==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-AUG-99 1C41 . COMPND 2 MOLECULE: LUMAZINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MAGNAPORTHE GRISEA; . AUTHOR K.PERSSON,G.SCHNEIDER,D.B.JORDAN,P.V.VIITANEN,T.SANDALOVA . 1650 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1285 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 220 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.1 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 . 10 0.6 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 . 96 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 680 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.5 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 10 0 0 0 0 0 0 0 10 0 10 0 0 20 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 10 10 0 10 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 . 9 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 10 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 5 A G 0 0 72 0, 0.0 188,-1.7 0, 0.0 189,-0.4 0.000 360.0 360.0 360.0 144.7 14.9 27.4 44.2 2 6 A P - 0 0 51 0, 0.0 186,-0.2 0, 0.0 219,-0.1 -0.337 360.0-103.4 -93.1 175.9 11.2 28.2 43.4 3 7 A T - 0 0 44 217,-0.2 184,-0.1 -2,-0.1 185,-0.0 -0.904 37.0-124.0-107.0 121.0 9.4 31.1 41.6 4 8 A P + 0 0 114 0, 0.0 2,-0.3 0, 0.0 142,-0.0 -0.222 32.6 171.6 -61.2 145.6 7.7 33.7 43.9 5 9 A Q - 0 0 70 2,-0.0 2,-0.5 0, 0.0 148,-0.2 -0.867 15.9-160.4-158.7 120.3 4.0 34.6 43.5 6 10 A Q - 0 0 132 -2,-0.3 2,-0.2 146,-0.1 3,-0.1 -0.910 15.5-174.1-107.5 125.9 1.8 36.7 45.7 7 11 A H - 0 0 51 -2,-0.5 146,-0.1 142,-0.2 145,-0.1 -0.676 33.8-106.6-112.9 171.0 -1.9 36.3 45.5 8 12 A D + 0 0 111 -2,-0.2 -1,-0.1 144,-0.1 4,-0.1 0.998 47.5 157.2 -60.6 -76.6 -4.9 38.1 47.0 9 13 A G + 0 0 3 1,-0.1 31,-0.1 143,-0.1 -1,-0.1 0.923 27.1 126.9 49.1 47.0 -6.0 35.7 49.6 10 14 A S S S+ 0 0 48 32,-0.2 33,-0.4 1,-0.1 -1,-0.1 0.517 75.1 50.6-104.3 -16.0 -7.7 38.4 51.6 11 15 A A S S+ 0 0 67 31,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.149 95.4 110.3-103.5 13.8 -10.9 36.4 51.6 12 16 A L - 0 0 4 -4,-0.1 2,-0.5 29,-0.1 31,-0.4 -0.585 55.8-155.2 -92.3 151.2 -9.0 33.4 52.8 13 17 A R - 0 0 13 -2,-0.2 66,-2.6 64,-0.2 67,-0.9 -0.974 19.0-165.5-126.2 112.1 -9.1 31.7 56.1 14 18 A I E -ab 47 80A 0 32,-1.8 34,-2.6 -2,-0.5 2,-0.5 -0.837 8.1-156.7-105.4 138.1 -5.9 29.8 56.9 15 19 A G E -ab 48 81A 0 65,-2.0 67,-2.1 -2,-0.4 2,-0.4 -0.939 10.7-170.4-113.6 131.6 -5.4 27.2 59.6 16 20 A I E -ab 49 82A 0 32,-2.6 34,-2.6 -2,-0.5 