==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN/DNA 06-AUG-09 3IL2 . COMPND 2 MOLECULE: REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS HB27; . AUTHOR K.J.MCLAUGHLIN,C.L.KIELKOPF . 410 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 2 2 2 1 3 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 0 A G 0 0 87 0, 0.0 51,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.6 33.6 -12.7 13.3 2 1 A X + 0 0 168 1,-0.1 2,-0.8 2,-0.1 0, 0.0 0.597 360.0 81.3 -40.8 -20.5 31.5 -15.8 12.9 3 2 A K S S- 0 0 181 408,-0.0 -1,-0.1 1,-0.0 49,-0.0 -0.830 81.8-140.4 -97.4 107.0 29.9 -15.1 16.3 4 3 A V - 0 0 13 -2,-0.8 2,-0.1 48,-0.1 -2,-0.1 -0.448 11.2-126.7 -68.6 125.0 27.2 -12.5 15.8 5 4 A P >> - 0 0 53 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.489 17.7-131.1 -70.8 142.0 26.9 -9.8 18.5 6 5 A E H >> S+ 0 0 125 1,-0.3 4,-0.8 2,-0.2 3,-0.7 0.771 105.3 66.2 -66.4 -21.8 23.3 -9.7 19.7 7 6 A A H 3> S+ 0 0 47 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.780 93.9 62.1 -66.9 -25.4 23.2 -6.0 19.3 8 7 A A H <> S+ 0 0 0 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.787 97.4 56.9 -70.5 -26.4 23.6 -6.6 15.6 9 8 A I H X>S+ 0 0 8 -4,-2.1 3,-3.4 2,-0.2 4,-1.3 0.988 110.9 47.8 -53.7 -66.4 11.2 1.8 1.3 23 22 A E H ><5S+ 0 0 76 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.898 111.0 53.3 -40.0 -49.7 9.5 -0.9 -0.7 24 23 A A H 3<5S+ 0 0 83 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.752 108.6 50.0 -58.4 -24.8 6.2 0.7 0.4 25 24 A Q H <<5S- 0 0 124 -3,-3.4 -1,-0.3 -4,-1.4 -2,-0.2 0.559 121.6-111.1 -88.8 -12.1 7.6 4.0 -1.0 26 25 A G T <<5 + 0 0 61 -3,-1.9 -3,-0.2 -4,-1.3 2,-0.1 0.511 65.0 148.6 95.9 5.7 8.5 2.3 -4.3 27 26 A V < - 0 0 48 -5,-1.2 -1,-0.3 -6,-0.2 3,-0.1 -0.480 23.4-177.6 -74.2 147.0 12.2 2.4 -4.0 28 27 A H + 0 0 118 1,-0.3 35,-0.9 -2,-0.1 2,-0.4 0.656 62.4 44.0-118.4 -21.9 14.2 -0.4 -5.5 29 28 A R B +A 62 0A 138 33,-0.2 -1,-0.3 34,-0.1 2,-0.3 -0.987 58.4 170.5-130.2 135.6 17.8 0.3 -4.7 30 29 A T - 0 0 4 31,-2.1 2,-0.3 -2,-0.4 3,-0.1 -0.786 16.3-140.7-130.9 176.4 19.4 1.3 -1.5 31 30 A S > - 0 0 43 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.920 31.1-103.3-140.0 165.1 23.0 1.7 -0.2 32 31 A S H > S+ 0 0 15 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.926 124.4 46.4 -49.8 -50.5 25.1 1.1 2.8 33 32 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.822 110.6 53.7 -64.6 -32.5 25.0 4.9 3.5 34 33 A Q H > S+ 0 0 57 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.942 109.9 46.0 -68.5 -49.8 21.3 5.1 2.9 35 34 A L H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.957 112.2 50.5 -56.8 -53.4 20.4 2.4 5.4 36 35 A G H X>S+ 0 0 0 -4,-2.3 5,-1.7 -5,-0.3 4,-1.7 0.914 107.0 55.3 -52.4 -45.3 22.7 3.8 8.0 37 36 A E H ><5S+ 0 0 122 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.940 113.3 41.1 -53.1 -50.0 21.2 7.3 7.6 38 37 A L H 3<5S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.766 121.2 41.8 -73.1 -24.2 17.8 5.9 8.2 39 38 A A H 3<5S- 0 0 11 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.420 108.0-121.5-100.7 -2.5 18.9 3.6 11.1 40 39 A Q T <<5S+ 0 0 110 -4,-1.7 2,-0.3 -3,-0.5 -3,-0.2 0.942 75.7 106.4 59.3 51.4 21.2 6.2 12.6 41 40 A V S - 0 0 81 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.532 31.1-119.9 -85.1 150.5 27.4 4.2 10.1 43 42 A A H > S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.754 114.7 63.1 -55.8 -20.4 27.4 2.6 6.7 44 43 A F H > S+ 0 0 148 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.974 101.2 46.5 -66.9 -53.1 30.2 0.5 8.2 45 44 A Q H > S+ 0 0 62 -3,-0.5 4,-3.2 1,-0.2 5,-0.2 0.861 109.6 55.5 -58.7 -36.7 28.1 -1.1 10.8 46 45 A V H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.965 111.0 43.8 -61.2 -48.9 25.4 -1.8 8.3 47 46 A R H X S+ 0 0 114 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 116.1 48.7 -62.0 -39.9 27.9 -3.7 6.1 48 47 A K H X S+ 0 0 101 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.881 108.2 52.4 -68.1 -38.4 29.3 -5.4 9.1 49 48 A D H < S+ 0 0 0 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.824 114.8 44.8 -66.6 -28.9 25.9 -6.4 10.4 50 49 A L H >X S+ 0 0 6 -4,-1.8 4,-1.7 -5,-0.2 3,-1.6 0.816 101.6 64.7 -83.9 -32.5 25.2 -7.9 7.0 51 50 A S H 3< S+ 0 0 68 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.788 87.1 71.2 -63.2 -27.3 28.5 -9.7 6.6 52 51 A Y T 3< S+ 0 0 39 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.751 114.5 26.1 -61.3 -20.6 27.8 -12.0 9.5 53 52 A F T <4 S- 0 0 60 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.658 122.9 -65.2-117.4 -20.9 25.3 -13.6 7.3 54 53 A G < - 0 0 24 -4,-1.7 2,-0.8 0, 0.0 -1,-0.3 -0.954 48.3 -70.0 159.5-179.0 26.3 -13.1 3.7 55 54 A S + 0 0 120 -2,-0.3 -4,-0.1 1,-0.1 -5,-0.0 -0.820 47.6 155.8-110.9 90.0 26.9 -11.0 0.6 56 55 A Y + 0 0 39 -2,-0.8 2,-0.9 -6,-0.1 5,-0.5 0.290 38.5 118.7 -97.0 9.9 23.5 -9.8 -0.5 57 56 A G 0 0 25 3,-0.2 -1,-0.0 4,-0.1 -2,-0.0 -0.681 360.0 360.0 -90.7 104.4 25.1 -6.9 -2.1 58 57 A T 0 0 127 -2,-0.9 4,-0.0 0, 0.0 -3,-0.0 0.257 360.0 360.0 51.6 