==== 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 OXIDOREDUCTASE 13-MAY-02 1LQT . COMPND 2 MOLECULE: FPRA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.T.BOSSI,A.ALIVERTI,D.RAIMONDI,F.FISCHER,G.ZANETTI,D.FERRAR . 906 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 61 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 6 1 1 6 6 0 0 2 2 0 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 6 6 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 PARALLEL BRIDGES PER LADDER . 4 6 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 2 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 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 R 0 0 123 0, 0.0 31,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.5 25.1 -8.7 38.5 2 3 A P - 0 0 34 0, 0.0 31,-0.3 0, 0.0 2,-0.3 -0.447 360.0 -99.8 -75.7 161.4 23.7 -8.5 35.1 3 4 A Y E -a 33 0A 21 29,-2.7 31,-2.1 -2,-0.1 2,-0.6 -0.640 36.7-136.5 -71.3 145.2 20.7 -6.3 34.3 4 5 A Y E -a 34 0A 26 -2,-0.3 93,-2.1 29,-0.2 94,-1.3 -0.943 23.9-175.5-111.1 119.1 17.5 -8.3 34.3 5 6 A I E -ab 35 98A 0 29,-2.9 31,-2.5 -2,-0.6 2,-0.4 -0.956 11.8-155.9-118.7 131.8 15.2 -7.5 31.5 6 7 A A E -ab 36 99A 0 92,-2.1 94,-3.0 -2,-0.5 2,-0.5 -0.881 5.8-162.8-101.5 139.0 11.7 -9.0 30.9 7 8 A I E -ab 37 100A 0 29,-2.7 31,-3.0 -2,-0.4 2,-0.7 -0.991 8.9-149.3-121.4 126.8 10.3 -9.0 27.5 8 9 A V E +ab 38 101A 8 92,-3.1 94,-3.0 -2,-0.5 31,-0.2 -0.878 69.6 21.8-102.6 111.8 6.5 -9.5 27.2 9 10 A G - 0 0 8 29,-3.2 29,-0.2 -2,-0.7 94,-0.1 -0.219 65.3-133.1 107.0 159.8 5.8 -11.4 23.9 10 11 A S + 0 0 0 33,-0.1 35,-2.0 92,-0.1 -1,-0.1 0.009 62.0 112.2-141.3 26.2 7.9 -13.5 21.7 11 12 A G S > S- 0 0 10 91,-0.5 4,-2.4 34,-0.2 5,-0.2 -0.081 88.3 -69.3 -83.5-168.9 7.3 -12.3 18.2 12 13 A P H > S+ 0 0 16 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.892 131.7 50.8 -53.2 -47.9 9.8 -10.5 15.9 13 14 A S H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 111.5 49.6 -63.2 -38.6 10.0 -7.3 17.9 14 15 A A H > S+ 0 0 0 88,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.917 113.8 45.0 -59.9 -48.6 10.6 -9.2 21.1 15 16 A F H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.863 112.1 50.6 -70.1 -33.9 13.4 -11.3 19.5 16 17 A F H X S+ 0 0 13 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.922 111.7 49.3 -67.4 -39.5 15.0 -8.3 17.9 17 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.930 110.3 51.0 -61.7 -45.3 15.0 -6.5 21.2 18 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.933 110.8 48.3 -57.6 -46.8 16.5 -9.6 22.9 19 20 A A H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.908 110.4 51.4 -61.6 -41.6 19.2 -9.7 20.3 20 21 A S H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.894 110.0 49.8 -63.3 -39.4 20.0 -6.0 20.7 21 22 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.933 113.2 