2,-0.4 -0.979 8.3-176.9-126.0 133.8 -1.9 26.5 61.0 17 21 A V E -ab 50 83A 0 65,-2.4 67,-2.4 -2,-0.4 2,-0.4 -0.994 10.2-178.6-128.4 122.8 -0.8 23.7 63.3 18 22 A H E -ab 51 84A 20 32,-1.9 34,-1.7 -2,-0.4 67,-0.2 -0.934 21.6-129.1-124.1 148.6 2.7 23.6 64.5 19 23 A A E -a 52 0A 0 65,-2.4 35,-0.2 -2,-0.4 36,-0.1 -0.346 14.1-135.5 -83.2 172.0 4.5 21.1 66.7 20 24 A R > + 0 0 3 33,-2.1 3,-0.7 32,-0.8 2,-0.3 0.409 64.8 112.3-113.2 2.5 6.5 22.2 69.7 21 25 A W T 3 S+ 0 0 91 32,-0.6 65,-0.2 1,-0.3 5,-0.1 -0.595 90.2 12.7 -74.5 137.4 9.7 20.1 69.5 22 26 A N T >> S+ 0 0 26 647,-2.6 3,-2.1 -2,-0.3 4,-2.1 0.953 78.0 177.8 62.4 50.9 12.7 22.4 68.7 23 27 A E H <> S+ 0 0 65 -3,-0.7 4,-2.9 646,-0.4 -2,-0.1 0.822 72.2 67.1 -56.0 -35.1 10.7 25.6 69.4 24 28 A T H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.687 112.7 35.1 -62.1 -14.2 13.7 27.8 68.8 25 29 A I H <> S+ 0 0 2 -3,-2.1 4,-1.6 2,-0.1 -2,-0.2 0.720 114.4 56.8-104.1 -36.4 13.3 26.7 65.2 26 30 A I H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 5,-0.2 0.910 104.5 52.7 -61.4 -45.6 9.5 26.4 65.1 27 31 A E H X S+ 0 0 110 -4,-2.9 4,-3.3 2,-0.2 5,-0.2 0.939 107.9 48.2 -58.2 -53.3 9.1 30.1 66.2 28 32 A P H > S+ 0 0 32 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 116.7 46.4 -55.4 -39.4 11.3 31.6 63.4 29 33 A L H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.984 113.5 45.4 -65.4 -59.3 9.4 29.4 61.0 30 34 A L H X S+ 0 0 10 -4,-3.5 4,-3.0 1,-0.2 5,-0.3 0.886 111.7 55.0 -51.7 -43.5 5.9 30.2 62.2 31 35 A A H X S+ 0 0 43 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.2 0.948 110.0 44.9 -56.2 -52.0 6.9 33.9 62.4 32 36 A G H X S+ 0 0 7 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.894 114.3 47.7 -62.3 -41.7 7.9 33.9 58.7 33 37 A T H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.947 114.1 46.2 -68.1 -43.0 4.9 32.0 57.5 34 38 A K H X S+ 0 0 63 -4,-3.0 4,-2.1 -5,-0.2 5,-0.3 0.920 110.7 55.8 -63.6 -41.6 2.4 34.1 59.5 35 39 A A H X S+ 0 0 51 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.975 107.9 45.3 -52.1 -64.0 4.2 37.3 58.3 36 40 A K H X S+ 0 0 57 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.766 108.1 60.8 -54.6 -26.4 3.9 36.4 54.6 37 41 A L H ><>S+ 0 0 0 -4,-1.4 5,-1.9 2,-0.2 3,-1.5 0.988 110.5 37.8 -64.9 -56.4 0.2 35.5 55.2 38 42 A L H ><5S+ 0 0 73 -4,-2.1 3,-3.8 1,-0.3 -2,-0.2 0.941 110.3 63.0 -56.8 -47.1 -0.6 39.0 56.4 39 43 A A H 3<5S+ 0 0 53 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.736 103.2 50.9 -50.8 -22.9 1.7 40.3 