==== 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 REGULATORY PROTEIN 01-DEC-87 1WRP . COMPND 2 MOLECULE: TRP REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.W.SCHEWITZ,Z.OTWINOWSKI,C.L.LAWSON,A.J.JOACHIMIAK,P.B.SIGL . 103 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 77.7 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 . 0 0.0 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 0 2 0 1 0 1 0 0 0 0 0 0 1 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 R Q 0 0 162 0, 0.0 4,-0.1 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 -60.2 38.0 4.0 31.8 2 5 R S - 0 0 27 1,-0.1 8,-0.1 2,-0.1 7,-0.0 -0.338 360.0-120.4 -65.1 142.1 34.3 4.8 31.4 3 6 R P S S+ 0 0 141 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.300 112.3 39.5 -64.4 3.1 33.0 8.2 32.6 4 7 R Y S S- 0 0 168 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.754 82.6-158.2-158.0 96.5 30.8 6.1 34.9 5 8 R S + 0 0 76 -2,-0.3 3,-0.0 1,-0.1 2,-0.0 -0.848 38.6 132.0 -87.4 116.2 32.6 3.1 36.4 6 9 R A - 0 0 49 -2,-0.7 -1,-0.1 0, 0.0 0, 0.0 0.328 69.6-103.1-122.8 -89.0 30.1 0.5 37.5 7 10 R A S > S+ 0 0 61 -2,-0.0 4,-1.3 0, 0.0 5,-0.1 0.086 115.1 50.4-176.3 -41.8 30.9 -3.0 36.3 8 11 R M H > S+ 0 0 138 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.938 114.9 44.3 -75.8 -46.8 28.4 -3.4 33.5 9 12 R A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.925 114.5 48.1 -60.2 -57.1 29.4 -0.1 31.9 10 13 R E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 111.1 53.7 -49.3 -44.9 33.2 -0.7 32.3 11 14 R Q H X S+ 0 0 41 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.942 109.0 45.7 -59.8 -55.5 32.7 -4.2 30.9 12 15 R R H X S+ 0 0 157 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.870 113.7 53.2 -52.6 -41.1 31.0 -2.9 27.7 13 16 R H H X S+ 0 0 50 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.853 108.3 47.5 -63.2 -43.1 33.8 -0.3 27.6 14 17 R Q H X S+ 0 0 77 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.794 106.5 58.2 -67.8 -37.4 36.5 -2.9 27.8 15 18 R E H X S+ 0 0 134 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.825 106.2 49.7 -63.5 -33.9 34.9 -5.1 25.1 16 19 R W H X S+ 0 0 150 -4,-1.2 4,-1.7 2,-0.2 3,-0.4 0.904 109.7 50.5 -70.3 -40.2 35.1 -2.1 22.7 17 20 R L H X S+ 0 0 56 -4,-1.5 4,-2.4 1,-0.3 -2,-0.2 0.812 104.6 57.9 -67.2 -35.5 38.8 -1.7 23.6 18 21 R R H X S+ 0 0 204 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.828 106.8 49.4 -63.4 -32.0 39.3 -5.3 22.9 19 22 R F H X S+ 0 0 51 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.864 108.8 51.4 -71.2 -45.5 38.0 -4.7 19.4 20 23 R V H X S+ 0 0 62 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 45.8 -58.8 -50.8 40.3 -1.7 18.9 21 24 R D H X S+ 0 0 110 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 109.5 54.7 -60.6 -44.4 43.3 -3.7 19.9 22 25 R L H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.900 111.9 44.9 -52.6 -53.0 42.2 -6.7 17.7 23 26 R L H X S+ 0 0 29 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.883 107.3 56.9 -59.8 -45.8 42.1 -4.3 14.7 24 27 R K H X S+ 0 0 125 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 111.6 45.2 -49.8 -47.0 45.4 -2.6 15.6 25 28 R N H X S+ 0 0 86 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.901 107.7 56.4 -63.1 -50.6 46.9 -6.1 15.4 26 29 R A H ><>S+ 0 0 9 -4,-2.3 5,-3.4 2,-0.2 3,-0.7 0.893 107.8 49.5 -48.7 -48.4 45.1 -7.0 12.2 27 30 R Y H ><5S+ 0 0 123 -4,-2.7 3,-2.2 1,-0.3 -2,-0.2 0.943 107.1 54.1 -57.8 -49.5 46.6 -3.9 10.6 28 31 R Q H 3<5S+ 0 0 145 