360.0 24.7 -6.6 -5.8 59 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 60 61 A G 0 0 27 0, 0.0 -3,-0.2 0, 0.0 -30,-0.2 0.000 360.0 360.0 360.0-158.5 24.3 -3.3 -4.7 61 62 A Y - 0 0 28 -5,-0.5 -31,-2.1 1,-0.1 2,-0.8 0.896 360.0-154.7 90.3 86.5 21.5 -3.9 -2.3 62 63 A T B >> -A 29 0A 36 -6,-0.5 3,-2.2 -33,-0.2 4,-2.2 -0.821 16.9-137.0 -94.7 109.9 18.1 -4.5 -3.8 63 64 A V H >> S+ 0 0 0 -35,-0.9 4,-3.4 -2,-0.8 3,-0.5 0.819 103.2 43.6 -31.5 -58.8 15.5 -3.5 -1.3 64 65 A P H 3> S+ 0 0 42 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.803 113.6 51.1 -64.8 -26.1 13.3 -6.6 -2.0 65 66 A V H <> S+ 0 0 50 -3,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.779 115.3 42.4 -79.9 -24.2 16.3 -8.8 -2.0 66 67 A L H S+ 0 0 51 -4,-1.9 5,-2.3 -5,-0.3 6,-0.8 0.737 111.9 52.9 -66.9 -18.0 13.4 -11.8 7.3 72 73 A H H ><5S+ 0 0 112 -4,-1.1 3,-0.7 4,-0.2 -1,-0.2 0.891 109.2 48.2 -80.2 -41.4 14.9 -15.1 6.5 73 74 A I H 3<5S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.876 113.1 47.8 -64.3 -37.6 17.8 -14.5 8.8 74 75 A L T 3<5S- 0 0 0 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.502 114.8-115.0 -82.9 -5.2 15.4 -13.4 11.6 75 76 A G T X 5S+ 0 0 0 -3,-0.7 3,-0.6 -4,-0.3 -3,-0.2 0.729 79.2 127.8 79.8 20.6 13.2 -16.4 11.2 76 77 A L T 3 < + 0 0 15 -5,-2.3 -4,-0.2 1,-0.2 -5,-0.1 0.393 50.7 89.1 -86.5 2.5 10.2 -14.4 10.1 77 78 A N T 3 S+ 0 0 88 -6,-0.8 2,-0.2 -5,-0.2 -1,-0.2 0.308 87.7 51.2 -84.3 17.3 10.0 -16.7 7.1 78 79 A R S < S- 0 0 102 -3,-0.6 2,-0.8 25,-0.1 0, 0.0 -0.789 91.9 -99.0-140.9 175.8 7.8 -19.1 9.0 79 80 A K - 0 0 93 -2,-0.2 25,-0.2 25,-0.1 2,-0.2 -0.842 36.4-159.0-109.6 99.6 4.6 -18.9 11.1 80 81 A W E -b 104 0B 3 23,-3.4 25,-3.6 -2,-0.8 2,-0.5 -0.490 13.0-131.7 -75.0 142.9 5.3 -18.8 14.8 81 82 A G E -b 105 0B 0 23,-0.2 61,-2.3 -2,-0.2 60,-1.4 -0.836 28.1-173.8 -97.5 127.6 2.6 -19.9 17.2 82 83 A L E -bc 106 142B 0 23,-4.2 25,-3.6 -2,-0.5 26,-0.7 -0.786 11.3-175.9-117.9 162.9 2.0 -17.5 20.2 83 84 A C E -bc 108 143B 0 59,-1.1 61,-3.0 -2,-0.3 2,-0.5 -0.954 20.2-132.2-147.8 159.0 -0.1 -17.6 23.3 84 85 A I E -bc 109 144B 0 24,-1.6 26,-3.4 -2,-0.3 2,-0.6 -0.980 10.7-163.5-121.3 129.1 -0.7 -15.0 25.9 85 86 A V E S+bc 110 145B 2 59,-2.2 61,-2.6 -2,-0.5 62,-0.2 -0.957 73.5 37.0-109.5 120.7 -0.6 -15.9 29.6 86 87 A G - 0 0 5 24,-2.4 -1,-0.2 -2,-0.6 25,-0.2 0.703 64.3-160.1 101.4 91.9 -2.2 -13.2 31.7 87 88 A X + 0 0 1 23,-0.2 -1,-0.1 4,-0.2 24,-0.1 -0.168 48.4 119.5-100.0 43.7 -5.3 -11.7 30.1 88 89 A G S > S- 0 0 27 58,-0.2 4,-3.1 -2,-0.2 