==== 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 TRANSCRIPTION REGULATOR 23-MAY-08 3D8U . COMPND 2 MOLECULE: PURR TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS; . AUTHOR K.TAN,C.HATZOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTU . 534 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 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 . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 1 1 0 3 2 3 0 5 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 7 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 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 71 A Y 0 0 123 0, 0.0 31,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 56.3 58.3 92.0 30.9 2 72 A S E -a 32 0A 23 55,-0.5 2,-0.2 29,-0.3 31,-0.2 -0.953 360.0-138.4-164.0 143.2 58.1 88.5 29.6 3 73 A I E -a 33 0A 9 29,-2.3 31,-2.0 -2,-0.3 2,-0.4 -0.650 10.7-135.3-108.6 162.9 60.5 85.8 28.3 4 74 A A E -b 60 0B 5 55,-1.4 57,-1.9 -2,-0.2 2,-0.4 -0.956 13.7-173.4-121.4 131.6 60.3 83.2 25.4 5 75 A L E -b 61 0B 0 -2,-0.4 31,-2.3 55,-0.2 2,-0.4 -0.905 9.4-157.5-110.5 146.6 61.3 79.6 25.4 6 76 A I E -bc 62 36B 3 55,-1.7 57,-0.6 -2,-0.4 31,-0.2 -0.999 11.9-142.6-129.5 138.1 61.4 77.5 22.3 7 77 A I E - c 0 37B 8 29,-3.1 31,-2.7 -2,-0.4 32,-0.8 -0.814 13.5-154.4-113.3 130.9 61.1 73.7 22.4 8 78 A P S S- 0 0 19 0, 0.0 32,-0.7 0, 0.0 2,-0.3 0.892 77.5 -21.0 -61.2 -53.1 62.8 70.9 20.3 9 79 A S - 0 0 7 30,-0.2 6,-0.2 29,-0.1 7,-0.1 -0.986 42.4-135.7-160.1 169.1 60.0 68.3 20.7 10 80 A L S S+ 0 0 42 -2,-0.3 272,-0.1 272,-0.2 273,-0.1 0.532 101.3 65.0-108.7 -12.0 57.1 67.3 22.9 11 81 A F S S+ 0 0 58 271,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.816 79.1 103.2 -73.0 -32.4 57.9 63.6 23.0 12 82 A E > - 0 0 30 1,-0.2 4,-2.2 4,-0.1 -3,-0.1 -0.336 65.2-154.0 -58.3 117.4 61.0 64.6 24.9 13 83 A K H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.773 92.6 65.5 -66.1 -27.8 60.4 63.8 28.6 14 84 A A H > S+ 0 0 12 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.989 108.7 36.8 -51.6 -67.1 62.9 66.5 29.5 15 85 A C H >> S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 3,-1.1 0.874 112.4 62.3 -50.5 -45.8 60.6 69.3 28.0 16 86 A A H 3< S+ 0 0 22 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.932 114.2 29.5 -50.2 -56.1 57.5 67.5 29.2 17 87 A H H 3< S+ 0 0 76 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.349 118.8 56.7 -90.3 3.4 58.4 67.7 32.9 18 88 A F H S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.962 113.0 49.2 -64.6 -62.2 55.2 73.8 33.9 21 91 A S H > S+ 0 0 14 -4,-0.2 4,-2.3 1,-0.2 5,-0.2 0.762 111.2 56.8 -35.7 -38.7 57.5 74.2 36.9 22 92 