==== 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 DNA BINDING PROTEIN 18-JUN-07 2JR1 . COMPND 2 MOLECULE: VIRULENCE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: XYLELLA FASTIDIOSA; . AUTHOR L.K.ROSSELLI,M.L.SFORCA,A.P.SOUZA,A.C.ZERI . 79 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 49.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 10.1 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 . 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 . 13 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 16.5 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+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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A F 0 0 214 0, 0.0 38,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.5 -11.1 10.4 -4.0 2 2 A N + 0 0 109 1,-0.2 2,-0.7 36,-0.1 37,-0.1 0.975 360.0 46.5 -67.6 -55.7 -8.5 13.0 -5.2 3 3 A V S S+ 0 0 92 30,-0.0 2,-0.2 66,-0.0 -1,-0.2 -0.819 79.7 137.2 -84.1 111.7 -7.8 14.4 -1.6 4 4 A K - 0 0 113 -2,-0.7 35,-0.1 -3,-0.1 29,-0.1 -0.729 46.0-130.0-162.4 110.6 -7.4 11.2 0.5 5 5 A Q - 0 0 110 -2,-0.2 67,-0.1 1,-0.1 68,-0.1 0.018 37.3 -76.9 -71.2 168.6 -4.6 10.8 3.2 6 6 A K - 0 0 26 66,-0.3 2,-0.2 24,-0.1 -1,-0.1 -0.044 32.7-175.4 -79.9 162.5 -2.2 7.8 3.5 7 7 A S - 0 0 64 2,-0.0 2,-0.6 23,-0.0 23,-0.2 -0.794 0.2-176.7-154.7 111.1 -2.4 4.1 4.9 8 8 A E - 0 0 78 -2,-0.2 2,-0.3 21,-0.2 21,-0.2 -0.950 16.5-175.6-114.0 110.6 0.6 1.7 5.1 9 9 A I B -A 28 0A 98 19,-2.3 19,-1.2 -2,-0.6 -2,-0.0 -0.853 20.8-113.8-118.9 144.3 -0.5 -1.8 6.3 10 10 A T - 0 0 127 -2,-0.3 17,-0.1 1,-0.1 -1,-0.1 -0.206 42.4 -77.4 -77.3 160.2 1.5 -5.0 7.2 11 11 A A - 0 0 49 1,-0.0 2,-0.3 12,-0.0 -1,-0.1 -0.181 45.5-168.7 -64.4 146.5 1.6 -8.4 5.4 12 12 A L - 0 0 108 12,-0.4 12,-0.2 0, 0.0 14,-0.1 -0.918 30.8 -90.4-134.3 153.8 -1.1 -11.1 5.8 13 13 A V - 0 0 86 -2,-0.3 8,-0.0 10,-0.1 9,-0.0 -0.402 63.7 -84.6 -66.7 144.2 -1.7 -14.8 5.0 14 14 A K - 0 0 58 8,-2.4 2,-0.5 1,-0.1 8,-0.2 -0.147 26.7-121.7 -70.5 142.3 -3.4 -15.3 1.5 15 15 A E + 0 0 111 6,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.636 48.1 153.8 -70.9 117.1 -7.1 -15.2 0.4 16 16 A V - 0 0 69 -2,-0.5 4,-0.1 1,-0.1 5,-0.0 -0.982 50.0-120.1-148.3 142.2 -7.8 -18.7 -1.2 17 17 A T S S+ 0 0 152 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.921 96.0 48.3 -59.5 -54.9 -11.3 -20.6 -1.4 18 18 A P S S- 0 0 78 0, 0.0 2,-2.4 0, 0.0 -2,-0.1 -0.429 108.1 -88.0 -78.1 164.8 -10.3 -23.9 0.6 19 19 A P S S+ 0 0 140 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.302 86.0 119.1 -74.5 68.7 -8.5 -23.7 4.1 20 20 A R - 0 0 204 -2,-2.4 2,-0.9 -4,-0.1 -6,-0.0 -0.914 49.4-157.7-134.6 101.1 -4.9 -23.6 2.8 21 21 A K - 0 0 111 -2,-0.4 -6,-0.1 -8,-0.0 -8,-0.0 -0.721 1.7-160.0 -94.6 103.5 -3.0 -20.4 3.8 22 22 A A - 0 0 49 -2,-0.9 -8,-2.4 -8,-0.2 2,-2.0 -0.574 29.4-114.7 -73.3 138.8 0.0 -19.4 1.6 23 23 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 -0.415 45.2-171.9 -79.3 75.3 2.6 -16.9 3.3 24 24 A S - 0 0 18 -2,-2.0 2,-1.5 -12,-0.2 -12,-0.4 -0.477 28.8-130.5 -76.8 130.2 2.0 -13.9 1.0 25 25 A K E - B 0 45A 125 20,-0.6 20,-1.8 -2,-0.3 2,-0.5 -0.606 38.4-174.0 -75.7 88.4 4.1 -10.8 1.1 26 26 A A E + B 0 44A 4 -2,-1.5 2,-0.4 18,-0.2 18,-0.2 -0.775 11.1 179.1 -95.3 124.2 1.2 -8.3 1.2 27 27 A K E - B 0 43A 52 16,-2.0 16,-2.3 -2,-0.5 2,-0.5 -0.994 7.4-178.2-129.0 125.7 1.9 -4.5 1.0 28 28 A R E +AB 9 42A 91 -19,-1.2 -19,-2.3 -2,-0.4 2,-0.3 -0.931 24.8 153.3-127.5 100.7 -0.9 -1.9 1.1 29 29 A E E - B 0 41A 10 12,-1.2 12,-2.5 -2,-0.5 11,-0.6 -0.984 40.3-137.9-135.4 143.6 0.5 1.7 0.7 30 30 A A + 0 0 2 -2,-0.3 44,-0.3 10,-0.3 9,-0.1 -0.894 29.0 164.3 -92.3 119.4 -0.4 5.2 -0.5 31 31 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 43,-0.2 0.504 53.9 -25.3 -91.5-113.3 2.4 7.1 -2.5 32 32 A I > - 0 0 2 1,-0.1 4,-2.3 41,-0.1 3,-0.4 -0.863 31.0-154.0-116.5 135.2 1.4 10.2 -4.6 33 33 A K T 4 S+ 0 0 16 -2,-0.4 -1,-0.1 1,-0.2 -30,-0.0 0.740 96.8 66.6 -69.7 -25.5 -1.9 11.4 -6.3 34 34 A Y T 4 S+ 0 0 157 1,-0.1 -1,-0.2 3,-0.0 31,-0.0 0.821 116.3 25.0 -62.4 -35.6 0.1 13.4 -8.9 35 35 A W T 4 S+ 0 0 181 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.1 0.867 129.4 36.6 -92.9 -51.9 1.6 10.1 -10.5 36 36 A L < - 0 0 61 -4,-2.3 -1,-0.2 1,-0.1 3,-0.0 -0.912 69.4-143.1-106.7 130.0 -1.1 7.4 -9.6 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.750 95.1 46.0 -65.0 -23.0 -5.0 8.3 -9.6 38 38 A H S S- 0 0 140 -6,-0.1 2,-0.9 0, 0.0 -6,-0.1 -0.958 73.7-160.8-115.0 113.1 -5.7 6.0 -6.5 39 39 A S S S+ 0 0 11 -2,-0.5 -9,-0.3 -38,-0.3 -6,-0.1 -0.809 72.4 65.4 -90.6 101.1 -3.1 6.4 -3.6 40 40 A G - 0 0 30 -2,-0.9 2,-0.5 -11,-0.6 -10,-0.3 0.230 65.8-176.9 145.1 76.8 -3.6 3.2 -1.6 41 41 A A E -B 29 0A 40 -12,-2.5 -12,-1.2 2,-0.0 2,-0.6 -0.890 15.1-150.3-112.2 118.9 -2.5 0.1 -3.7 42 42 A T E +B 28 0A 93 -2,-0.5 2,-0.4 -14,-0.2 -14,-0.2 -0.756 17.7 174.8 -87.5 119.5 -2.9 -3.6 -2.4 43 43 A W E -B 27 0A 127 -16,-2.3 -16,-2.0 -2,-0.6 2,-0.8 -0.938 8.9-171.7-124.4 110.4 -0.3 -6.1 -3.8 44 44 A S E S+B 26 0A 43 -2,-0.4 -18,-0.2 -18,-0.2 2,-0.1 -0.861 71.1 21.7 -97.1 101.6 -0.4 -9.7 -2.3 45 45 A G E S+B 25 0A 41 -20,-1.8 -20,-0.6 -2,-0.8 2,-0.3 -0.577 102.2 63.3 150.1 -82.5 2.8 -11.6 -3.6 46 46 A R S S- 0 0 161 -2,-0.1 2,-2.0 -22,-0.1 -1,-0.2 -0.612 86.2-112.6 -77.1 136.7 5.8 -9.6 -4.8 47 47 A G + 0 0 43 -2,-0.3 2,-0.5 -3,-0.1 -21,-0.1 -0.437 45.8 171.9 -75.2 77.2 7.5 -7.5 -2.1 48 48 A K + 0 0 25 -2,-2.0 -5,-0.1 -23,-0.3 -3,-0.0 -0.749 8.7 169.8 -85.5 124.0 6.7 -3.9 -3.2 49 49 A I - 0 0 92 -2,-0.5 2,-0.4 -22,-0.0 4,-0.2 -0.932 22.6-153.9-129.1 110.9 7.6 -1.0 -0.8 50 50 A P > + 0 0 21 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.123 63.2 110.4 -80.1 32.9 7.4 2.6 -2.4 51 51 A K H > S+ 0 0 66 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.933 76.1 47.6 -71.1 -48.8 10.0 4.2 -0.1 52 52 A P H > S+ 0 0 107 