==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-05 2C7G . COMPND 2 MOLECULE: NADPH-FERREDOXIN REDUCTASE FPRA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.PENNATI,A.RAZETO,M.DE ROSA,V.PANDINI,M.A.VANONI, . 453 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 4 1 0 3 3 0 0 1 1 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 3 2 1 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 . 2 3 0 0 0 1 0 0 0 1 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 1 0 0 1 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 2 A R 0 0 130 0, 0.0 31,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 158.9 53.4 -25.3 11.6 2 3 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 31,-0.3 -0.457 360.0 -98.7 -80.3 165.9 53.7 -22.2 9.5 3 4 A Y E -a 33 0A 24 29,-3.0 31,-2.2 -2,-0.1 2,-0.6 -0.670 36.5-138.2 -74.7 139.2 56.2 -19.5 10.4 4 5 A Y E -a 34 0A 29 -2,-0.3 93,-2.1 29,-0.2 94,-1.2 -0.920 23.5-176.7-105.7 117.8 54.6 -16.7 12.3 5 6 A I E -ab 35 98A 0 29,-2.8 31,-2.7 -2,-0.6 2,-0.4 -0.942 11.9-157.2-118.2 128.9 55.6 -13.2 11.3 6 7 A A E -ab 36 99A 0 92,-2.0 94,-2.9 -2,-0.5 2,-0.5 -0.882 5.3-162.3-100.0 136.0 54.5 -10.0 12.9 7 8 A I E -ab 37 100A 0 29,-2.9 31,-3.1 -2,-0.4 2,-0.7 -0.986 8.5-149.4-116.6 128.0 54.7 -6.7 10.9 8 9 A V E +ab 38 101A 8 92,-3.4 94,-3.0 -2,-0.5 31,-0.2 -0.873 68.9 21.6-102.6 112.4 54.6 -3.5 12.8 9 10 A G - 0 0 9 29,-3.2 29,-0.2 -2,-0.7 94,-0.1 -0.268 67.1-132.2 108.2 156.7 53.0 -0.7 10.8 10 11 A S + 0 0 0 -2,-0.1 35,-2.1 92,-0.1 -1,-0.1 0.034 60.9 112.8-137.4 28.6 50.6 -1.0 7.8 11 12 A G S > S- 0 0 9 91,-0.5 4,-2.4 34,-0.2 35,-0.2 -0.081 87.6 -68.7 -86.8-166.9 52.0 1.4 5.1 12 13 A P H > S+ 0 0 18 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.894 132.1 50.8 -53.3 -48.8 53.5 0.5 1.7 13 14 A S H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.901 111.6 49.1 -62.5 -37.2 56.7 -1.1 3.1 14 15 A A H > S+ 0 0 0 88,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.921 114.2 44.7 -63.5 -47.1 54.7 -3.3 5.5 15 16 A F H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.854 111.8 51.5 -69.2 -34.6 52.3 -4.5 2.7 16 17 A F H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.916 111.9 48.6 -66.2 -42.3 55.2 -5.1 0.3 17 18 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.922 109.9 51.3 -58.4 -49.0 56.9 -7.2 3.0 18 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 111.0 48.0 -55.9 -46.4 53.6 -9.1 3.6 19 20 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 110.6 52.1 -60.7 -42.2 53.3 -9.9 -0.1 20 21 A S H X S+ 0 0 10 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.904 110.0 48.6 -62.4 -43.6 56.9 -11.0 -0.3 21 22 A L H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.918 113.7 45.1 -61.5 -47.4 56.5 -13.4 2.7 22 23 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.868 