44.9 -63.6 -47.2 20.2 -6.4 24.5 22 23 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.885 111.6 53.6 -68.5 -36.1 22.6 -9.3 24.3 23 24 A K H X S+ 0 0 103 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.902 105.5 53.8 -62.9 -42.0 24.7 -7.6 21.6 24 25 A A H X S+ 0 0 7 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.933 111.2 46.0 -57.4 -48.8 25.1 -4.5 23.8 25 26 A A H >< S+ 0 0 10 -4,-1.9 3,-1.1 1,-0.2 6,-0.3 0.926 110.7 53.2 -59.3 -42.9 26.4 -6.7 26.6 26 27 A D H 3< S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.8 37.6 -66.6 -23.5 28.7 -8.5 24.2 27 28 A T H 3< S+ 0 0 107 -4,-1.5 2,-0.4 -3,-0.4 -1,-0.2 0.325 107.0 72.2-112.0 9.4 30.2 -5.3 23.0 28 29 A T S X< S- 0 0 17 -3,-1.1 3,-0.8 -4,-0.6 -1,-0.1 -0.980 72.7-129.7-135.2 124.6 30.4 -3.2 26.2 29 30 A E T 3 S+ 0 0 165 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.385 93.1 16.9 -66.2 146.6 32.6 -3.6 29.2 30 31 A D T 3 S+ 0 0 114 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 0.848 101.5 108.5 57.7 37.8 30.9 -3.6 32.5 31 32 A L < + 0 0 9 -3,-0.8 2,-0.3 -6,-0.3 -3,-0.3 -0.916 39.7 169.9-145.4 113.0 27.5 -4.4 31.0 32 33 A D - 0 0 94 -2,-0.3 -29,-2.7 -31,-0.3 2,-0.3 -0.929 13.1-157.0-125.5 152.5 25.9 -7.8 31.4 33 34 A M E -a 3 0A 2 -2,-0.3 2,-0.4 -31,-0.3 -29,-0.2 -0.968 15.8-172.7-136.0 144.5 22.4 -8.8 30.5 34 35 A A E -a 4 0A 17 -31,-2.1 -29,-2.9 -2,-0.3 2,-0.5 -0.995 17.6-162.3-131.2 130.9 19.9 -11.5 31.5 35 36 A V E -ac 5 75A 0 39,-2.5 41,-2.2 -2,-0.4 2,-0.5 -0.972 9.3-172.1-123.0 122.6 16.7 -11.7 29.4 36 37 A D E -ac 6 76A 5 -31,-2.5 -29,-2.7 -2,-0.5 2,-0.5 -0.972 11.4-158.2-110.8 124.7 13.4 -13.4 30.4 37 38 A M E -ac 7 77A 0 39,-3.0 41,-2.8 -2,-0.5 2,-0.5 -0.922 3.3-163.1-109.0 121.4 10.8 -13.6 27.7 38 39 A L E -ac 8 78A 1 -31,-3.0 -29,-3.2 -2,-0.5 2,-0.4 -0.931 9.7-172.5-108.9 124.7 7.2 -14.2 28.8 39 40 A E E - c 0 79A 14 39,-2.5 42,-2.6 -2,-0.5 41,-0.7 -0.963 26.2-144.1-128.7 132.7 4.7 -15.3 26.2 40 41 A M S S+ 0 0 49 -2,-0.4 42,-0.1 40,-0.2 -1,-0.1 0.809 86.6 55.7 -56.0 -44.6 1.0 -15.7 26.3 41 42 A L S S- 0 0 12 2,-0.3 39,-1.8 39,-0.1 40,-0.3 -0.514 90.0-116.8 -87.9 163.6 0.9 -18.8 24.1 42 43 A P S S+ 0 0 1 0, 0.0 37,-0.2 0, 0.0 382,-0.1 0.710 99.9 64.0 -67.2 -19.1 2.7 -22.0 24.7 43 44 A T S S- 0 0 3 381,-0.1 3,-0.3 1,-0.1 -2,-0.3 -0.877 76.9-137.9-113.1 141.7 4.6 -21.4 21.5 44 45 A P + 0 0 4 0, 0.0 -33,-0.1 0, 0.0 5,-0.1 -0.177 67.7 66.9 -83.3 177.7 6.9 -18.5 20.5 45 46 A W S > S- 0 0 17 -35,-2.0 3,-2.1 -34,-0.1 4,-0.3 0.220 70.4-145.7 98.2 -5.6 7.3 -16.4 17.4 46 47 A G T >> S- 0 0 20 -3,-0.3 4,-2.5 1,-0.3 3,-1.2 -0.193 77.1 -2.1 55.4-135.0 4.1 -14.4 17.4 47 48 A L H 3>>S+ 0 0 60 1,-0.3 5,-2.6 2,-0.2 4,-2.1 0.673 121.5 75.4 -68.2 -15.2 2.7 -13.7 13.9 48 49 A V H <45S+ 0 0 2 -3,-2.1 -1,-0.3 3,-0.2 -2,-0.2 0.919 114.6 24.6 -59.9 -40.2 5.7 -15.4 