A F H X S+ 0 0 0 -4,-1.4 4,-2.3 -3,-0.5 -1,-0.2 0.976 113.0 32.1 -67.3 -61.9 59.4 76.8 34.7 23 93 A Q H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.678 116.7 61.5 -74.9 -15.9 56.7 79.3 33.8 24 94 A Q H X S+ 0 0 135 -4,-2.5 4,-2.5 -5,-0.3 3,-0.3 0.987 111.6 35.6 -65.9 -62.9 55.1 78.6 37.1 25 95 A A H X S+ 0 0 32 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.841 117.6 56.6 -58.2 -34.5 58.1 79.8 39.0 26 96 A L H < S+ 0 0 3 -4,-2.3 5,-0.5 -5,-0.2 -1,-0.2 0.867 107.2 47.3 -66.6 -38.8 58.5 82.4 36.2 27 97 A N H >< S+ 0 0 82 -4,-2.0 3,-1.4 -3,-0.3 -2,-0.2 0.969 101.3 63.2 -66.6 -51.5 55.0 83.7 36.8 28 98 A K H 3< S+ 0 0 97 -4,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.814 108.3 47.5 -41.6 -36.2 55.5 83.9 40.6 29 99 A A T 3< S- 0 0 53 -4,-1.1 2,-1.9 -5,-0.2 -1,-0.3 -0.437 122.2 -94.1-112.5 59.0 58.2 86.5 39.7 30 100 A G S < S+ 0 0 70 -3,-1.4 -3,-0.1 -2,-0.3 -4,-0.1 -0.319 85.7 105.4 87.0 -58.6 56.6 88.8 37.2 31 101 A Y - 0 0 17 -2,-1.9 -29,-0.3 -5,-0.5 -2,-0.2 -0.305 53.1-145.7 -76.2 144.2 57.5 87.6 33.7 32 102 A Q E -a 2 0A 40 -31,-0.8 -29,-2.3 -2,-0.0 2,-0.5 -0.473 16.5-120.2 -94.2 172.3 55.2 85.8 31.3 33 103 A L E +a 3 0A 16 -31,-0.2 2,-0.9 -2,-0.2 270,-0.3 -0.907 23.7 178.0-124.6 106.5 56.0 82.9 28.8 34 104 A L - 0 0 43 -31,-2.0 268,-0.1 -2,-0.5 2,-0.1 -0.784 28.2-172.3-103.1 88.8 55.5 83.3 25.1 35 105 A L - 0 0 11 -2,-0.9 266,-1.2 266,-0.4 2,-0.3 -0.353 11.6-153.8 -90.5 162.5 56.9 79.9 24.0 36 106 A G E -c 6 0B 0 -31,-2.3 -29,-3.1 264,-0.1 2,-0.5 -0.950 10.5-132.6-136.3 156.7 57.6 78.5 20.5 37 107 A Y E +c 7 0B 5 262,-0.4 262,-0.1 -2,-0.3 11,-0.1 -0.924 17.4 177.0-118.2 121.4 57.8 75.1 18.8 38 108 A S > - 0 0 10 -31,-2.7 3,-1.7 -2,-0.5 6,-0.3 0.745 28.2-144.0 -92.2 -27.2 60.7 74.1 16.5 39 109 A D T 3 S- 0 0 59 -32,-0.8 -30,-0.2 1,-0.3 3,-0.1 0.794 76.3 -60.4 60.0 31.6 59.9 70.4 15.7 40 110 A Y T 3 S+ 0 0 82 -32,-0.7 2,-0.6 -33,-0.3 -1,-0.3 0.329 104.9 141.0 77.2 -2.6 63.7 69.9 15.8 41 111 A S <> - 0 0 40 -3,-1.7 4,-2.7 -33,-0.2 -1,-0.2 -0.596 41.7-166.5 -82.0 116.0 64.1 72.5 13.0 42 112 A I H > S+ 0 0 53 -2,-0.6 4,-1.7 2,-0.2 26,-0.2 0.953 96.7 52.0 -55.5 -51.3 67.0 74.9 13.3 43 113 A E H > S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.915 112.1 45.7 -48.9 -50.1 65.4 76.9 10.5 44 114 A Q H > S+ 0 0 28 -6,-0.3 4,-2.6 1,-0.2 5,-0.4 0.874 104.2 61.9 -62.4 -42.3 62.1 77.0 12.5 45 115 A E H X S+ 0 0 11 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.892 109.8 43.4 -48.8 -41.4 64.0 77.8 15.7 46 116 A E H X S+ 0 0 21 -4,-1.7 4,-4.4 -3,-0.3 5,-0.2 0.978 109.9 50.9 -73.2 -60.3 65.0 81.0 13.9 47 117 A K H X S+ 0 0 133 