==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-DEC-09 2WZV . COMPND 2 MOLECULE: NFNB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR M.BELLINZONI,G.MANINA,G.RICCARDI,P.M.ALZARI . 445 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 10.6 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 . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.2 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 2 0 0 0 2 0 0 4 2 0 0 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 4 0 1 1 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 0 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 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 13 A D > 0 0 132 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 172.3 -11.8 -103.2 -41.3 2 14 A L H > + 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.842 360.0 56.4 -59.1 -38.0 -13.7 -102.7 -37.9 3 15 A A H > S+ 0 0 24 381,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 110.5 44.6 -61.6 -45.3 -10.5 -101.5 -36.1 4 16 A Q H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.879 112.4 52.2 -65.0 -42.6 -10.0 -98.7 -38.7 5 17 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.922 108.7 50.2 -61.9 -41.8 -13.7 -97.7 -38.6 6 18 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.904 111.4 49.0 -61.7 -42.4 -13.5 -97.4 -34.8 7 19 A E H X S+ 0 0 64 -4,-2.0 4,-2.7 1,-0.2 5,-0.5 0.934 111.9 49.1 -61.0 -47.7 -10.4 -95.2 -35.1 8 20 A R H X S+ 0 0 155 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.864 116.3 42.5 -60.3 -39.7 -12.2 -93.0 -37.8 9 21 A L H X S+ 0 0 6 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.942 119.2 40.9 -70.9 -52.6 -15.4 -92.7 -35.6 10 22 A I H < S+ 0 0 3 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.880 125.8 34.5 -68.9 -41.8 -13.7 -92.1 -32.2 11 23 A K H < S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.3 -3,-0.2 0.807 115.5 57.6 -81.9 -29.3 -11.0 -89.7 -33.5 12 24 A G H < S+ 0 0 28 -4,-1.3 2,-0.3 -5,-0.5 -2,-0.2 0.795 84.9 90.9 -70.6 -34.1 -13.2 -88.2 -36.2 13 25 A R < + 0 0 11 -4,-1.7 2,-0.3 -5,-0.1 151,-0.1 -0.515 56.2 164.4 -65.8 126.4 -15.9 -87.0 -33.7 14 26 A R - 0 0 107 -2,-0.3 2,-0.8 151,-0.2 151,-0.7 -0.940 49.1 -93.6-138.4 160.6 -15.0 -83.4 -32.6 15 27 A A B -a 165 0A 28 -2,-0.3 2,-0.5 151,-0.1 151,-0.3 -0.694 46.7-157.2 -80.5 110.4 -16.9 -80.6 -30.8 16 28 A V - 0 0 17 149,-2.3 178,-0.1 -2,-0.8 189,-0.1 -0.838 17.9-178.9 -95.0 129.7 -18.2 -78.6 -33.8 17 29 A R + 0 0 31 -2,-0.5 2,-0.3 1,-0.2 187,-0.1 0.055 65.1 51.1-122.7 27.0 -19.1 -75.0 -33.1 18 30 A A - 0 0 19 184,-0.1 181,-2.3 106,-0.1 2,-0.3 -0.873 67.7-172.4-163.0 123.3 -20.4 -73.7 -36.5 19 31 A F B -F 198 0B 17 106,-1.5 179,-0.2 -2,-0.3 176,-0.0 -0.895 24.6-121.0-123.6 154.2 -23.1 -75.5 -38.5 20 32 A R - 0 0 113 177,-3.1 177,-0.4 -2,-0.3 179,-0.1 -0.431 33.4-117.7 -79.0 162.3 -24.8 -75.3 -41.9 21 33 A P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 105,-0.0 0.682 74.6 120.4 -77.2 -18.1 -28.6 -74.8 -41.9 22 34 A D - 0 0 77 1,-0.1 175,-0.4 