==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-13 4J07 . COMPND 2 MOLECULE: 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM LEPRAE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 743 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 581 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 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 . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 0 3 1 1 0 5 0 0 0 0 0 0 0 5 0 2 7 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 7 0 0 5 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 8 A P 0 0 172 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.7 20.4 70.2 35.6 2 9 A E + 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.798 360.0 168.8 -91.0 127.3 20.5 73.5 33.7 3 10 A V - 0 0 115 -2,-0.5 0, 0.0 0, 0.0 0, 0.0 -0.998 40.1-101.7-139.8 136.0 23.9 75.0 33.4 4 11 A P - 0 0 123 0, 0.0 3,-0.1 0, 0.0 2,-0.0 -0.190 43.6-115.5 -60.4 152.1 25.0 77.9 31.1 5 12 A G - 0 0 68 1,-0.1 2,-0.2 33,-0.1 34,-0.0 -0.249 34.2 -81.3 -83.5 175.4 26.8 76.9 27.9 6 13 A I - 0 0 45 29,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.513 35.6-140.3 -68.9 134.4 30.3 77.6 26.8 7 14 A D + 0 0 115 -2,-0.2 3,-0.2 1,-0.1 33,-0.2 -0.828 41.0 151.1 -99.5 100.2 30.7 81.0 25.2 8 15 A A > + 0 0 0 31,-2.6 3,-2.2 -2,-0.9 32,-0.2 0.074 23.2 124.1-113.2 24.1 33.1 80.4 22.3 9 16 A S T 3 S+ 0 0 76 30,-0.3 -1,-0.1 1,-0.3 31,-0.1 0.764 72.3 57.3 -55.9 -30.6 32.0 83.2 19.9 10 17 A G T 3 S+ 0 0 73 -3,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.443 94.1 91.3 -78.4 2.1 35.5 84.5 19.7 11 18 A L < - 0 0 20 -3,-2.2 2,-0.6 55,-0.0 -3,-0.1 -0.703 69.8-135.0-106.3 149.5 37.0 81.2 18.4 12 19 A R - 0 0 134 -2,-0.3 55,-2.4 32,-0.0 56,-1.0 -0.894 29.8-163.9 -96.1 122.4 37.5 79.8 15.0 13 20 A L E -a 68 0A 3 -2,-0.6 32,-2.3 53,-0.2 2,-0.4 -0.947 9.0-163.7-114.4 133.5 36.3 76.1 14.9 14 21 A G E -ab 69 45A 0 54,-2.6 56,-2.9 -2,-0.5 2,-0.4 -0.877 3.0-168.2-109.4 145.4 37.1 73.4 12.4 15 22 A I E -ab 70 46A 0 30,-2.6 32,-2.8 -2,-0.4 2,-0.5 -0.998 4.2-173.8-133.6 125.6 35.2 70.1 12.0 16 23 A V E -ab 71 47A 0 54,-2.8 56,-2.7 -2,-0.4 2,-0.4 -0.985 9.2-179.4-119.8 119.3 36.3 67.2 9.9 17 24 A A E -ab 72 48A 0 30,-2.5 32,-1.7 -2,-0.5 56,-0.2 -0.971 17.7-140.4-121.2 132.1 33.9 64.2 9.5 18 25 A S - 0 0 0 54,-2.4 32,-0.2 -2,-0.4 33,-0.2 -0.064 6.9-143.2 -76.0-175.3 34.5 61.0 7.6 19 26 A T + 0 0 52 31,-2.1 3,-0.3 30,-0.1 32,-0.2 0.614 59.7 111.0-129.2 -29.1 31.8 59.4 5.4 20 27 A W S S+ 0 0 123 30,-2.4 54,-0.4 1,-0.2 5,-0.1 -0.380 95.0 20.0 -58.1 128.8 32.2 55.6 5.8 21 28 A H S >> S- 0 0 78 -2,-0.1 4,-2.1 3,-0.1 3,-1.0 0.948 92.0-171.9 68.4 58.7 29.1 54.4 7.7 22 29 A S H 3> S+ 0 0 48 -3,-0.3 4,-3.4 1,-0.3 5,-0.2 0.718 71.0 57.5 -65.1 -32.8 27.5 57.7 6.7 23 30 A R H 3> S+ 0 0 146 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.886 113.9 