53.7 40 44 A C T <<5S- 0 0 9 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.362 128.1 -97.6 -98.4 4.5 -0.7 38.8 51.3 41 45 A G T < 5 + 0 0 35 -3,-3.8 2,-0.3 1,-0.3 -3,-0.2 0.503 69.5 151.8 96.7 1.6 -3.7 40.4 52.8 42 46 A V < - 0 0 4 -5,-1.9 -1,-0.3 -6,-0.2 2,-0.2 -0.528 52.5-114.3 -67.8 129.1 -4.9 37.5 54.9 43 47 A K > - 0 0 132 -31,-0.4 3,-3.0 -33,-0.4 4,-0.2 -0.487 14.1-127.8 -69.3 131.0 -6.8 39.1 57.8 44 48 A E G > S+ 0 0 114 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.834 111.7 53.3 -42.5 -41.2 -5.1 38.6 61.2 45 49 A S G 3 S+ 0 0 77 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.643 101.4 60.1 -73.6 -14.9 -8.4 37.3 62.5 46 50 A N G < S+ 0 0 21 -3,-3.0 -32,-1.8 28,-0.1 2,-0.6 0.257 86.3 88.4 -96.2 12.9 -8.7 34.7 59.7 47 51 A I E < -a 14 0A 14 -3,-1.2 2,-0.4 -4,-0.2 -32,-0.2 -0.935 61.0-167.5-113.3 107.8 -5.4 33.0 60.7 48 52 A V E -a 15 0A 16 -34,-2.6 -32,-2.6 -2,-0.6 2,-0.4 -0.801 4.7-173.3 -95.0 136.3 -6.0 30.3 63.2 49 53 A V E +a 16 0A 45 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.910 10.5 163.0-136.8 109.6 -2.8 28.9 64.9 50 54 A Q E -a 17 0A 32 -34,-2.6 -32,-1.9 -2,-0.4 2,-0.3 -0.816 20.1-144.0-120.3 162.3 -2.8 25.9 67.2 51 55 A S E -a 18 0A 18 -2,-0.3 -32,-0.2 -34,-0.2 3,-0.1 -0.762 9.6-167.5-123.8 170.2 -0.0 23.7 68.5 52 56 A V E -a 19 0A 0 -34,-1.7 -32,-0.8 -2,-0.3 6,-0.1 -0.947 34.9-108.2-146.8 161.3 0.7 20.1 69.4 53 57 A P S S+ 0 0 17 0, 0.0 -33,-2.1 0, 0.0 -32,-0.6 0.988 90.1 4.1 -60.9 -62.2 3.6 18.4 71.2 54 58 A G S > S- 0 0 7 -35,-0.2 3,-1.1 -34,-0.2 4,-0.4 -0.661 76.7 -98.6-121.6 177.8 5.3 16.6 68.3 55 59 A S T > S+ 0 0 9 1,-0.3 3,-1.4 -2,-0.2 32,-0.1 0.798 114.4 69.5 -62.6 -31.5 5.1 16.1 64.5 56 60 A W T 3> S+ 0 0 8 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.841 98.0 52.1 -56.2 -32.8 3.2 12.9 64.9 57 61 A E H <> S+ 0 0 12 -3,-1.1 4,-3.0 1,-0.2 5,-0.3 0.670 89.0 86.8 -77.3 -17.8 0.3 15.0 66.1 58 62 A L H <> S+ 0 0 0 -3,-1.4 4,-2.9 -4,-0.4 5,-0.2 0.933 89.4 41.5 -50.2 -61.2 0.5 17.2 63.1 59 63 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.934 118.3 44.8 -57.5 -48.0 -1.7 15.2 60.7 60 64 A I H X S+ 0 0 0 -4,-0.6 4,-2.1 1,-0.2 5,-0.2 0.925 115.5 49.3 -61.6 -42.4 -4.4 14.2 63.2 61 65 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.903 111.9 47.5 -63.1 -42.4 -4.4 17.8 64.5 62 66 A V H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 5,-0.3 0.919 110.8 52.1 -66.0 -41.5 -4.7 19.2 61.0 63 67 A Q H X S+ 0 0 25 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.903 