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.709 114.9 41.9 -57.4 -23.4 50.1 -4.9 11.8 29 32 R N T <<5S- 0 0 92 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.281 113.0-114.6-107.3 2.2 49.5 -8.3 10.1 30 33 R D T < 5S+ 0 0 134 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.870 88.1 114.7 65.2 34.9 47.9 -7.0 6.9 31 34 R L >< + 0 0 103 -5,-3.4 4,-1.5 -8,-0.2 -4,-0.2 0.026 35.5 106.9-119.4 16.6 44.7 -8.7 7.9 32 35 R H H > S+ 0 0 46 -6,-0.5 4,-2.5 -5,-0.2 5,-0.2 0.901 73.6 53.5 -63.2 -48.2 42.7 -5.5 8.3 33 36 R L H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.950 112.4 41.0 -55.9 -61.4 40.5 -5.9 5.2 34 37 R P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.824 114.5 54.8 -56.5 -35.5 39.2 -9.4 5.9 35 38 R L H X S+ 0 0 25 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.927 110.0 44.0 -62.2 -52.2 38.7 -8.5 9.6 36 39 R L H X S+ 0 0 38 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.792 112.1 54.5 -61.0 -37.2 36.6 -5.5 8.9 37 40 R N H < S+ 0 0 76 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.861 111.7 45.2 -62.8 -46.2 34.7 -7.5 6.3 38 41 R L H < S+ 0 0 134 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.870 116.9 43.6 -61.4 -49.4 34.0 -10.1 9.0 39 42 R M H < S+ 0 0 90 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.606 110.7 57.0 -76.3 -20.4 33.0 -7.6 11.7 40 43 R L S < S- 0 0 41 -4,-1.4 0, 0.0 -5,-0.1 0, 0.0 -0.887 73.9-124.8-120.7 148.6 30.8 -5.3 9.7 41 44 R T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.509 34.0-109.3 -81.6 157.1 27.7 -5.6 7.5 42 45 R P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.817 121.1 49.5 -50.1 -45.8 27.6 -4.4 3.9 43 46 R D H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.772 109.3 51.2 -66.0 -38.6 25.3 -1.6 4.9 44 47 R E H > S+ 0 0 88 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.841 110.6 49.1 -67.5 -39.8 27.6 -0.6 7.8 45 48 R R H >X S+ 0 0 91 -4,-2.4 4,-2.6 2,-0.2 3,-0.5 0.980 111.7 48.9 -63.9 -51.9 30.6 -0.5 5.5 46 49 R E H 3X S+ 0 0 139 -4,-2.4 4,-1.4 1,-0.3 -2,-0.2 0.852 110.7 51.5 -51.2 -45.5 28.7 1.6 3.0 47 50 R A H 3X S+ 0 0 32 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.831 108.2 51.0 -64.6 -35.9 27.7 3.9 5.8 48 51 R L H S+ 0 0 13 -4,-2.5 4,-1.6 2,-0.2 5,-0.5 0.726 109.4 58.3 -76.0 -21.9 32.5 18.2 3.1 58 61 R L H <5S+ 0 0 42 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.927 110.4 43.9 -72.4 -41.4 31.8 19.6 6.6 59 62 R L H <5S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.866 110.3 56.4 -68.4 -41.6 35.5 20.5 7.0 60 63 R R H <5S- 0 0 112 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.848 90.8-153.1 -61.4 -43.1 35.7 21.9 3.5 61 64 R G T <5 + 0 0 61 -4,-1.6 -3,-0.1 2,-0.1 -2,-0.1 0.619 64.3 99.0 76.0 24.4 32.9 24.3 4.2 62 65 R E < + 0 0 144 -5,-0.5 2,-0.2 2,-0.1 -4,-0.1 0.816 57.7 83.6-102.9 -47.9 31.7 24.7 0.6 63 66 R M S S- 0 0 35 -6,-0.5 2,-0.1 1,-0.1 -2,-0.1 -0.450 70.5-139.6 -67.8 137.3 28.6 22.4 0.4 64 67 R S > - 0 0 47 -2,-0.2 4,-2.7 1,-0.0 5,-0.2 -0.405 27.8 -96.7 -92.3 168.1 25.4 23.8 1.7 65 68 R Q H > S+ 0 0 153 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.862 125.6 45.1 -44.0 -57.1 22.6 22.2 3.7 66 69 R R H > S+ 0 0 171 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 112.8 53.9 -64.0 -34.9 20.5 21.3 0.7 67 70 R E H >>S+ 0 0 71 2,-0.2 4,-2.3 -3,-0.2 5,-0.6 0.929 107.9 47.3 -64.3 -49.6 23.6 20.1 -1.1 68 71 R L H X5S+ 0 0 8 -4,-2.7 6,-1.9 3,-0.2 4,-1.6 0.871 116.5 45.1 -56.5 -47.5 24.7 17.7 1.7 69 72 R K H X5S+ 0 0 93 -4,-1.8 4,-0.8 4,-0.3 -2,-0.2 0.911 119.9 37.6 -65.9 -49.4 21.2 16.3 2.0 70 73 R N H <5S+ 0 0 104 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.685 128.2 32.4 -77.9 -29.7 20.4 15.8 -1.7 71 74 R E H <5S+ 0 0 128 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.797 135.7 21.9 -99.7 -34.7 23.9 14.7 -2.8 72 75 R L H <> - 0 0 26 -2,-0.8 4,-2.2 -6,-0.2 3,-0.6 -0.429 55.2 -73.3 -95.6 168.8 19.4 16.0 6.5 76 79 R I H 3> S+ 0 0 151 1,-0.2 4,-0.5 2,-0.2 -2,-0.0 0.653 131.0 50.5 -29.1 -41.4 19.3 18.2 9.6 77 80 R A H 3> S+ 0 0 69 2,-0.2 4,-3.1 3,-0.2 3,-0.3 0.965 113.6 40.3 -66.8 -61.7 19.7 15.1 11.9 78 81 R T H <> S+ 0 0 46 -3,-0.6 4,-2.7 1,-0.3 -2,-0.2 0.856 116.8 49.6 -54.7 -45.7 22.7 13.5 10.2 79 82 R I H X S+ 0 0 32 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.686 111.2 52.3 -68.8 -22.1 24.4 16.8 9.7 80 83 R T H X S+ 0 0 62 -4,-0.5 4,-2.3 -5,-0.5 5,-0.4 0.945 110.8 46.0 -76.6 -46.9 23.7 17.4 13.3 81 84 R R H X S+ 0 0 138 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.855 115.3 46.5 -57.4 -50.1 25.3 14.1 14.3 82 85 R G H X S+ 0 0 1 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.889 114.0 49.7 -61.0 -42.9 28.3 14.7 12.1 83 86 R S H >X S+ 0 0 41 -4,-1.4 4,-2.0 2,-0.2 3,-0.6 0.945 113.1 39.8 -64.4 -59.7 28.7 18.3 13.3 84 87 R N H 3X S+ 0 0 93 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.770 113.0 59.4 -64.3 -29.1 28.6 17.9 17.1 85 88 R S H 3< S+ 0 0 40 -4,-1.2 4,-0.3 -5,-0.4 -1,-0.3 0.781 106.0 48.2 -66.2 -33.4 30.7 14.7 16.6 86 89 R L H X< S+ 0 0 26 -4,-1.0 3,-0.9 -3,-0.6 -2,-0.2 0.894 110.3 50.4 -74.3 -40.4 33.3 16.9 15.0 87 90 R K H 3< S+ 0 0 145 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.844 107.8 55.3 -65.9 -32.4 33.2 19.4 17.9 88 91 R A T 3< S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.549 86.4 98.2 -77.0 -19.5 33.6 16.6 20.3 89 92 R A S < S- 0 0 16 -3,-0.9 2,-0.1 -4,-0.3 -3,-0.0 -0.537 87.4-104.2 -72.9 142.1 36.8 15.3 18.7 90 93 R P >> - 0 0 68 0, 0.0 3,-1.4 0, 0.0 4,-1.4 -0.392 35.6-109.2 -63.0 152.0 40.0 16.5 20.4 91 94 R V H 3> S+ 0 0 81 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.573 114.7 66.2 -58.5 -24.2 41.7 19.2 18.4 92 95 R E H 3> S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.771 102.9 45.9 -70.0 -36.6 44.5 16.9 17.3 93 96 R L H <> S+ 0 0 70 -3,-1.4 4,-3.1 2,-0.2 5,-0.2 0.884 112.4 51.1 -70.2 -45.1 42.1 14.8 15.3 94 97 R R H X S+ 0 0 89 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.919 112.8 46.3 -58.6 -42.1 40.5 17.9 13.8 95 98 R Q H X S+ 0 0 142 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.954 113.6 48.9 -64.0 -50.5 44.0 19.2 12.9 96 99 R W H X S+ 0 0 132 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.826 107.1 53.4 -56.8 -47.1 45.0 15.8 11.4 97 100 R L H X>S+ 0 0 28 -4,-3.1 4,-3.8 1,-0.2 5,-1.1 0.869 105.8 56.5 -57.2 -39.3 41.8 15.4 9.3 98 101 R E H <5S+ 0 0 84 -4,-1.5 4,-0.3 -3,-0.4 -1,-0.2 0.902 111.8 40.5 -54.4 -55.8 42.6 18.8 7.8 99 102 R E H <5S+ 0 0 149 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.954 126.7 35.7 -58.3 -50.5 46.0 17.7 6.6 100 103 R V H <5S+ 0 0 82 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.839 124.9 31.3 -78.1 -50.0 44.8 14.3 5.5 101 104 R L T <5 0 0 51 -4,-3.8 -3,-0.2 1,-0.2 -2,-0.1 0.929 360.0 360.0 -75.9 -52.7 41.2 14.6 4.1 102 105 R L < 0 0 81 -5,-1.1 -1,-0.2 -4,-0.3 -2,-0.0 -0.565 360.0 360.0 -81.6 360.0 41.8 18.1 2.8 103 ! 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 0.0 104 1 R W 0 0 104 0, 0.0 -22,-0.1 0, 0.0 -26,-0.1 0.000 360.0 360.0 360.0 360.0 28.7 9.9 15.3