43.2 -68.2 -29.0 24.3 57.8 8.8 24 31 A I H <> S+ 0 0 0 -3,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.941 115.1 48.0 -77.0 -47.0 26.5 57.5 11.8 25 32 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.898 111.0 51.3 -56.8 -45.4 29.1 60.0 10.6 26 33 A D H X S+ 0 0 75 -4,-3.4 4,-2.3 1,-0.2 -1,-0.2 0.868 108.8 52.1 -60.6 -37.8 26.3 62.5 9.7 27 34 A A H X S+ 0 0 13 -4,-1.2 4,-2.3 -5,-0.2 -2,-0.2 0.878 108.2 50.1 -68.4 -38.1 24.8 62.1 13.2 28 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.879 111.3 49.9 -61.9 -42.7 28.1 62.8 14.9 29 36 A L H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.907 109.2 50.8 -64.9 -41.0 28.5 65.9 12.7 30 37 A A H X S+ 0 0 58 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.944 110.6 48.6 -66.2 -43.0 25.0 67.1 13.6 31 38 A G H X S+ 0 0 8 -4,-2.3 4,-1.7 91,-0.3 -1,-0.2 0.877 113.0 48.4 -60.9 -38.4 25.7 66.7 17.4 32 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.877 110.8 50.7 -67.7 -38.9 29.0 68.6 17.0 33 40 A R H X S+ 0 0 111 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.875 106.7 54.8 -68.0 -40.1 27.3 71.3 15.1 34 41 A K H X S+ 0 0 129 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.932 110.1 45.5 -56.4 -51.0 24.5 71.7 17.7 35 42 A V H X S+ 0 0 25 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.936 111.7 52.6 -63.7 -46.5 27.1 72.2 20.5 36 43 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 2,-0.2 -2,-0.2 0.921 112.9 44.5 -54.9 -45.0 29.1 74.7 18.3 37 44 A A H ><5S+ 0 0 38 -4,-2.6 3,-3.0 1,-0.2 -2,-0.2 0.978 111.0 52.3 -64.7 -55.2 25.9 76.8 17.6 38 45 A D H 3<5S+ 0 0 105 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.830 109.5 53.5 -44.9 -36.6 24.8 76.7 21.2 39 46 A S T 3<5S- 0 0 5 -4,-1.9 -31,-2.6 -5,-0.2 -30,-0.3 0.374 130.7 -91.2 -86.1 2.2 28.3 78.0 22.0 40 47 A G T < 5S+ 0 0 36 -3,-3.0 2,-0.6 -32,-0.2 -3,-0.2 0.580 93.3 112.0 104.8 12.5 28.2 80.9 19.7 41 48 A I < + 0 0 14 -5,-2.9 -2,-0.2 -6,-0.2 -1,-0.1 -0.837 22.8 159.3-125.7 94.7 29.6 79.5 16.5 42 49 A D S S+ 0 0 137 -2,-0.6 -1,-0.1 1,-0.2 -5,-0.1 0.664 73.8 49.4 -86.9 -19.0 27.0 79.2 13.7 43 50 A G + 0 0 71 -7,-0.1 -1,-0.2 -6,-0.1 -30,-0.1 -0.408 68.8 164.7-120.9 58.1 29.6 79.0 10.9 44 51 A P - 0 0 18 0, 0.0 2,-0.6 0, 0.0 -30,-0.2 -0.323 48.7-103.1 -68.5 158.6 32.3 76.5 11.6 45 52 A T E -b 14 0A 51 -32,-2.3 -30,-2.6 17,-0.0 2,-0.5 -0.753 46.0-167.2 -77.0 116.6 34.6 75.3 8.8 46 53 A V E +b 15 0A 42 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.956 10.6 176.6-118.2 127.4 33.2 71.9 8.0 47 54 A V E -b 16 0A 11 -32,-2.8 -30,-2.5 -2,-0.5 2,-0.4 -0.967 15.4-148.2-131.3 140.2 35.0 69.4 5.8 48 55 A R E -b 17 0A 79 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.917 14.5-178.8-112.3 134.3 34.2 65.9 4.8 49 56 A V - 0 0 5 -32,-1.7 -29,-0.1 -2,-0.4 -30,-0.1 -0.768 33.3-114.2-119.1 170.5 36.6 63.0 4.1 50 57 A L S S- 0 0 42 -2,-0.3 -30,-2.4 -32,-0.2 -31,-2.1 0.987 84.3 -8.2 -66.3 -66.4 36.1 59.4 3.0 51 58 A G S > S- 0 0 4 -33,-0.2 3,-1.2 -32,-0.2 4,-0.4 -0.724 76.7 -90.3-128.8-178.6 37.4 57.3 6.0 52 59 A A G > S+ 0 0 8 22,-0.3 3,-1.1 1,-0.3 23,-0.1 0.768 118.5 66.0 -66.8 -27.0 39.1 57.7 9.3 53 60 A I G 3 S+ 0 0 36 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.807 100.7 52.0 -65.8 -29.3 42.5 57.3 7.7 54 61 A E G <> S+ 0 0 15 -3,-1.2 4,-1.1 1,-0.2 -1,-0.3 0.539 91.0 81.8 -82.2 -8.6 41.9 60.6 5.8 55 62 A I H <> S+ 0 0 0 -3,-1.1 4,-3.0 -4,-0.4 3,-0.3 0.930 82.1 56.9 -67.8 -48.1 41.0 62.5 9.0 56 63 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.924 104.6 49.1 -50.8 -52.9 44.5 63.3 10.4 57 64 A V H > S+ 0 0 4 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.843 116.7 43.1 -62.0 -36.1 45.9 65.1 7.3 58 65 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -1,-0.2 0.873 110.0 55.6 -74.7 -39.9 42.8 67.3 7.2 59 66 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.947 108.7 50.3 -56.2 -44.9 42.7 67.8 11.0 60 67 A Q H X S+ 0 0 2 -4,-2.9 4,-1.2 -5,-0.2 -1,-0.2 0.911 108.3 51.4 -57.0 -44.3 46.2 69.1 10.6 61 68 A E H < S+ 0 0 18 -4,-1.5 4,-0.5 1,-0.2 3,-0.4 0.916 115.2 42.6 -60.5 -44.8 45.3 71.5 7.8 62 69 A L H >X S+ 0 0 4 -4,-2.5 3,-1.2 1,-0.2 4,-0.7 0.860 106.9 61.0 -67.9 -36.5 42.4 72.9 9.9 63 70 A A H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.734 95.8 62.1 -68.2 -21.9 44.5 73.1 13.2 64 71 A R T 3< S+ 0 0 120 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.773 118.0 26.2 -73.5 -25.3 47.0 75.5 11.6 65 72 A H T <4 S+ 0 0 110 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.191 114.2 67.0-125.2 9.9 44.3 78.2 11.1 66 73 A H < - 0 0 23 -4,-0.7 -53,-0.2 -3,-0.1 3,-0.1 -0.877 68.8-135.2-128.8 165.2 41.6 77.4 13.8 67 74 A D S S+ 0 0 52 -55,-2.4 2,-0.3 -2,-0.3 -54,-0.2 0.566 92.9 14.3 -94.1 -14.6 41.6 77.6 17.6 68 75 A A E -a 13 0A 0 -56,-1.0 -54,-2.6 35,-0.2 2,-0.4 -0.969 65.1-158.7-159.2 142.4 39.9 74.2 17.9 69 76 A V E -ac 14 105A 0 35,-2.1 37,-3.0 -2,-0.3 2,-0.5 -0.998 6.6-152.0-129.3 139.4 39.3 71.2 15.7 70 77 A V E -ac 15 106A 0 -56,-2.9 -54,-2.8 -2,-0.4 2,-0.5 -0.957 9.3-156.8-110.8 126.2 36.7 68.4 16.0 71 78 A A E -ac 16 107A 0 35,-3.2 37,-3.4 -2,-0.5 2,-0.4 -0.913 17.3-179.4-109.8 121.4 37.5 65.1 14.5 72 79 A L E +ac 17 108A 0 -56,-2.7 -54,-2.4 -2,-0.5 37,-0.3 -0.971 18.1 94.5-128.5 137.3 34.5 62.9 13.7 73 80 A G E - c 0 109A 0 35,-2.0 37,-3.0 -2,-0.4 2,-0.4 -0.966 48.9 -98.2 169.7-172.6 34.0 59.4 12.2 74 81 A V E - c 0 110A 5 -54,-0.4 2,-0.5 -2,-0.3 -22,-0.3 -0.991 16.3-179.5-139.4 126.4 33.5 55.7 12.6 75 82 A V E - c 0 111A 19 35,-2.6 37,-2.5 -2,-0.4 2,-0.5 -0.994 12.7-172.0-119.3 123.9 35.6 52.6 12.5 76 83 A I E - c 0 112A 31 -2,-0.5 37,-0.2 35,-0.2 7,-0.1 -0.954 32.5-108.3-112.0 127.9 33.8 49.3 13.1 77 84 A R + 0 0 85 35,-2.7 2,-0.1 -2,-0.5 38,-0.1 -0.302 43.6 178.1 -52.6 132.3 35.8 46.1 13.5 78 85 A G - 0 0 52 2,-0.4 -1,-0.1 36,-0.1 0, 0.0 0.008 48.6 -58.8-106.3-136.2 35.5 43.8 10.4 79 86 A D S S+ 0 0 109 -2,-0.1 183,-0.1 187,-0.1 -2,-0.1 0.753 107.6 47.3 -83.7 -27.3 37.0 40.5 9.6 80 87 A T S > S- 0 0 16 181,-0.1 3,-0.7 186,-0.1 -2,-0.4 -0.559 91.2 -95.1-119.5 175.0 40.7 41.3 9.8 81 88 A P T >> S+ 0 0 7 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.566 95.7 99.5 -62.6 -12.1 43.4 43.0 12.0 82 89 A H H 3> S+ 0 0 58 178,-0.7 4,-2.6 1,-0.3 5,-0.3 0.874 74.7 60.3 -45.1 -51.8 43.0 46.2 9.8 83 90 A F H <> S+ 0 0 6 -3,-0.7 4,-3.1 1,-0.2 5,-0.3 0.878 103.8 49.6 -37.0 -56.3 40.7 47.8 12.5 84 91 A D H <> S+ 0 0 53 -3,-0.8 4,-2.2 -4,-0.2 -1,-0.2 0.944 114.5 41.9 -58.2 -49.6 43.4 47.6 15.2 85 92 A Y H X S+ 0 0 18 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.887 116.7 48.4 -69.9 -42.2 46.1 49.3 13.1 86 93 A V H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.957 113.2 46.9 -57.1 -58.0 43.8 51.9 11.7 87 94 A C H X S+ 0 0 1 -4,-3.1 4,-2.4 -5,-0.3 5,-0.2 0.902 114.4 47.0 -52.8 -44.3 42.3 52.9 15.0 88 95 A N H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.3 -1,-0.2 0.928 114.8 44.4 -69.4 -45.0 45.7 53.1 16.8 89 96 A S H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.879 114.7 48.7 -69.6 -40.7 47.4 55.1 14.1 90 97 A V H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.937 113.6 45.8 -64.4 -46.5 44.5 57.5 13.7 91 98 A T H X S+ 0 0 7 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.928 114.5 48.7 -62.0 -42.6 44.1 58.1 17.4 92 99 A Q H X S+ 0 0 29 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.910 109.2 55.0 -56.2 -47.9 47.9 58.6 17.7 93 100 A G H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.860 105.7 49.6 -58.4 -40.8 47.8 60.9 14.8 94 101 A L H X S+ 0 0 8 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.873 111.6 50.5 -68.3 -36.2 45.1 63.2 16.4 95 102 A T H X S+ 0 0 24 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.949 108.9 50.7 -64.2 -49.1 47.3 63.3 19.5 96 103 A R H X S+ 0 0 60 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.895 110.1 50.5 -54.6 -44.5 50.4 64.2 17.6 97 104 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 6,-0.3 0.892 105.9 53.5 -65.4 -40.6 48.5 67.1 15.8 98 105 A A H X>S+ 0 0 11 -4,-1.7 5,-1.4 2,-0.2 4,-0.6 0.942 116.1 41.4 -61.7 -43.5 47.1 68.7 18.9 99 106 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.968 113.8 50.6 -68.5 -51.3 50.7 68.8 20.3 100 107 A D H 3<5S+ 0 0 70 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.872 124.7 29.8 -51.3 -44.0 52.4 69.9 17.0 101 108 A T H 3<5S- 0 0 30 -4,-2.9 -1,-0.3 2,-0.2 -2,-0.2 0.337 98.4-131.2-100.4 2.8 49.9 72.8 16.6 102 109 A S T <<5 + 0 0 19 -3,-1.1 -3,-0.2 -4,-0.6 -4,-0.1 0.873 69.9 123.9 41.8 45.0 49.2 73.4 20.3 103 110 A T < - 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