==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 26-OCT-09 3KEQ . COMPND 2 MOLECULE: REDOX-SENSING TRANSCRIPTIONAL REPRESSOR REX; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP III . AUTHOR S.THIYAGARAJAN,D.LOGAN,C.VON WACHENFELDT . 400 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.2 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 . 2 0.5 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-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 . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 0 4 1 1 0 2 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 6 A S 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.1 -10.0 -12.5 -29.7 2 7 A I - 0 0 43 1,-0.1 2,-0.1 2,-0.0 45,-0.0 -0.638 360.0-121.8 -90.3 138.0 -7.1 -10.3 -28.4 3 8 A P >> - 0 0 50 0, 0.0 4,-2.2 0, 0.0 3,-0.8 -0.493 29.3-110.6 -72.2 152.1 -4.6 -8.7 -30.8 4 9 A K H 3> S+ 0 0 103 1,-0.2 4,-1.7 2,-0.2 -2,-0.0 0.885 116.2 50.8 -50.6 -46.4 -0.9 -9.6 -30.2 5 10 A A H 3> S+ 0 0 53 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.779 110.1 47.9 -70.8 -28.2 -0.1 -6.0 -28.9 6 11 A T H X> S+ 0 0 8 -3,-0.8 3,-0.7 2,-0.2 4,-0.6 0.853 110.0 55.3 -73.0 -36.0 -2.9 -5.8 -26.4 7 12 A A H >< S+ 0 0 3 -4,-2.2 3,-0.7 1,-0.3 4,-0.4 0.827 97.8 60.9 -67.0 -32.9 -1.9 -9.3 -25.2 8 13 A K H 3< S+ 0 0 96 -4,-1.7 -1,-0.3 1,-0.2 3,-0.2 0.840 106.2 49.1 -61.3 -27.4 1.6 -8.2 -24.5 9 14 A R H XX S+ 0 0 59 -3,-0.7 4,-1.7 -4,-0.5 3,-1.1 0.619 83.2 94.3 -91.0 -11.2 0.2 -5.7 -22.0 10 15 A L H XX S+ 0 0 1 -3,-0.7 4,-1.8 -4,-0.6 3,-0.5 0.877 84.7 47.0 -46.8 -56.3 -2.0 -8.0 -20.1 11 16 A S H 3> S+ 0 0 2 -4,-0.4 4,-1.1 1,-0.3 -1,-0.3 0.715 108.8 57.8 -67.4 -19.8 0.4 -9.0 -17.3 12 17 A L H <> S+ 0 0 49 -3,-1.1 4,-1.1 -4,-0.2 -1,-0.3 0.862 105.2 49.5 -73.8 -37.3 1.2 -5.3 -16.8 13 18 A Y H S+ 0 0 17 -4,-2.3 5,-2.6 1,-0.2 4,-0.7 0.936 109.4 54.9 -63.4 -42.6 -4.8 -0.6 -6.5 21 26 A N H <5S+ 0 0 65 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.608 107.9 48.4 -71.5 -13.1 -6.5 -3.4 -4.6 22 27 A T H <5S+ 0 0 119 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.855 109.2 51.5 -86.9 -43.6 -4.0 -3.3 -1.8 23 28 A D H <5S- 0 0 84 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.616 119.9-116.4 -63.3 -11.4 -4.3 0.6 -1.5 24 29 A G T <5 + 0 0 50 -4,-0.7 -3,-0.2 1,-0.2 2,-0.2 0.606 56.7 163.1 86.1 15.3 -8.0 -0.2 -1.3 25 30 A I < - 0 0 69 -5,-2.6 -1,-0.2 -6,-0.2 32,-0.1 -0.480 23.6-166.2 -76.9 134.4 -8.9 1.7 -4.5 26 31 A E + 0 0 128 1,-0.2 31,-2.0 -2,-0.2 32,-0.4 