175,-0.1 2,-0.2 -0.212 60.7-129.8 -53.5 126.9 -29.4 -78.2 -43.6 23 35 A E - 0 0 114 173,-0.1 -1,-0.1 105,-0.1 173,-0.1 -0.489 18.1-110.7 -79.4 151.7 -31.5 -80.5 -41.6 24 36 A V - 0 0 4 -2,-0.2 5,-0.1 171,-0.1 -1,-0.1 -0.652 46.7-101.8 -74.2 130.0 -30.7 -84.2 -40.9 25 37 A P >> - 0 0 71 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.244 28.1-120.2 -56.6 141.5 -33.2 -86.4 -42.8 26 38 A E H 3> S+ 0 0 133 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 112.0 50.9 -52.2 -46.3 -36.0 -87.8 -40.6 27 39 A E H 3> S+ 0 0 133 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.846 111.1 48.9 -64.3 -32.4 -35.1 -91.4 -41.3 28 40 A T H <> S+ 0 0 37 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.916 110.6 51.0 -71.2 -41.9 -31.4 -90.8 -40.5 29 41 A X H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.923 111.1 47.7 -60.8 -44.8 -32.4 -89.0 -37.2 30 42 A R H X S+ 0 0 85 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.923 112.1 50.2 -62.6 -42.3 -34.6 -92.0 -36.2 31 43 A A H X S+ 0 0 36 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 111.5 48.4 -61.4 -43.2 -31.8 -94.5 -37.0 32 44 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.921 114.7 43.7 -64.8 -48.6 -29.2 -92.5 -35.0 33 45 A F H X S+ 0 0 1 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.828 114.0 51.5 -68.8 -31.3 -31.5 -92.2 -31.9 34 46 A E H < S+ 0 0 95 -4,-2.3 3,-0.4 -5,-0.2 4,-0.3 0.928 111.9 47.1 -67.2 -47.7 -32.6 -95.9 -32.2 35 47 A L H >< S+ 0 0 13 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.924 106.0 57.4 -61.5 -43.6 -28.9 -96.9 -32.4 36 48 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.807 93.1 70.7 -56.8 -32.0 -27.9 -94.7 -29.4 37 49 A G T 3< S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.4 399,-0.2 0.673 81.6 74.3 -59.4 -18.6 -30.6 -96.6 -27.3 38 50 A H T < + 0 0 58 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.427 67.3 123.1 -78.8 4.5 -28.2 -99.7 -27.4 39 51 A A < - 0 0 0 -3,-1.9 111,-0.1 -4,-0.1 7,-0.1 -0.339 65.7-120.8 -58.8 140.6 -25.9 -98.0 -24.9 40 52 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 110,-0.1 -0.341 35.2 178.0 -77.8 169.8 -25.4 -100.3 -21.8 41 53 A S > - 0 0 19 108,-0.1 3,-2.2 -2,-0.1 2,-0.1 -0.969 42.9 -65.9-165.6 159.2 -26.4 -99.1 -18.3 42 54 A N G > S- 0 0 47 -2,-0.3 3,-2.1 1,-0.3 4,-0.1 -0.377 121.4 -12.1 -53.9 122.3 -26.6 -100.3 -14.7 43 55 A S G 3 S- 0 0 37 1,-0.3 277,-0.3 2,-0.1 -1,-0.3 0.683 117.2 -76.6 55.5 25.3 -29.2 -103.2 -14.6 44 56 A N G < S+ 0 0 10 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.797 89.2 147.8 55.8 31.6 -30.3 -102.1 -18.2 45 57 A T < - 0 0 0 -3,-2.1 271,-0.1 271,-0.1 -2,-0.1 0.720 36.9-159.9 -67.8 -25.5 -32.2 -99.2 -16.5 46 58 A Q - 0 0 4 1,-0.2 -5,-0.1 -4,-0.1 -3,-0.0 0.920 11.5-175.1 44.9 60.2 -31.6 -96.9 -19.6 47 59 A P + 0 0 4 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.546 39.5 115.0 -70.5 -5.0 -32.2 -93.8 -17.4 48 60 A W - 0 0 7 87,-0.1 2,-0.4 98,-0.1 87,-0.2 -0.384 41.3-174.5 -70.6 139.9 -32.0 -91.4 -20.3 49 61 A H E -B 134 0A 