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.916 119.1 40.7 -39.9 -58.4 61.7 82.0 12.3 48 118 A L H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.985 116.4 49.4 -50.6 -64.6 60.1 81.6 15.8 49 119 A L H >X S+ 0 0 9 -4,-2.7 4,-1.6 -5,-0.4 3,-0.6 0.906 110.0 53.0 -40.2 -57.0 63.1 83.2 17.5 50 120 A S H 3X S+ 0 0 65 -4,-4.4 4,-0.7 1,-0.2 3,-0.4 0.880 108.2 46.0 -51.5 -53.4 63.1 86.2 15.1 51 121 A T H 3< S+ 0 0 53 -4,-1.9 3,-0.3 1,-0.2 4,-0.2 0.758 107.2 57.4 -72.3 -24.9 59.5 87.3 15.4 52 122 A F H X< S+ 0 0 18 -4,-1.7 3,-1.8 -3,-0.6 -1,-0.2 0.886 100.1 59.9 -66.1 -38.8 59.5 87.1 19.3 53 123 A L H 3< S+ 0 0 37 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.746 83.4 79.7 -61.6 -26.5 62.3 89.6 19.3 54 124 A E T 3< S+ 0 0 155 -4,-0.7 2,-0.6 -3,-0.3 -1,-0.3 0.723 93.8 54.6 -53.1 -26.8 60.1 92.1 17.5 55 125 A S S < S- 0 0 77 -3,-1.8 -1,-0.2 -4,-0.2 0, 0.0 -0.972 110.6-112.9-106.5 113.0 58.7 92.6 21.0 56 126 A R + 0 0 90 -2,-0.6 -54,-0.2 1,-0.2 -3,-0.1 -0.225 45.9 173.6 -49.3 99.8 61.7 93.5 23.3 57 127 A P - 0 0 9 0, 0.0 -55,-0.5 0, 0.0 -1,-0.2 0.718 18.5-157.6 -93.1 -24.6 61.6 90.3 25.4 58 128 A A + 0 0 59 20,-0.1 2,-0.1 -5,-0.1 22,-0.1 0.924 68.3 46.3 40.9 77.2 64.8 90.6 27.7 59 129 A G + 0 0 0 -56,-0.0 -55,-1.4 188,-0.0 2,-0.3 0.018 62.0 178.3 126.7 121.2 65.4 86.9 28.5 60 130 A V E -bd 4 82B 7 21,-2.3 23,-1.9 -57,-0.2 2,-0.4 -0.970 10.8-160.2-156.4 131.9 65.3 83.7 26.3 61 131 A V E +bd 5 83B 0 -57,-1.9 -55,-1.7 -2,-0.3 2,-0.3 -0.948 13.5 172.3-120.6 135.2 65.8 79.9 26.7 62 132 A L E -bd 6 84B 12 21,-2.3 23,-2.4 -2,-0.4 2,-0.4 -0.941 26.8-121.2-137.4 158.6 66.7 77.3 24.1 63 133 A F E S+ d 0 85B 26 -57,-0.6 23,-0.2 -2,-0.3 21,-0.0 -0.789 70.2 12.1-101.2 139.6 67.6 73.6 24.0 64 134 A G S S- 0 0 20 21,-2.7 26,-0.2 -2,-0.4 21,-0.1 -0.081 72.4-104.3 88.1 170.1 70.8 72.3 22.4 65 135 A S S S+ 0 0 27 24,-0.1 2,-0.7 19,-0.1 -1,-0.1 0.621 89.9 99.1-106.0 -25.7 74.0 73.9 21.2 66 136 A E + 0 0 151 24,-0.0 2,-0.3 -3,-0.0 -3,-0.1 -0.559 47.3 144.4 -66.5 107.1 73.1 73.6 17.5 67 137 A H - 0 0 24 -2,-0.7 2,-0.2 23,-0.0 -24,-0.1 -0.964 53.4 -97.6-140.1 157.0 71.7 77.0 16.3 68 138 A S >> - 0 0 27 -2,-0.3 4,-1.2 -26,-0.2 3,-0.8 -0.534 21.9-136.1 -73.2 139.7 72.0 78.9 13.0 69 139 A Q H 3> S+ 0 0 71 1,-0.3 4,-1.2 -2,-0.2 2,-0.7 0.856 103.2 74.2 -60.7 -32.1 74.7 81.6 12.9 70 140 A R H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.074 109.2 27.6 -68.7 27.0 72.0 83.7 11.2 71 141 A T H X> S+ 0 0 9 -3,-0.8 4,-1.7 -2,-0.7 3,-0.9 0.331 101.7 78.9-159.5 -24.6 70.2 84.0 14.6 72 142 A H H 3X S+ 0 0 36 -4,-1.2 4,-3.6 -3,-0.3 -2,-0.1 0.951 98.5 46.0 -53.9 -53.5 73.1 83.7 17.2 