111.1 53.3 -68.4 -35.4 53.3 -15.0 1.3 23 24 A K H X S+ 0 0 68 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.871 106.7 53.1 -67.0 -38.2 54.8 -15.3 -2.3 24 25 A A H X S+ 0 0 19 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.916 111.4 45.7 -60.4 -45.4 57.8 -17.1 -0.8 25 26 A A H >< S+ 0 0 8 -4,-1.8 3,-1.0 1,-0.2 6,-0.3 0.935 112.1 52.6 -60.8 -46.1 55.4 -19.6 0.9 26 27 A D H 3< S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.707 117.2 36.9 -62.9 -25.2 53.4 -19.9 -2.3 27 28 A T H 3< S+ 0 0 109 -4,-1.3 2,-0.5 -3,-0.3 -1,-0.2 0.339 106.6 77.5-111.6 4.4 56.4 -20.8 -4.4 28 29 A T S X< S- 0 0 67 -3,-1.0 3,-0.9 -4,-0.6 -1,-0.1 -0.963 71.7-131.5-127.9 121.5 58.4 -22.9 -1.9 29 30 A E T 3 S+ 0 0 84 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.376 93.7 13.7 -61.8 142.0 57.9 -26.5 -0.8 30 31 A D T 3 S+ 0 0 141 1,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.828 102.8 110.5 57.2 38.1 57.8 -27.1 3.0 31 32 A L < + 0 0 20 -3,-0.9 2,-0.3 -6,-0.3 -3,-0.3 -0.937 38.7 170.0-143.2 117.5 57.5 -23.3 3.7 32 33 A D - 0 0 95 -2,-0.4 -29,-3.0 -31,-0.3 2,-0.4 -0.955 12.5-157.7-131.9 149.7 54.3 -21.8 5.1 33 34 A M E -a 3 0A 4 -2,-0.3 2,-0.4 -31,-0.3 -29,-0.2 -0.952 14.7-171.9-132.1 143.0 53.6 -18.4 6.5 34 35 A A E -a 4 0A 18 -31,-2.2 -29,-2.8 -2,-0.4 2,-0.5 -0.990 19.3-160.0-129.3 126.4 51.1 -16.6 8.8 35 36 A V E -ac 5 75A 0 39,-2.5 41,-2.3 -2,-0.4 2,-0.5 -0.938 9.7-172.1-116.5 121.1 51.3 -12.8 8.8 36 37 A D E -ac 6 76A 5 -31,-2.7 -29,-2.9 -2,-0.5 2,-0.6 -0.960 10.4-157.8-108.6 123.8 50.0 -10.6 11.6 37 38 A M E -ac 7 77A 0 39,-3.2 41,-3.0 -2,-0.5 2,-0.5 -0.884 2.9-162.4-106.6 120.7 50.0 -6.8 11.0 38 39 A L E -ac 8 78A 1 -31,-3.1 -29,-3.2 -2,-0.6 2,-0.4 -0.905 11.9-174.0-107.0 120.5 49.9 -4.5 14.0 39 40 A E - 0 0 15 39,-2.7 42,-2.8 -2,-0.5 41,-0.5 -0.943 28.5-145.5-125.1 134.0 49.0 -0.9 13.3 40 41 A M S S+ 0 0 51 -2,-0.4 42,-0.1 40,-0.2 -1,-0.1 0.845 87.3 57.0 -60.3 -40.4 48.9 2.2 15.6 41 42 A L S S- 0 0 11 2,-0.3 39,-1.7 39,-0.1 40,-0.3 -0.473 89.4-118.3 -87.9 162.0 45.8 3.6 13.9 42 43 A P S S+ 0 0 1 0, 0.0 37,-0.2 0, 0.0 382,-0.1 0.720 99.9 61.0 -63.7 -22.1 42.4 2.0 13.4 43 44 A T S S- 0 0 4 381,-0.1 3,-0.3 1,-0.1 -2,-0.3 -0.821 77.2-137.2-114.2 145.9 43.0 2.2 9.6 44 45 A P + 0 0 3 0, 0.0 -33,-0.1 0, 0.0 -1,-0.1 -0.250 67.5 67.9 -84.8 178.4 45.7 0.7 7.4 45 46 A W S > S- 0 0 15 -35,-2.1 3,-2.0 -34,-0.1 4,-0.3 0.205 70.4-146.5 100.2 -6.3 47.8 2.0 4.5 46 47 A G T >> S- 0 0 22 -3,-0.3 4,-2.6 1,-0.3 3,-1.3 -0.187 77.1 -0.6 53.4-129.7 50.0 4.5 6.3 47 48 A L H 3>>S+ 0 0 60 1,-0.3 5,-2.7 2,-0.2 4,-2.1 0.671 122.1 73.8 -72.3 -14.4 50.9 7.5 4.2 48 49 A V H <45S+ 0 0 3 -3,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.897 115.1 25.9 -60.7 -36.1 49.0 6.2 1.2 49 50 A R H <45S+ 0 0 16 