6 108 109 A V G > S+ 0 0 0 29,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.626 87.3 76.3 -65.7 -14.5 14.3 -3.1 12.4 109 110 A G G < S+ 0 0 0 -3,-1.6 91,-2.7 1,-0.3 -1,-0.3 0.675 81.5 67.5 -69.4 -19.7 17.2 -3.4 14.9 110 111 A Y G < S+ 0 0 61 -3,-2.0 2,-0.4 -4,-0.2 -1,-0.3 0.473 78.8 102.3 -80.0 0.7 15.8 -6.8 15.7 111 112 A L < - 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