73 143 A Q H 3< S+ 0 0 125 -4,-1.2 -1,-0.2 1,-0.2 -3,-0.1 0.294 103.9 63.5 -86.0 10.7 74.1 87.3 16.6 74 144 A L H X> S+ 0 0 38 -3,-0.9 4,-3.4 3,-0.2 3,-0.9 0.823 114.8 32.1 -84.8 -52.7 70.5 88.5 16.8 75 145 A L H 3X>S+ 0 0 10 -4,-1.7 5,-0.7 1,-0.2 4,-0.6 0.964 121.2 50.0 -63.3 -55.5 70.4 87.3 20.4 76 146 A E H 3<5S+ 0 0 56 -4,-3.6 -1,-0.2 -5,-0.2 -3,-0.1 0.023 120.7 41.9 -73.2 30.5 74.1 88.1 20.9 77 147 A A H <45S+ 0 0 64 -3,-0.9 -2,-0.2 -2,-0.3 -3,-0.2 0.372 110.7 45.6-131.8 -69.8 73.1 91.5 19.4 78 148 A S H <5S- 0 0 66 -4,-3.4 -3,-0.2 1,-0.1 -2,-0.2 0.460 103.9-142.2 -57.4 2.2 69.8 92.6 20.8 79 149 A N T <5 + 0 0 138 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.762 42.0 155.9 33.2 56.2 71.7 91.5 24.0 80 150 A T < - 0 0 14 -5,-0.7 -1,-0.1 -22,-0.1 2,-0.1 -0.861 53.9 -96.0 -96.9 142.2 68.8 89.9 25.9 81 151 A P - 0 0 33 0, 0.0 -21,-2.3 0, 0.0 2,-0.4 -0.391 45.7-162.7 -64.8 136.4 70.1 87.2 28.4 82 152 A V E -d 60 0B 5 -23,-0.2 13,-0.9 -2,-0.1 2,-0.4 -0.968 13.0-162.2-131.9 126.1 70.0 83.6 27.1 83 153 A L E -de 61 95B 2 -23,-1.9 -21,-2.3 -2,-0.4 2,-0.5 -0.803 6.9-158.5 -99.6 144.3 70.1 80.2 28.7 84 154 A E E -de 62 96B 0 11,-1.5 13,-2.2 -2,-0.4 2,-0.7 -0.992 7.6-151.7-116.7 126.6 70.9 77.0 26.9 85 155 A I E +de 63 97B 22 -23,-2.4 -21,-2.7 -2,-0.5 13,-0.3 -0.918 63.0 84.3 -95.0 114.2 69.8 73.6 28.3 86 156 A A S S- 0 0 16 11,-1.3 11,-0.1 -2,-0.7 -2,-0.1 -0.889 86.3-102.5 169.1 169.3 72.5 71.3 26.9 87 157 A E S S+ 0 0 59 -2,-0.3 2,-0.5 11,-0.1 11,-0.1 0.910 105.2 57.0 -83.3 -45.3 76.0 70.2 28.0 88 158 A L S S- 0 0 105 -3,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.746 75.9-148.1 -89.4 124.0 77.9 72.4 25.5 89 159 A S - 0 0 45 -2,-0.5 -24,-0.1 1,-0.1 7,-0.1 -0.837 4.4-153.6 -91.7 130.0 77.2 76.1 25.5 90 160 A S S S+ 0 0 49 -2,-0.5 -1,-0.1 -26,-0.2 -25,-0.1 0.770 91.5 13.5 -77.9 -33.1 77.5 77.6 22.0 91 161 A K S S- 0 0 45 4,-0.1 -1,-0.1 3,-0.1 -2,-0.1 0.641 82.6-160.9-110.6 -30.3 78.4 81.2 23.0 92 162 A A S S+ 0 0 67 1,-0.2 4,-0.1 3,-0.2 -2,-0.0 0.435 77.0 87.2 61.7 -0.7 79.2 80.6 26.6 93 163 A S S S+ 0 0 107 2,-0.1 -1,-0.2 -11,-0.0 2,-0.1 0.729 86.3 71.2 -78.6 -36.8 78.9 84.2 27.5 94 164 A Y S S- 0 0 27 1,-0.1 -11,-0.2 -13,-0.1 -2,-0.2 -0.459 99.6 -91.2 -81.7 158.9 75.3 83.1 27.9 95 165 A L E -e 83 0B 55 -13,-0.9 -11,-1.5 -2,-0.1 2,-0.3 0.022 39.2-156.1 -72.6 166.7 74.0 80.9 30.7 96 166 A N E +e 84 0B 47 -13,-0.2 2,-0.3 -4,-0.1 -11,-0.2 -0.993 24.6 173.6-153.2 139.3 73.8 77.1 30.9 97 167 A I E +e 85 0B 24 -13,-2.2 -11,-1.3 -2,-0.3 2,-0.3 -0.958 30.9 144.0-137.4 121.8 72.1 74.1 32.5 98 168 A G - 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