0.794 66.0 10.9 -91.0 -33.9 -12.4 0.8 -6.0 27 32 A K B -A 56 0A 138 29,-0.2 2,-0.3 30,-0.1 -1,-0.2 -0.977 63.3-157.2-150.3 154.8 -12.3 2.2 -9.5 28 33 A A - 0 0 10 27,-1.5 2,-0.3 -2,-0.3 3,-0.0 -0.937 14.4-120.2-141.6 157.6 -9.7 3.7 -11.9 29 34 A S > - 0 0 55 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.717 23.5-125.1-102.8 143.3 -9.4 5.9 -14.9 30 35 A S H > S+ 0 0 16 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.927 122.3 57.0 -41.1 -40.7 -8.1 5.3 -18.4 31 36 A K H > S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.981 105.6 43.5 -52.1 -70.6 -6.2 8.4 -17.1 32 37 A Q H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.870 116.0 49.1 -47.1 -45.7 -4.7 6.7 -14.0 33 38 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.930 109.8 48.5 -65.0 -46.3 -3.8 3.6 -15.9 34 39 A A H X>S+ 0 0 4 -4,-2.4 5,-1.7 -5,-0.3 4,-1.4 0.920 112.3 50.4 -63.2 -47.2 -2.1 5.2 -18.8 35 40 A D H ><5S+ 0 0 123 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.972 107.7 54.0 -43.7 -64.0 -0.0 7.4 -16.4 36 41 A A H 3<5S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.886 120.2 31.4 -43.4 -51.5 1.0 4.3 -14.4 37 42 A L H 3<5S- 0 0 28 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.515 103.0-123.4 -90.5 -5.9 2.3 2.5 -17.6 38 43 A G T <<5S+ 0 0 32 -4,-1.4 2,-0.3 -3,-1.2 -3,-0.2 0.975 70.1 122.8 56.3 52.2 3.5 5.5 -19.6 39 44 A I S - 0 0 124 -2,-0.3 4,-1.2 1,-0.2 -3,-0.0 -0.269 33.8-132.0 -55.5 136.8 -1.3 6.8 -24.4 41 46 A S H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.876 110.6 55.3 -54.1 -36.2 -4.5 7.0 -22.3 42 47 A A H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.967 97.1 59.2 -59.7 -58.0 -6.2 6.2 -25.7 43 48 A T H > S+ 0 0 40 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.777 105.6 51.8 -47.0 -34.8 -4.2 3.0 -26.2 44 49 A V H X S+ 0 0 0 -4,-1.2 4,-3.1 -3,-0.2 5,-0.3 0.972 106.1 53.3 -59.1 -59.7 -5.7 1.7 -22.8 45 50 A R H X S+ 0 0 137 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.874 112.3 44.9 -44.4 -47.3 -9.3 2.6 -24.0 46 51 A R H X S+ 0 0 189 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.847 111.6 51.6 -73.6 -34.7 -8.8 0.5 -27.1 47 52 A D H >< S+ 0 0 5 -4,-1.8 3,-1.5 -5,-0.3 -2,-0.2 0.932 108.7 53.3 -56.2 -45.9 -7.1 -2.4 -25.2 48 53 A F H >< S+ 0 0 8 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.675 91.0 73.1 -75.0 -17.6 -10.1 -2.4 -22.9 49 54 A S H >< S+ 0 0 88 -4,-0.9 3,-1.1 -5,-0.3 -1,-0.3 0.848 93.6 57.3 -53.6 -36.4 -12.6 -2.7 -25.7 50 55 A Y T << S+ 0 0 96 -3,-1.5 -1,-0.2 -4,-0.6 -2,-0.2 0.270 92.6 69.8 -83.1 11.0 -11.4 -6.3 -26.0 51 56 A F T < S- 0 0 7 -3,-1.5 2,-1.9 -49,-0.0 -1,-0.2 0.209 93.8-136.4-113.9 11.2 -12.3 -7.0 -22.4 52 57 A G < 0 0 75 -3,-1.1 -3,-0.1 1,-0.2 -2,-0.1 0.032 360.0 360.0 72.5 -34.6 -16.1 -6.9 -22.9 53 58 A E 0 0 146 -2,-1.9 -1,-0.2 -5,-0.2 -4,-0.1 0.518 360.0 360.0 -20.2 360.0 -16.9 -4.8 -19.8 54 ! 