23 85,-2.1 85,-2.8 -2,-0.1 2,-0.5 -0.988 16.6-161.7-130.1 118.4 -35.0 -89.3 -21.5 50 62 A V E -Bc 133 442A 0 391,-3.3 393,-2.7 -2,-0.4 2,-0.6 -0.920 13.1-164.2-117.1 124.6 -34.1 -87.4 -24.7 51 63 A E E -Bc 132 443A 18 81,-2.4 81,-3.0 -2,-0.5 2,-0.5 -0.908 9.5-164.6-104.9 110.8 -35.9 -84.3 -26.2 52 64 A V E -Bc 131 444A 1 391,-3.6 393,-2.7 -2,-0.6 2,-0.4 -0.856 9.2-167.3 -98.7 125.0 -34.9 -83.7 -29.8 53 65 A V E +Bc 130 445A 0 77,-2.8 77,-1.9 -2,-0.5 2,-0.2 -0.966 14.5 157.2-122.3 131.5 -35.9 -80.2 -31.0 54 66 A S >> + 0 0 13 391,-2.3 4,-1.7 -2,-0.4 3,-0.7 -0.771 43.6 8.1-137.4 176.9 -36.0 -78.9 -34.6 55 67 A G H 3> S- 0 0 24 73,-0.5 4,-2.0 -2,-0.2 3,-0.2 -0.061 122.7 -9.8 51.6-141.5 -37.6 -76.2 -36.7 56 68 A A H 3> S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.836 136.4 56.7 -59.9 -35.0 -39.7 -73.4 -35.2 57 69 A A H <> S+ 0 0 25 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.906 108.1 47.8 -63.7 -40.9 -39.7 -75.2 -31.7 58 70 A R H X S+ 0 0 26 -4,-1.7 4,-2.7 -3,-0.2 -2,-0.2 0.896 111.9 50.5 -64.7 -40.3 -35.8 -75.1 -31.9 59 71 A D H X S+ 0 0 86 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 111.2 47.3 -62.4 -46.9 -36.0 -71.4 -32.8 60 72 A R H X S+ 0 0 175 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.899 113.4 49.3 -61.2 -42.5 -38.4 -70.6 -29.9 61 73 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 110.2 49.9 -62.9 -47.9 -36.1 -72.6 -27.5 62 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.926 113.0 47.0 -58.8 -45.9 -32.9 -70.8 -28.7 63 75 A E H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.883 110.3 52.1 -64.7 -37.3 -34.6 -67.4 -28.2 64 76 A A H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.884 111.2 48.2 -64.4 -39.9 -35.9 -68.4 -24.7 65 77 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 110.5 50.1 -66.0 -44.7 -32.3 -69.4 -23.7 66 78 A V H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.910 114.2 45.9 -58.0 -45.0 -30.9 -66.0 -25.1 67 79 A T H X S+ 0 0 62 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.911 111.5 50.8 -65.0 -45.5 -33.5 -64.1 -23.1 68 80 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.2 0.911 112.8 47.1 -60.6 -43.1 -33.0 -66.2 -19.8 69 81 A H H ><5S+ 0 0 30 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.922 111.3 50.4 -63.1 -46.3 -29.2 -65.6 -20.1 70 82 A A H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 113.8 45.9 -62.2 -30.3 -29.7 -61.8 -20.7 71 83 A E T 3<5S- 0 0 115 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.349 112.9-121.1 -93.7 1.2 -32.0 -61.6 -17.7 72 84 A E T < 5 + 0 0 168 -3,-1.4 2,-1.5 -4,-0.2 -3,-0.2 0.783 57.8 154.0 60.2 35.1 -29.5 -63.7 -15.5 73 85 A R < + 0 0 106 -5,-2.9 2,-0.3 -6,-0.2 104,-0.2 -0.444 17.0 173.5 -91.3 62.9 -32.1 -66.4 -14.9 74 86 A V + 0 0 84 -2,-1.5 2,-0.4 -5,-0.1 100,-0.2 -0.579 7.5 178.7 -72.7 128.1 -29.6 -69.1 -14.4 75 87 A T B -g 174 0C 34 98,-2.2 100,-2.7 -2,-0.3 2,-0.4 -0.952 5.6-177.1-135.4 108.9 -31.3 -72.4 -13.2 76 88 A V - 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