5,-0.3 0.116 89.4 -54.7 -83.3-156.1 -5.5 -8.4 32.0 89 90 A D H > S+ 0 0 97 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 142.6 38.6 -51.1 -51.3 -5.4 -5.0 30.3 90 91 A L H > S+ 0 0 55 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.948 115.4 52.0 -67.6 -47.3 -2.1 -5.7 28.6 91 92 A G H > S+ 0 0 1 55,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.909 114.8 44.1 -53.8 -42.8 -2.9 -9.3 27.8 92 93 A S H X S+ 0 0 28 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.935 111.9 51.4 -68.6 -49.4 -6.2 -8.1 26.2 93 94 A A H >< S+ 0 0 9 -4,-2.9 3,-0.9 -5,-0.3 4,-0.5 0.954 113.0 46.6 -52.7 -51.4 -4.5 -5.2 24.4 94 95 A L H >< S+ 0 0 7 -4,-3.3 3,-1.5 1,-0.2 -1,-0.2 0.904 105.4 60.1 -57.9 -42.3 -2.0 -7.6 22.9 95 96 A A H 3< S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.800 112.1 39.6 -57.6 -29.2 -4.7 -10.1 22.0 96 97 A D T << S+ 0 0 65 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.365 81.0 130.4-104.7 6.3 -6.3 -7.5 19.8 97 98 A Y < - 0 0 71 -3,-1.5 3,-0.4 -4,-0.5 2,-0.4 -0.405 45.7-156.0 -58.6 124.8 -3.1 -6.0 18.4 98 99 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.306 73.3 68.8-101.4 52.4 -3.6 -5.9 14.6 99 100 A G + 0 0 34 -2,-0.4 -2,-0.1 2,-0.1 0, 0.0 0.223 51.9 107.8-153.3 22.9 0.1 -5.9 13.5 100 101 A F - 0 0 28 -3,-0.4 3,-0.3 1,-0.1 2,-0.1 0.934 67.2-153.5 -68.9 -43.9 1.7 -9.2 14.2 101 102 A G > - 0 0 54 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 -0.406 38.7 -53.3 97.1-177.8 1.8 -10.0 10.6 102 103 A E T 3 S+ 0 0 154 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.688 127.0 67.8 -71.8 -16.1 1.8 -13.4 8.9 103 104 A S T 3 S+ 0 0 7 -3,-0.3 -23,-3.4 1,-0.2 2,-0.5 0.669 98.4 49.6 -80.4 -15.7 4.9 -14.6 10.9 104 105 A F E < -b 80 0B 12 -3,-0.9 2,-0.5 -25,-0.2 -23,-0.2 -0.955 64.0-175.6-130.2 119.5 3.2 -14.7 14.4 105 106 A E E -b 81 0B 78 -25,-3.6 -23,-4.2 -2,-0.5 2,-0.6 -0.934 21.8-135.9-118.4 130.7 -0.1 -16.4 15.1 106 107 A L E +b 82 0B 29 -2,-0.5 -23,-0.2 -25,-0.2 3,-0.1 -0.713 32.2 161.8 -82.7 118.8 -2.0 -16.3 18.4 107 108 A R E + 0 0 68 -25,-3.6 2,-0.3 -2,-0.6 -24,-0.2 0.332 59.6 28.8-119.4 8.9 -3.2 -19.9 19.2 108 109 A G E -b 83 0B 2 -26,-0.7 -24,-1.6 16,-0.1 2,-0.4 -0.991 46.4-168.1-168.5 151.2 -3.9 -19.5 22.9 109 110 A F E -bd 84 126B 1 16,-0.5 18,-3.0 -2,-0.3 2,-0.3 -0.947 23.5-175.5-145.7 119.4 -4.9 -17.2 25.7 110 111 A F E +bd 85 127B 0 -26,-3.4 -24,-2.4 -2,-0.4 2,-0.3 -0.834 14.5 139.5-123.7 159.2 -4.6 -18.4 29.3 111 112 A D E - 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