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 55 66 A Y 0 0 74 0, 0.0 -27,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 106.8 -13.5 0.4 -14.3 56 67 A D B > -A 27 0A 84 -29,-0.2 4,-2.1 1,-0.1 -29,-0.2 -0.536 360.0-153.9 -71.8 132.4 -13.9 -1.7 -11.1 57 68 A V H > S+ 0 0 0 -31,-2.0 4,-2.6 -2,-0.3 5,-0.2 0.882 89.8 48.7 -76.9 -45.9 -10.6 -2.8 -9.7 58 69 A K H > S+ 0 0 144 -32,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.927 115.5 47.0 -61.9 -42.8 -11.5 -6.0 -7.9 59 70 A K H >> S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.965 116.4 41.4 -61.6 -55.1 -13.4 -7.2 -11.0 60 71 A L H 3X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.3 5,-0.3 0.855 109.1 59.0 -67.6 -34.8 -10.7 -6.5 -13.5 61 72 A M H 3X S+ 0 0 35 -4,-2.6 4,-1.2 1,-0.2 -1,-0.3 0.792 109.8 46.5 -61.8 -27.6 -8.0 -7.7 -11.1 62 73 A N H S- 0 0 28 -2,-0.8 4,-3.6 62,-0.6 5,-0.4 0.071 86.0 -47.2 -92.5-147.5 26.1 -19.4 -14.2 81 94 A N H > S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 211,-0.2 0.943 141.3 32.7 -51.7 -60.0 25.8 -16.0 -12.6 82 95 A I H >> S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 3,-0.8 0.982 119.8 52.3 -62.9 -57.9 22.4 -15.2 -13.8 83 96 A G H 3> S+ 0 0 0 59,-0.3 4,-1.2 -5,-0.3 -2,-0.2 0.839 108.5 48.3 -45.0 -48.9 21.1 -18.8 -13.7 84 97 A R H 3< S+ 0 0 98 -4,-3.6 4,-0.4 1,-0.2 -1,-0.3 0.818 109.9 55.4 -68.9 -28.6 22.2 -19.5 -10.1 85 98 A A H X< S+ 0 0 5 -4,-1.4 3,-1.4 -3,-0.8 204,-0.2 0.943 108.4 47.4 -61.6 -46.2 20.5 -16.2 -9.2 86 99 A L H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.3 -2,-0.2 0.689 98.1 69.0 -74.3 -18.3 17.2 -17.3 -10.7 87 100 A L T 3< S+ 0 0 7 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.647 106.9 40.4 -71.0 -16.8 17.4 -20.7 -9.0 88 101 A H T < S+ 0 0 85 -3,-1.4 2,-0.4 -4,-0.4 -1,-0.2 0.324 94.4 112.6-107.4 5.0 16.8 -18.9 -5.7 89 102 A Y < - 0 0 38 -3,-0.9 2,-0.4 -4,-0.2 -3,-0.0 -0.658 59.5-142.5 -89.1 130.8 14.2 -16.5 -7.2 90 103 A R - 0 0 216 -2,-0.4 301,-0.1 1,-0.1 8,-0.1 -0.769 14.0-173.3 -88.8 136.0 10.6 -16.7 -6.1 91 104 A F + 0 0 14 6,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.720 60.9 23.4-101.1 -27.6 