==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-OCT-10 3P9N . COMPND 2 MOLECULE: POSSIBLE METHYLTRANSFERASE (METHYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.KUMAR,K.MALHOTRA,K.SAIGAL,K.M.SINHA,B.TANEJA . 182 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 11.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.5 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 A S 0 0 83 0, 0.0 16,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 171.0 -13.5 27.1 4.3 2 1 A M E -A 16 0A 77 14,-0.2 2,-0.2 12,-0.0 14,-0.2 -0.931 360.0-176.1-127.9 149.7 -12.9 23.4 4.8 3 2 A T E -A 15 0A 22 12,-2.8 12,-2.6 -2,-0.3 2,-0.4 -0.773 24.4-113.5-128.0-173.7 -13.9 20.7 7.3 4 3 A R E -A 14 0A 125 -2,-0.2 2,-0.3 10,-0.2 10,-0.2 -0.949 18.3-114.4-125.4 145.0 -13.0 17.0 7.7 5 4 A I - 0 0 1 8,-2.6 7,-3.7 -2,-0.4 3,-0.1 -0.590 31.1-155.4 -63.5 132.6 -14.8 13.7 7.4 6 5 A I + 0 0 53 -2,-0.3 2,-0.2 5,-0.2 -1,-0.1 0.949 57.6 3.5 -80.3 -53.7 -14.6 12.3 11.0 7 6 A G S S+ 0 0 15 4,-0.2 3,-0.4 3,-0.0 -1,-0.1 -0.655 86.2 47.0-133.5-179.8 -14.9 8.6 10.6 8 7 A G S > S- 0 0 45 -2,-0.2 3,-2.4 1,-0.2 55,-0.2 -0.210 103.1 -33.6 79.5-170.6 -15.2 5.6 8.3 9 8 A V T 3 S+ 0 0 122 53,-1.9 -1,-0.2 1,-0.3 54,-0.1 0.721 143.9 41.1 -59.0 -26.9 -13.1 4.7 5.2 10 9 A A T > S+ 0 0 8 -3,-0.4 3,-2.3 49,-0.1 -1,-0.3 0.179 82.7 150.3-104.4 14.9 -12.7 8.4 4.2 11 10 A G T < + 0 0 38 -3,-2.4 -5,-0.2 1,-0.3 -4,-0.2 -0.231 67.8 22.1 -52.2 131.6 -12.1 9.5 7.8 12 11 A G T 3 S+ 0 0 35 -7,-3.7 2,-0.3 1,-0.3 -1,-0.3 0.303 86.2 139.6 92.7 -6.9 -9.8 12.6 7.8 13 12 A R < - 0 0 132 -3,-2.3 -8,-2.6 -9,-0.1 -1,-0.3 -0.530 52.6-122.7 -72.7 130.9 -10.6 13.7 4.2 14 13 A R E -A 4 0A 135 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.525 30.1-172.6 -73.7 139.8 -11.0 17.4 3.7 15 14 A I E -A 3 0A 0 -12,-2.6 -12,-2.8 -2,-0.2 2,-0.1 -0.985 22.9-112.9-134.4 146.2 -14.3 18.8 2.3 16 15 A A E -A 2 0A 19 -2,-0.4 -14,-0.2 64,-0.2 39,-0.1 -0.392 21.8-152.3 -73.1 146.6 -15.4 22.2 1.2 17 16 A V - 0 0 38 -16,-2.3 3,-0.2 -2,-0.1 36,-0.1 -0.986 15.9-128.3-119.1 131.8 -18.0 24.2 3.0 18 17 A P - 0 0 17 0, 0.0 2,-1.2 0, 0.0 3,-0.2 -0.192 66.2 -40.8 -67.5 168.9 -20.2 26.8 1.2 19 18 A P S S- 0 0 127 0, 0.0 58,-0.0 0, 0.0 0, 0.0 -0.035 100.6 -79.5 -34.1 74.1 -20.6 30.5 2.5 20 19 A R - 0 0 177 -2,-1.2 -3,-0.0 -3,-0.2 0, 0.0 0.824 40.8-173.1 25.9 124.5 -20.9 29.5 6.3 21 20 A G 0 0 75 1,-0.6 100,-0.3 -3,-0.2 -1,-0.0 0.911 360.0 360.0 -69.2 -54.9 -23.9 28.2 8.3 22 21 A T 0 0 163 0, 0.0 -1,-0.6 0, 0.0 -2,-0.1 -0.898 360.0 360.0 -86.3 360.0 -22.1 28.5 10.6 23 ! 