115.6 40.8 -59.3 -43.9 -7.5 16.8 60.1 64 68 A R H X S+ 0 0 58 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.827 109.6 57.5 -75.2 -36.4 -9.5 17.8 63.2 65 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.978 112.8 41.1 -59.5 -54.5 -8.8 21.5 63.0 66 70 A Y H X S+ 0 0 27 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.938 111.2 57.8 -56.4 -48.0 -10.3 21.6 59.5 67 71 A S H X S+ 0 0 22 -4,-1.9 4,-1.3 -5,-0.3 3,-0.5 0.905 107.9 47.7 -48.1 -46.6 -13.0 19.2 60.7 68 72 A A H >X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 3,-0.8 0.962 103.8 58.3 -62.2 -52.9 -14.0 21.8 63.3 69 73 A S H 3< S+ 0 0 0 -4,-2.3 7,-0.5 1,-0.3 -1,-0.2 0.762 104.2 56.0 -49.2 -27.1 -14.0 24.7 61.0 70 74 A Q H 3< S+ 0 0 106 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.914 97.5 58.5 -73.3 -43.7 -16.6 22.8 59.0 71 75 A L H << 0 0 113 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.758 360.0 360.0 -57.4 -23.5 -19.0 22.4 61.9 72 76 A Q < 0 0 94 -4,-1.1 -1,-0.3 -3,-0.1 -2,-0.2 0.894 360.0 360.0 -75.4 360.0 -19.0 26.2 62.1 73 ! 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 74 107 A S 0 0 84 0, 0.0 -28,-0.1 0, 0.0 -29,-0.0 0.000 360.0 360.0 360.0 119.0 -13.6 34.0 61.6 75 108 A T + 0 0 103 3,-0.0 -5,-0.1 -62,-0.0 -6,-0.1 0.640 360.0 85.9 42.5 156.3 -16.0 31.1 60.7 76 109 A G S S- 0 0 26 -7,-0.5 -6,-0.1 2,-0.0 3,-0.1 0.316 86.7 -71.2 98.1 130.9 -16.1 29.1 57.5 77 110 A P - 0 0 61 0, 0.0 -64,-0.2 0, 0.0 -11,-0.1 -0.244 64.2 -96.9 -53.9 137.7 -14.0 26.0 56.7 78 111 A F - 0 0 1 -12,-0.2 -64,-0.2 1,-0.1 3,-0.1 -0.165 21.5-147.0 -55.8 149.9 -10.4 26.9 56.1 79 112 A D S S+ 0 0 9 -66,-2.6 2,-0.3 1,-0.3 -65,-0.2 0.648 81.1 5.9 -92.9 -18.6 -9.3 27.4 52.5 80 113 A A E -b 14 0A 0 -67,-0.9 -65,-2.0 35,-0.1 2,-0.3 -0.974 66.1-148.7-161.6 152.0 -5.8 26.0 53.1 81 114 A L E -bc 15 117A 0 35,-2.7 37,-3.4 -2,-0.3 2,-0.4 -0.912 4.0-155.1-127.2 153.1 -3.8 24.5 56.0 82 115 A I E -bc 16 118A 0 -67,-2.1 -65,-2.4 -2,-0.3 2,-0.6 -0.995 1.6-161.2-132.3 129.5 -0.2 24.6 57.0 83 116 A A E -bc 17 119A 0 35,-2.5 37,-1.8 -2,-0.4 2,-0.5 -0.945 10.3-171.1-111.6 120.3 1.6 21.9 59.1 84 117 A I E +bc 18 120A 0 -67,-2.4 -65,-2.4 -2,-0.6 2,-0.3 -0.949 19.1 144.8-116.0 124.5 4.9 23.1 60.7 85 118 A G E - c 0 121A 0 35,-1.7 37,-2.7 -2,-0.5 2,-0.4 -0.972 34.4-144.3-150.8 161.1 7.2 20.6 62.3 86 119 A V E - c 0 122A 3 -2,-0.3 2,-0.4 35,-0.2 37,-0.2 -0.886 15.5-176.4-137.1 104.0 10.9 20.1 62.8 87 120 A L E - 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