8.1 -16.1 -9.0 92 105 A H - 0 0 39 5,-0.3 3,-0.3 1,-0.2 -1,-0.1 -0.897 59.9-130.2-139.6 162.3 4.7 -16.0 -7.2 93 106 A D S S+ 0 0 134 1,-0.4 2,-1.2 -2,-0.3 -1,-0.2 0.909 118.0 25.5 -70.4 -88.5 3.0 -15.4 -3.8 94 107 A R S S- 0 0 231 1,-0.1 2,-1.5 2,-0.0 -1,-0.4 -0.678 117.8-116.8 -69.2 100.1 0.9 -18.6 -3.9 95 108 A N + 0 0 80 -2,-1.2 -1,-0.1 -3,-0.3 -2,-0.0 -0.191 56.4 156.9 -61.7 81.0 3.6 -20.1 -6.1 96 109 A K + 0 0 49 -2,-1.5 -24,-1.6 1,-0.1 2,-0.4 0.749 68.5 55.3 -68.0 -24.0 1.8 -20.9 -9.5 97 110 A M E +b 72 0B 4 -26,-0.1 -6,-0.5 -3,-0.1 2,-0.3 -0.953 67.2 162.6-118.6 128.6 5.2 -20.7 -11.2 98 111 A Q E -b 73 0B 95 -26,-1.9 -24,-3.4 -2,-0.4 2,-0.7 -0.994 40.2-128.5-143.3 147.2 8.3 -22.8 -10.3 99 112 A I E +b 74 0B 13 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.879 29.6 177.8 -82.9 115.0 11.7 -24.0 -11.7 100 113 A S E + 0 0 35 -26,-2.2 2,-0.3 -2,-0.7 -25,-0.2 0.740 62.4 6.6 -90.0 -28.7 11.5 -27.8 -11.1 101 114 A M E -b 75 0B 18 -27,-0.9 -25,-1.9 18,-0.2 2,-0.3 -0.986 61.9-153.0-151.5 159.1 14.9 -28.8 -12.7 102 115 A A E -bd 76 121B 0 18,-2.4 20,-3.5 -2,-0.3 2,-0.3 -0.932 5.1-155.6-136.5 159.4 18.0 -27.2 -14.1 103 116 A F E +bd 77 122B 0 -27,-2.1 -25,-3.1 -2,-0.3 2,-0.3 -0.969 16.4 159.9-134.7 145.2 20.7 -28.1 -16.7 104 117 A D E - d 0 123B 23 18,-2.0 20,-2.6 -2,-0.3 39,-0.0 -0.864 58.3 -52.2-144.5-179.8 24.3 -27.1 -17.4 105 118 A L > - 0 0 110 -2,-0.3 3,-2.1 18,-0.2 6,-0.2 -0.342 54.3-119.3 -49.6 143.7 27.1 -28.7 -19.3 106 119 A D T 3 S+ 0 0 73 1,-0.3 -1,-0.1 4,-0.1 17,-0.1 0.740 113.9 56.6 -60.8 -25.5 27.7 -32.3 -18.1 107 120 A S T 3 S+ 0 0 107 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.520 82.5 114.2 -82.8 -9.4 31.2 -31.4 -17.1 108 121 A N S X S- 0 0 53 -3,-2.1 3,-1.8 1,-0.1 -4,-0.1 -0.413 72.7-127.3 -68.6 138.9 30.0 -28.6 -14.8 109 122 A D T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.771 106.4 61.1 -53.1 -27.8 30.6 -29.0 -11.0 110 123 A L T > S+ 0 0 46 2,-0.1 3,-1.3 -31,-0.1 -1,-0.3 0.697 79.5 104.6 -80.6 -15.1 26.9 -28.3 -10.3 111 124 A V T < S+ 0 0 33 -3,-1.8 11,-0.2 -6,-0.2 3,-0.1 -0.433 80.5 27.0 -71.3 142.7 25.6 -31.3 -12.3 112 125 A G T 3 S+ 0 0 67 9,-2.6 -1,-0.2 1,-0.4 2,-0.2 0.458 104.5 105.7 82.0 3.7 24.4 -34.2 -10.2 113 126 A K < - 0 0 99 -3,-1.3 8,-2.1 8,-0.3 2,-0.4 -0.640 62.5-136.6-110.9 166.6 23.6 -31.9 -7.3 114 127 A T B -G 120 0C 92 6,-0.2 4,-0.1 -2,-0.2 -13,-0.0 -0.988 25.1-117.7-123.3 136.6 20.3 -30.6 -5.9 115 128 A T > - 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