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 24 25 A T > 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.0 -18.9 21.8 14.3 25 26 A D H > + 0 0 81 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.960 360.0 51.8 -56.3 -50.9 -16.8 18.8 14.4 26 27 A R H > S+ 0 0 166 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 109.7 49.0 -59.1 -40.5 -18.2 17.9 17.8 27 28 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.942 118.2 39.2 -61.5 -48.9 -21.8 18.1 16.6 28 29 A R H X S+ 0 0 16 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.916 116.8 50.5 -68.9 -44.0 -21.1 15.9 13.5 29 30 A E H X S+ 0 0 83 -4,-3.7 4,-1.7 -5,-0.2 -2,-0.2 0.926 115.5 43.5 -54.6 -49.1 -18.9 13.6 15.5 30 31 A S H X S+ 0 0 12 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.856 107.1 58.8 -70.6 -39.7 -21.5 13.2 18.1 31 32 A L H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.928 110.7 42.4 -52.7 -49.1 -24.4 12.8 15.7 32 33 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.838 109.7 59.1 -74.3 -29.2 -22.8 9.8 14.1 33 34 A N H X S+ 0 0 84 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.933 111.4 40.2 -52.4 -55.3 -21.8 8.4 17.5 34 35 A I H X S+ 0 0 13 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.813 117.7 47.4 -64.3 -42.6 -25.4 8.4 18.6 35 36 A V H >X S+ 0 0 1 -4,-2.0 4,-0.9 -5,-0.2 3,-0.7 0.966 118.0 39.7 -69.2 -49.9 -26.8 7.1 15.3 36 37 A T H 3< S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.735 103.4 68.3 -75.1 -21.0 -24.3 4.3 14.9 37 38 A A H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.949 118.6 26.1 -56.0 -35.9 -24.4 3.5 18.6 38 39 A R H << S+ 0 0 111 -4,-1.0 2,-0.3 -3,-0.7 -2,-0.2 0.374 124.9 37.1-110.4 -8.9 -27.9 2.4 17.6 39 40 A R S < S- 0 0 69 -4,-0.9 2,-0.6 -5,-0.0 -1,-0.1 -0.990 71.4-124.1-145.9 144.3 -28.0 1.4 13.9 40 41 A D - 0 0 115 -2,-0.3 -4,-0.1 1,-0.1 24,-0.1 -0.853 18.7-157.4 -85.6 120.3 -25.6 -0.3 11.6 41 42 A L > + 0 0 5 -2,-0.6 3,-2.3 22,-0.2 25,-0.3 0.649 54.9 118.0 -73.6 -15.4 -24.9 2.1 8.7 42 43 A T T 3 S- 0 0 92 1,-0.3 23,-0.2 23,-0.1 -2,-0.1 -0.346 89.7 -0.9 -59.1 124.5 -23.8 -0.7 6.4 43 44 A G T 3 S+ 0 0 51 21,-1.8 -1,-0.3 1,-0.2 22,-0.2 0.412 98.8 142.9 77.7 1.7 -26.1 -1.0 3.4 44 45 A L < - 0 0 31 -3,-2.3 22,-1.8 20,-0.2 23,-1.6 -0.426 47.6-132.3 -80.1 150.8 -28.4 1.8 4.6 45 46 A A E -b 67 0B 17 