12.3 49 50 A R H <45S+ 0 0 17 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.1 0.901 137.7 29.4 -81.7 -49.6 3.9 -18.6 13.4 50 51 A S H <5S+ 0 0 16 -4,-2.5 82,-0.2 1,-0.1 -3,-0.2 0.536 126.7 34.1 -98.2 -8.3 0.3 -17.5 13.7 51 52 A G T <5S+ 0 0 11 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.800 87.7 88.0-110.5 -59.0 -0.0 -14.7 11.1 52 53 A V S - 0 0 0 1,-0.1 3,-2.2 2,-0.1 -1,-0.1 -0.195 19.1-121.0 -64.1 151.1 0.1 -17.5 5.7 54 55 A P T 3 S+ 0 0 3 0, 0.0 122,-0.5 0, 0.0 -1,-0.1 0.723 115.8 55.7 -66.2 -21.2 0.6 -21.2 5.5 55 56 A D T 3 S+ 0 0 42 1,-0.2 3,-0.1 120,-0.1 -2,-0.1 0.239 97.0 68.9 -91.2 14.2 1.4 -20.9 1.8 56 57 A H <> + 0 0 31 -3,-2.2 4,-0.7 1,-0.1 3,-0.5 -0.405 56.9 143.6-120.5 53.0 4.2 -18.4 2.7 57 58 A P T >4 + 0 0 72 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.825 55.6 73.1 -65.5 -27.8 6.6 -20.8 4.5 58 59 A K G >4 S+ 0 0 179 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.907 95.1 47.2 -60.8 -43.0 9.8 -19.1 3.2 59 60 A I G >4 S+ 0 0 88 -3,-0.5 3,-1.8 1,-0.3 -1,-0.3 0.797 96.7 73.6 -74.2 -16.5 9.7 -16.0 5.4 60 61 A K G X< S+ 0 0 24 -3,-0.7 3,-2.4 -4,-0.7 -1,-0.3 0.703 74.2 84.7 -63.6 -16.4 9.0 -18.1 8.5 61 62 A S G X + 0 0 78 -3,-1.5 3,-2.0 -4,-0.5 4,-0.4 0.647 66.0 83.2 -61.4 -14.7 12.6 -19.2 8.3 62 63 A I G X> S+ 0 0 29 -3,-1.8 3,-1.2 1,-0.3 4,-1.2 0.755 72.5 78.8 -57.8 -23.9 13.4 -16.1 10.2 63 64 A S H <> S+ 0 0 15 -3,-2.4 4,-2.4 1,-0.3 -1,-0.3 0.783 79.1 67.8 -56.6 -25.5 12.5 -18.2 13.2 64 65 A K H <> S+ 0 0 147 -3,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.881 97.9 51.7 -60.9 -38.5 15.9 -19.8 13.0 65 66 A Q H <> S+ 0 0 104 -3,-1.2 4,-2.0 -4,-0.4 -1,-0.2 0.892 108.9 50.2 -61.3 -43.4 17.4 -16.5 14.0 66 67 A F H X S+ 0 0 3 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.897 108.9 52.3 -62.7 -40.0 15.1 -16.4 17.0 67 68 A E H X S+ 0 0 58 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.892 106.7 52.9 -64.1 -39.5 16.1 -19.9 18.0 68 69 A K H >< S+ 0 0 168 -4,-2.1 3,-0.6 2,-0.2 4,-0.4 0.925 109.8 48.1 -63.7 -41.2 19.8 -18.9 17.8 69 70 A T H >< S+ 0 0 28 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.930 108.4 55.2 -61.1 -44.2 19.1 -16.0 20.2 70 71 A A H 3< S+ 0 0 27 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.711 94.9 68.2 -65.0 -19.0 17.2 -18.4 22.5 71 72 A E T << S+ 0 0 138 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.664 74.7 109.6 -72.0 -15.5 20.2 -20.7 22.7 72 73 A D S X S- 0 0 37 -3,-1.8 3,-2.0 -4,-0.4 -3,-0.0 -0.406 73.2-136.1 -64.6 131.4 22.0 -18.0 24.7 73 74 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.701 103.8 62.1 -61.4 -17.0 22.5 -19.1 28.3 74 75 A R T 3 S+ 0 0 68 -40,-0.1 -39,-2.5 2,-0.0 2,-0.4 0.498 93.8 81.5 -83.2 -5.5 21.4 -15.6 29.4 75 76 A F E < -c 35 0A 13 -3,-2.0 2,-0.3 -41,-0.2 -39,-0.2 -0.866 54.4-179.9-107.0 136.6 18.0 -16.0 