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.838 118.0 46.2 -60.6 -28.4 12.9 4.8 -2.7 53 53 A F H > S+ 0 0 70 -4,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.986 115.5 42.6 -67.5 -63.4 10.1 6.3 -5.0 54 54 A E H < S+ 0 0 0 -4,-3.0 22,-0.4 1,-0.2 -3,-0.2 0.765 114.2 54.0 -57.6 -29.4 8.4 8.5 -2.3 55 55 A A H >X S+ 0 0 7 -4,-2.5 4,-2.1 2,-0.2 3,-1.4 0.956 113.9 38.5 -65.3 -54.7 12.0 9.6 -1.0 56 56 A W H 3X S+ 0 0 211 -4,-1.4 4,-0.5 1,-0.3 5,-0.5 0.868 112.5 58.3 -69.0 -31.9 13.2 10.8 -4.6 57 57 A I H 3< S+ 0 0 34 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.459 119.1 33.6 -64.7 -1.0 9.6 12.2 -5.1 58 58 A G H <> S+ 0 0 11 -3,-1.4 4,-0.7 -5,-0.2 -2,-0.2 0.638 89.5 88.6-124.1 -22.1 10.4 14.3 -1.9 59 59 A T H < S- 0 0 83 -4,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.836 126.4 -16.2 -49.2 -45.7 14.3 15.1 -1.9 60 60 A A T >< S+ 0 0 81 -4,-0.5 3,-1.0 2,-0.0 4,-0.4 0.553 133.0 70.6-122.4 -33.6 13.6 18.4 -3.9 61 61 A A T >> S+ 0 0 42 -5,-0.5 4,-3.0 1,-0.2 3,-0.7 0.715 76.9 82.7 -58.9 -26.7 10.0 17.8 -5.3 62 62 A Y H 3X S+ 0 0 68 -4,-0.7 4,-2.7 1,-0.2 -1,-0.2 0.822 86.6 56.4 -45.9 -42.1 8.2 18.2 -1.8 63 63 A T H <> S+ 0 0 123 -3,-1.0 4,-0.7 -5,-0.2 -1,-0.2 0.873 115.2 37.3 -61.6 -38.4 8.3 22.1 -2.1 64 64 A A H <> S+ 0 0 48 -3,-0.7 4,-1.6 -4,-0.4 -2,-0.2 0.870 115.9 54.3 -75.3 -40.4 6.4 22.0 -5.5 65 65 A W H X S+ 0 0 10 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.879 103.4 56.3 -55.2 -43.7 4.2 19.0 -4.2 66 66 A K H < S+ 0 0 82 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.801 106.3 50.3 -61.7 -33.8 3.1 21.0 -1.1 67 67 A A H < S+ 0 0 93 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.860 114.4 45.0 -65.7 -38.6 1.8 23.8 -3.5 68 68 A K H < S+ 0 0 107 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.868 129.2 14.0 -73.0 -40.9 -0.2 21.2 -5.5 69 69 A H S < S- 0 0 35 -4,-2.7 -1,-0.2 1,-0.2 4,-0.1 -0.984 78.2-119.5-139.1 152.5 -1.7 19.2 -2.4 70 70 A P S S- 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.948 85.9 -43.1 -69.0 -69.2 -1.8 20.3 1.4 71 71 A D S S+ 0 0 60 -6,-0.0 -5,-0.1 3,-0.0 -6,-0.0 -0.327 91.7 135.9-141.1 69.5 0.1 17.5 3.1 72 72 A E + 0 0 11 -7,-0.2 -66,-0.3 -67,-0.1 2,-0.2 0.893 55.9 70.4 -71.9 -42.1 -1.2 14.4 1.2 73 73 A K S S- 0 0 1 -4,-0.1 -41,-0.1 -68,-0.1 -68,-0.0 -0.525 91.6-109.1 -79.8 144.8 2.3 12.6 0.6 74 74 A F - 0 0 103 -44,-0.3 2,-1.6 -2,-0.2 -1,-0.1 -0.608 36.8-116.2 -73.1 122.1 4.3 11.0 3.5 75 75 A P + 0 0 80 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.330 49.9 172.0 -71.3 86.3 7.5 13.3 4.1 76 76 A A - 0 0 20 -2,-1.6 -18,-0.1 -22,-0.4 -3,-0.0 -0.779 20.2-161.2-103.0 133.3 10.3 10.9 3.2 77 77 A F - 0 0 165 -2,-0.4 2,-0.9 -19,-0.1 -21,-0.1 -0.700 37.8 -93.9 -99.5 160.1 14.1 11.5 2.8 78 78 A P 0 0 83 0, 0.0 -27,-0.0 0, 0.0 -2,-0.0 -0.643 360.0 360.0 -77.5 105.6 16.7 9.3 0.9 79 79 A G 0 0 110 -2,-0.9 -2,-0.0 0, 0.0 0, 0.0 -0.355 360.0 360.0-140.1 360.0 18.1 7.0 3.7