21,-0.2 68,-2.8 20,-0.2 69,-1.5 -0.806 27.6-164.6 -98.8 139.0 -30.1 4.4 2.4 46 47 A V E -bc 68 114B 2 21,-2.0 23,-2.5 -2,-0.4 2,-0.5 -0.957 17.3-156.1-131.4 139.6 -29.7 8.0 3.5 47 48 A L E -bc 69 115B 0 67,-2.8 69,-2.9 -2,-0.4 2,-0.6 -0.986 8.7-165.0-111.9 128.0 -31.4 11.2 2.7 48 49 A D E > -bc 70 116B 1 21,-3.2 23,-3.0 -2,-0.5 3,-0.6 -0.895 12.9-162.7-114.7 100.2 -29.4 14.5 3.4 49 50 A L E 3 S+bc 71 117B 1 67,-3.2 69,-1.5 -2,-0.6 23,-0.1 -0.660 71.6 3.9 -90.9 140.9 -31.8 17.5 3.3 50 51 A Y T 3 S- 0 0 29 21,-1.1 -1,-0.3 -2,-0.3 22,-0.2 0.935 84.9-178.8 53.9 48.4 -30.6 21.1 2.9 51 52 A A X + 0 0 7 20,-2.1 3,-2.5 -3,-0.6 2,-0.8 0.725 7.6 173.0 -62.7 -31.5 -27.3 19.4 2.5 52 53 A G T 3 S+ 0 0 14 1,-0.3 29,-0.4 19,-0.2 -1,-0.2 -0.424 80.6 6.4 68.4-103.2 -25.1 22.5 2.1 53 54 A S T 3 S- 0 0 16 -2,-0.8 -1,-0.3 27,-0.1 31,-0.1 0.638 98.2-125.4 -79.9 -18.4 -21.5 21.1 2.1 54 55 A G <> + 0 0 0 -3,-2.5 4,-2.7 -4,-0.1 5,-0.3 0.479 66.0 139.7 80.5 4.5 -22.9 17.5 2.1 55 56 A A H > + 0 0 7 -4,-0.3 4,-2.1 1,-0.2 5,-0.1 0.852 67.2 48.7 -49.4 -40.9 -20.8 16.8 5.3 56 57 A L H > S+ 0 0 16 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.971 115.6 39.2 -68.1 -52.7 -23.6 14.8 6.9 57 58 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.875 116.1 53.6 -67.3 -32.1 -24.5 12.5 4.1 58 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.911 105.8 52.3 -69.2 -37.0 -20.8 12.2 3.1 59 60 A E H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.926 109.8 50.9 -58.2 -43.9 -20.0 11.1 6.7 60 61 A A H <>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 -2,-0.2 0.928 110.2 48.2 -60.9 -45.8 -22.7 8.5 6.3 61 62 A L H ><5S+ 0 0 10 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.932 108.5 54.1 -61.6 -45.6 -21.2 7.2 3.1 62 63 A S H 3<5S+ 0 0 2 -4,-2.9 -53,-1.9 1,-0.3 -1,-0.2 0.863 106.3 53.7 -52.9 -38.0 -17.8 7.1 4.6 63 64 A R T 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -55,-0.2 -22,-0.2 0.304 133.2 -84.1 -91.3 13.2 -19.2 4.9 7.4 64 65 A G T < 5 + 0 0 34 -3,-1.8 -21,-1.8 1,-0.3 -3,-0.2 0.482 68.7 158.5 107.2 9.4 -20.7 2.4 4.9 65 66 A A < - 0 0 10 -5,-2.2 -1,-0.3 -23,-0.2 -20,-0.2 -0.334 38.6-140.1 -56.4 144.6 -24.1 3.7 3.8 66 67 A A S S+ 0 0 54 -22,-1.8 2,-0.3 -25,-0.3 -21,-0.2 0.820 77.5 1.5 -76.4 -35.4 -25.2 2.1 0.5 67 68 A S E -b 45 0B 50 -23,-1.6 -21,-2.0 2,-0.0 2,-0.4 -0.997 54.3-163.2-154.2 149.9 -26.6 5.4 -0.9 68 69 A V E -bd 46 93B 2 24,-2.5 26,-2.8 -2,-0.3 2,-0.7 -0.982 