27.8 76 77 A R E -c 36 0A 64 -41,-2.2 -39,-3.0 -2,-0.4 2,-0.4 -0.985 12.7-151.5-132.0 146.3 15.0 -17.8 29.2 77 78 A F E -c 37 0A 7 -2,-0.3 341,-0.6 -41,-0.2 2,-0.4 -0.945 8.9-175.0-115.4 135.7 11.5 -18.4 27.8 78 79 A F E -cD 38 417A 13 -41,-2.8 -39,-2.5 -2,-0.4 3,-0.4 -0.886 14.0-172.7-131.5 98.9 8.3 -18.8 29.8 79 80 A G E +cD 39 416A 0 337,-3.2 337,-2.2 -2,-0.4 -39,-0.2 -0.411 62.9 40.3 -89.0 166.8 5.3 -19.6 27.6 80 81 A N S S+ 0 0 11 -39,-1.8 2,-0.5 -41,-0.7 -40,-0.2 0.801 82.0 128.8 61.6 31.9 1.7 -19.8 28.7 81 82 A V - 0 0 3 -42,-2.6 2,-0.8 -3,-0.4 -1,-0.2 -0.965 44.6-160.8-117.6 113.2 2.2 -16.7 30.9 82 83 A V >>> - 0 0 30 -2,-0.5 3,-2.2 -42,-0.1 4,-2.0 -0.826 11.9-141.6-100.9 109.4 -0.4 -14.1 30.2 83 84 A V B 345S+h 87 0B 24 -2,-0.8 5,-0.2 1,-0.3 -43,-0.1 -0.590 93.6 34.1 -74.5 130.2 0.7 -10.7 31.4 84 85 A G T 345S+ 0 0 21 3,-3.3 -1,-0.3 -2,-0.4 4,-0.2 0.118 126.7 44.9 103.3 -14.3 -2.3 -9.0 32.8 85 86 A E T <45S+ 0 0 129 -3,-2.2 -2,-0.2 2,-0.5 3,-0.1 0.641 123.4 20.0-118.8 -68.9 -3.6 -12.3 34.1 86 87 A H T <5S+ 0 0 32 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.857 137.8 11.5 -75.4 -39.2 -0.9 -14.5 35.8 87 88 A V B > - 0 0 64 -2,-0.3 4,-2.1 -5,-0.2 3,-1.5 -0.788 22.8-115.1-113.3 153.5 0.9 -7.8 36.3 89 90 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.884 116.2 55.1 -49.6 -45.6 3.0 -5.0 34.8 90 91 A G H 34 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.2 240,-0.1 0.694 108.4 49.6 -65.4 -20.6 3.5 -3.5 38.2 91 92 A E H <> S+ 0 0 50 -3,-1.5 4,-1.1 2,-0.2 3,-0.4 0.830 110.5 48.4 -81.2 -43.0 4.9 -6.8 39.5 92 93 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 3,-0.4 0.888 106.1 58.2 -62.9 -38.0 7.3 -7.2 36.6 93 94 A S H < S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.773 106.8 48.6 -67.9 -20.9 8.5 -3.6 37.0 94 95 A E H 4 S+ 0 0 130 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.737 115.5 44.1 -82.9 -27.7 9.5 -4.5 40.7 95 96 A R H < S+ 0 0 74 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.529 112.0 48.5 -98.7 -8.8 11.4 -7.7 39.6 96 97 A Y S < S- 0 0 1 -4,-1.3 -91,-0.2 1,-0.1 3,-0.1 -0.938 73.7-127.9-130.7 151.7 13.3 -6.5 36.6 97 98 A D S S- 0 0 6 -93,-2.1 2,-0.3 -2,-0.3 -92,-0.2 0.867 97.4 -2.9 -62.6 -38.1 15.5 -3.6 35.8 98 99 A A E -b 5 0A 0 -94,-1.3 -92,-2.1 -6,-0.1 2,-0.4 -0.982 64.1-148.1-152.4 157.6 13.4 -2.9 32.7 99 100 A V E -be 6 353A 0 253,-2.2 255,-2.6 -2,-0.3 2,-0.5 -0.997 7.5-157.2-131.3 131.2 10.4 -4.5 31.0 100 101 A I E -be 7 354A 0 -94,-3.0 -92,-3.1 -2,-0.4 2,-0.6 -0.951 8.8-149.0-111.7 120.3 9.8 -4.4 27.2 101 102 A Y E +be 8 355A 1 253,-3.3 255,-1.9 -2,-0.5 -92,-0.1 -0.826 27.2 162.2 -90.1 120.0 6.2 -4.8 26.0 102 103 A A + 0 0 8 -94,-3.0 -91,-0.5 -2,-0.6 -88,-0.3 -0.406 23.3 136.8-130.7 48.0 6.3 -6.5 22.6 103 104 A V - 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