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.1 0.912 137.5 27.9 -86.0 -49.7 46.0 7.2 3.3 50 51 A S H <5S+ 0 0 14 -4,-2.6 82,-0.2 1,-0.1 -3,-0.2 0.483 127.5 33.8 -98.5 -6.5 47.3 10.0 5.5 51 52 A G T <5S+ 0 0 9 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.796 87.5 85.1-114.9 -60.9 50.1 11.5 3.4 52 53 A V S - 0 0 1 1,-0.1 3,-1.7 2,-0.1 7,-0.2 -0.201 21.9-120.9 -67.1 149.8 47.4 14.5 -1.2 54 55 A P T 3 S+ 0 0 4 0, 0.0 122,-0.5 0, 0.0 -1,-0.1 0.697 112.4 62.7 -64.1 -20.9 43.6 14.3 -1.5 55 56 A D T 3 S+ 0 0 40 1,-0.2 3,-0.2 120,-0.1 -2,-0.1 0.203 92.1 72.5 -83.8 14.8 43.8 15.5 -5.1 56 57 A Q <> + 0 0 37 -3,-1.7 4,-1.9 1,-0.1 3,-0.2 -0.324 48.3 145.9-125.4 54.1 45.8 12.3 -6.0 57 58 A P H > S+ 0 0 82 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.876 70.9 58.6 -61.1 -36.1 43.3 9.5 -5.9 58 59 A K H >4 S+ 0 0 96 1,-0.2 3,-0.9 2,-0.2 4,-0.1 0.931 106.9 45.1 -61.8 -45.9 45.0 7.6 -8.7 59 60 A I H >4 S+ 0 0 76 1,-0.2 3,-1.3 -3,-0.2 -1,-0.2 0.905 109.8 57.4 -66.6 -33.1 48.3 7.3 -6.9 60 61 A K H >< S+ 0 0 18 -4,-1.9 3,-2.3 1,-0.2 -1,-0.2 0.730 85.1 84.2 -61.8 -21.7 46.3 6.3 -3.7 61 62 A S T X< + 0 0 62 -4,-1.1 3,-1.8 -3,-0.9 4,-0.3 0.509 60.4 88.0 -70.7 -3.2 44.9 3.4 -5.7 62 63 A I T X> S+ 0 0 34 -3,-1.3 3,-1.5 1,-0.3 4,-1.1 0.733 70.7 82.9 -56.6 -21.1 47.9 1.2 -4.9 63 64 A S H <> S+ 0 0 18 -3,-2.3 4,-2.4 1,-0.3 -1,-0.3 0.795 75.5 67.9 -53.7 -30.8 45.7 0.5 -1.9 64 65 A K H <> S+ 0 0 75 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.851 98.0 51.5 -55.8 -38.7 43.9 -2.1 -4.2 65 66 A Q H <> S+ 0 0 100 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.2 0.877 108.9 49.8 -63.8 -42.3 47.1 -4.2 -4.1 66 67 A F H X S+ 0 0 2 -4,-1.1 4,-2.4 1,-0.2 -2,-0.2 0.895 109.1 52.6 -66.0 -40.5 47.2 -4.0 -0.3 67 68 A E H X S+ 0 0 68 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.900 106.4 53.0 -58.7 -44.4 43.5 -5.1 -0.2 68 69 A K H >< S+ 0 0 141 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.920 110.3 47.9 -58.7 -44.9 44.4 -8.1 -2.4 69 70 A T H >< S+ 0 0 25 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.922 108.9 53.8 -59.8 -46.2 47.1 -9.1 0.1 70 71 A A H 3< S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.673 94.9 70.0 -67.0 -17.1 44.8 -8.7 3.0 71 72 A E T << S+ 0 0 135 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.651 74.9 107.3 -70.7 -16.4 42.2 -11.0 1.4 72 73 A D S X S- 0 0 37 -3,-1.7 3,-2.2 -4,-0.3 -3,-0.0 -0.464 73.9-137.1 -67.4 128.8 44.6 -13.9 2.1 73 74 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.702 104.3 61.7 -59.7 -18.2 43.4 -16.2 4.9 74 75 A R T 3 S+ 0 0 63 -40,-0.1 -39,-2.5 2,-0.0 2,-0.4 0.515 92.2 84.7 -83.7 -6.4 47.0 -16.2 6.3 75 76 A F E < +c 35 0A 11 -3,-2.2 2,-0.4 -41,-0.2 -39,-0.2 -0.821 54.3 179.4-103.5 132.3 46.9 -12.5 6.8 76 77 A R E -c 36 0A 60 -41,-2.3 -39,-3.2 -2,-0.4 2,-0.4 -0.989 13.2-151.7-130.0 146.2 45.5 -10.7 9.9 77 78 A F E -c 37 0A 6 -2,-0.4 341,-0.7 -41,-0.2 2,-0.4 -0.937 9.4-176.8-115.5 135.4 45.2 -7.0 10.8 78 79 A F E -cD 38 417A 12 -41,-3.0 -39,-2.7 -2,-0.4 3,-0.4 -0.865 15.3-176.7-129.7 98.4 45.2 -5.6 14.3 79 80 A G E + D 0 416A 0 337,-2.9 337,-2.2 -2,-0.4 -39,-0.2 -0.422 60.8 42.5 -91.0 170.5 44.7 -1.8 14.4 80 81 A N S S+ 0 0 12 -39,-1.7 2,-0.5 -41,-0.5 -40,-0.2 0.766 82.9 128.0 60.4 28.3 44.7 0.6 17.3 81 82 A V - 0 0 2 -42,-2.8 2,-0.8 -3,-0.4 -1,-0.2 -0.971 45.7-160.1-115.4 114.8 47.7 -1.4 18.7 82 83 A V >>> - 0 0 35 -2,-0.5 4,-2.3 -42,-0.1 3,-2.1 -0.850 11.4-143.3-100.4 108.9 50.7 0.9 19.5 83 84 A V B 345S+h 87 0B 21 -2,-0.8 5,-0.2 1,-0.3 -43,-0.0 -0.572 92.8 35.7 -74.9 128.3 53.9 -1.1 19.7 84 85 A G T 345S+ 0 0 18 3,-3.6 -1,-0.3 -2,-0.4 4,-0.2 0.093 126.9 42.9 107.3 -18.3 56.0 0.4 22.5 85 86 A E T <45S+ 0 0 131 -3,-2.1 -2,-0.2 2,-0.4 3,-0.1 0.675 122.9 22.6-118.9 -65.8 52.8 1.0 24.5 86 87 A H T <5S+ 0 0 33 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.872 137.5 12.8 -76.7 -38.5 50.3 -1.9 24.4 87 88 A V B > - 0 0 64 -2,-0.3 4,-1.8 -5,-0.2 3,-0.7 -0.755 23.3-116.3-106.4 149.5 56.7 -4.3 23.6 89 90 A P H 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 115.8 56.2 -46.0 -44.9 59.2 -5.4 21.0 90 91 A G H 3> S+ 0 0 43 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.854 106.6 50.3 -59.4 -34.5 60.7 -8.1 23.4 91 92 A E H <> S+ 0 0 49 -3,-0.7 4,-1.2 1,-0.2 3,-0.3 0.891 112.0 47.2 -71.8 -39.5 57.2 -9.6 23.8 92 93 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.882 105.9 57.3 -67.7 -41.6 56.7 -9.8 20.1 93 94 A S H < S+ 0 0 23 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.716 110.2 46.6 -64.8 -19.7 60.1 -11.3 19.4 94 95 A E H < S+ 0 0 78 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.758 114.3 45.1 -90.0 -29.9 59.2 -14.2 21.8 95 96 A R H < S+ 0 0 78 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.2 0.486 114.6 49.3 -93.6 -6.3 55.7 -14.8 20.3 96 97 A Y S < S- 0 0 0 -4,-1.2 -91,-0.2 1,-0.1 3,-0.1 -0.944 75.6-129.4-131.7 154.2 56.7 -14.7 16.7 97 98 A D S S- 0 0 7 -93,-2.1 2,-0.3 -2,-0.3 -92,-0.2 0.882 96.7 -2.0 -65.8 -39.7 59.5 -16.3 14.6 98 99 A A E -b 5 0A 1 -94,-1.2 -92,-2.0 -6,-0.1 2,-0.4 -0.984 64.3-150.4-149.9 154.3 60.4 -12.9 13.2 99 100 A V E -be 6 353A 0 253,-2.2 255,-2.5 -2,-0.3 2,-0.5 -0.997 7.6-157.0-128.8 131.5 59.1 -9.3 13.5 100 101 A I E -be 7 354A 0 -94,-2.9 -92,-3.4 -2,-0.4 2,-0.6 -0.951 8.2-148.9-111.2 122.5 59.4 -6.6 10.8 101 102 A Y E +be 8 355A 1 253,-3.4 255,-2.0 -2,-0.5 -92,-0.1 -0.824 28.1 160.1 -91.7 119.3 59.3 -3.0 11.9 102 103 A A + 0 0 6 -94,-3.0 -91,-0.5 -2,-0.6 -88,-0.3 -0.411 21.6 138.0-133.6 51.2 57.8 -0.8 9.2 103 104 A V - 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