7.5-158.2-134.4 127.4 -27.1 9.0 -0.1 69 70 A L E -bd 47 94B 34 -23,-2.5 -21,-3.2 -2,-0.4 2,-0.5 -0.919 15.4-158.3 -99.9 115.4 -29.5 11.4 -1.8 70 71 A F E -bd 48 95B 0 24,-3.0 26,-3.5 -2,-0.7 2,-0.5 -0.827 5.7-166.8 -91.9 126.4 -28.3 15.0 -1.2 71 72 A V E +bd 49 96B 0 -23,-3.0 -20,-2.1 -2,-0.5 -21,-1.1 -0.972 18.4 156.8-119.0 124.3 -31.0 17.6 -1.7 72 73 A E E - d 0 97B 18 24,-1.7 26,-1.4 -2,-0.5 -2,-0.0 -0.996 30.2-161.6-152.5 133.5 -29.8 21.2 -1.9 73 74 A S + 0 0 67 -2,-0.3 2,-0.5 24,-0.2 26,-0.1 0.784 69.3 84.8 -90.7 -29.0 -31.4 24.3 -3.4 74 75 A D > - 0 0 73 1,-0.1 4,-2.8 24,-0.1 5,-0.2 -0.637 66.6-149.8 -84.5 123.5 -28.4 26.6 -3.7 75 76 A Q H > S+ 0 0 133 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.857 97.8 50.0 -62.3 -39.5 -26.5 26.0 -7.0 76 77 A R H > S+ 0 0 195 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.7 47.9 -62.8 -41.5 -23.1 27.1 -5.5 77 78 A S H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.915 108.9 53.9 -64.3 -42.6 -23.7 24.8 -2.6 78 79 A A H X S+ 0 0 8 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.904 106.7 52.3 -54.2 -44.6 -24.7 22.0 -5.0 79 80 A A H X S+ 0 0 62 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.889 109.1 50.0 -59.6 -42.2 -21.3 22.5 -6.8 80 81 A V H X S+ 0 0 30 -4,-1.8 4,-2.5 2,-0.2 -64,-0.2 0.931 109.3 51.0 -61.5 -45.3 -19.5 22.2 -3.5 81 82 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 -29,-0.4 -2,-0.2 0.930 111.3 48.3 -58.6 -45.3 -21.4 19.0 -2.7 82 83 A A H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.932 110.8 49.9 -62.4 -46.8 -20.4 17.6 -6.1 83 84 A R H X S+ 0 0 102 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.901 111.5 50.4 -57.7 -40.1 -16.8 18.5 -5.7 84 85 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.880 106.9 52.4 -67.6 -37.9 -16.9 16.8 -2.3 85 86 A I H X>S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 5,-0.6 0.926 112.4 47.8 -61.5 -44.2 -18.4 13.6 -3.6 86 87 A E H <5S+ 0 0 155 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.914 109.5 52.1 -59.8 -45.3 -15.6 13.6 -6.1 87 88 A A H <5S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 113.0 44.0 -60.7 -41.8 -13.0 14.3 -3.4 88 89 A L H <5S- 0 0 14 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.881 92.0-155.3 -70.2 -36.3 -14.3 11.3 -1.3 89 90 A G T <5 + 0 0 62 -4,-2.3 2,-0.3 1,-0.2 -3,-0.1 0.775 40.1 142.6 66.1 27.4 -14.5 9.1 -4.4 90 91 A L < - 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