==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 13-AUG-07 2QXY . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.PALANI,D.KUMARAN,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 236 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 17.8 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 0 3 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 3 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 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 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 3 A L 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 6.3 -4.7 -4.9 2 4 A T - 0 0 89 25,-0.1 25,-0.2 26,-0.0 24,-0.1 -0.922 360.0-147.5-116.9 102.7 6.6 -1.3 -3.3 3 5 A P - 0 0 8 0, 0.0 25,-3.3 0, 0.0 2,-0.5 -0.363 10.7-126.9 -70.2 147.6 3.3 -0.4 -1.5 4 6 A T E -a 28 0A 14 23,-0.2 45,-1.8 42,-0.1 44,-1.2 -0.839 22.3-168.2 -97.5 130.1 2.1 3.2 -1.2 5 7 A V E -ab 29 49A 0 23,-3.2 25,-2.7 -2,-0.5 2,-0.5 -0.974 2.9-162.3-119.5 120.1 1.4 4.5 2.3 6 8 A X E -ab 30 50A 0 43,-2.6 45,-2.8 -2,-0.5 2,-0.6 -0.885 4.6-154.9-105.8 130.0 -0.5 7.8 2.7 7 9 A V E -ab 31 51A 0 23,-2.7 25,-2.8 -2,-0.5 2,-0.8 -0.911 3.1-164.8-104.1 118.7 -0.4 9.6 6.0 8 10 A V E +ab 32 52A 9 43,-3.0 45,-1.6 -2,-0.6 2,-0.3 -0.897 42.8 120.4-104.3 102.8 -3.4 11.9 6.4 9 11 A D - 0 0 5 23,-1.8 25,-0.1 -2,-0.8 6,-0.1 -0.949 64.3-135.8-163.8 139.4 -2.3 14.2 9.3 10 12 A E S S+ 0 0 94 -2,-0.3 2,-0.5 4,-0.0 23,-0.1 0.782 85.7 91.9 -70.6 -24.0 -1.8 17.9 9.8 11 13 A S > - 0 0 35 1,-0.2 4,-1.6 -3,-0.1 5,-0.1 -0.595 56.1-169.0 -78.3 117.4 1.5 17.1 11.6 12 14 A R H > S+ 0 0 125 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.819 89.5 62.4 -71.7 -29.2 4.5 17.0 9.3 13 15 A I H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 104.0 47.7 -61.4 -42.4 6.5 15.5 12.2 14 16 A T H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 111.1 51.0 -64.8 -43.3 4.1 12.5 12.1 15 17 A F H X S+ 0 0 19 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.930 111.2 47.9 -58.9 -46.3 4.5 12.2 8.3 16 18 A L H X S+ 0 0 62 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.881 109.1 53.7 -62.4 -39.6 8.3 12.3 8.6 17 19 A A H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.945 110.8 45.8 -61.5 -48.1 8.3 9.6 11.3 18 20 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-0.3 0.913 113.0 51.1 -61.0 -42.6 6.2 7.3 9.2 19 21 A K H X S+ 0 0 79 -4,-2.4 4,-3.1 1,-0.2 3,-0.3 0.942 110.4 48.1 -60.6 -48.0 8.5 8.0 6.2 20 22 A N H < S+ 0 0 93 -4,-3.0 4,-0.4 1,-0.2 -1,-0.2 0.868 112.5 50.0 -61.3 -36.7 11.6 7.3 8.2 21 23 A A H < S+ 0 0 10 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.785 125.6 23.5 -74.2 -26.8 10.2 4.0 9.5 22 24 A L H ><>S+ 0 0 0 -4,-1.7 3,-1.7 -3,-0.3 5,-0.7 0.769 98.8 80.5-111.5 -32.8 9.1 2.7 6.1 23 25 A E G >X5S+ 0 0 77 -4,-3.1 3,-1.6 -5,-0.3 4,-0.8 0.896 96.1 45.9 -43.1 -60.9 11.1 4.2 3.3 24 26 A K G 345S+ 0 0 194 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.624 106.5 62.6 -63.4 -12.1 14.2 2.1 3.5 25 27 A D G <45S- 0 0 73 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.172 127.5 -86.6-100.6 19.7 12.0 -1.1 3.8 26 28 A G T <45S+ 0 0 35 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.881 83.5 131.0 83.8 40.4 10.5 -0.7 0.4 27 29 A F << - 0 0 20 -4,-0.8 2,-0.8 -5,-0.7 -1,-0.3 -0.971 50.4-140.8-126.4 140.6 7.5 1.5 1.0 28 30 A N E -a 4 0A 71 -25,-3.3 -23,-3.2 -2,-0.4 2,-0.5 -0.892 26.5-164.3 -99.8 108.9 6.4 4.6 -0.9 29 31 A V E -a 5 0A 12 -2,-0.8 2,-0.3 -25,-0.2 -23,-0.2 -0.841 9.3-179.1-103.2 126.7 5.2 7.1 1.7 30 32 A I E -a 6 0A 23 -25,-2.7 -23,-2.7 -2,-0.5 2,-0.4 -0.882 17.5-132.4-122.9 154.9 3.1 10.2 0.7 31 33 A W E +a 7 0A 67 -2,-0.3 2,-0.5 -25,-0.2 -23,-0.2 -0.899 19.0 176.5-114.8 131.8 1.6 13.1 2.8 32 34 A A E -a 8 0A 0 -25,-2.8 -23,-1.8 -2,-0.4 6,-0.0 -0.990 14.5-161.0-127.3 117.1 -1.9 14.6 2.8 33 35 A K S S+ 0 0 90 -2,-0.5 2,-0.3 -25,-0.2 -1,-0.1 0.692 72.6 5.0 -73.9 -16.8 -2.4 17.3 5.5 34 36 A N S > S- 0 0 42 -25,-0.1 4,-2.2 -24,-0.1 5,-0.1 -0.928 84.7 -86.1-154.7 177.9 -6.2 17.0 5.3 35 37 A E H > S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.873 119.8 54.6 -57.5 -44.4 -9.2 15.1 3.9 36 38 A Q H > S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.940 111.5 44.1 -57.3 -50.2 -9.4 17.2 0.7 37 39 A E H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 109.9 58.0 -63.5 -38.0 -5.7 16.4 -0.2 38 40 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.1 43.3 -59.4 -45.6 -6.3 12.8 0.7 39 41 A F H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.810 106.2 60.5 -73.4 -27.3 -9.1 12.3 -1.8 40 42 A T H < S+ 0 0 56 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.912 111.5 42.7 -64.2 -37.2 -7.2 14.3 -4.5 41 43 A F H >X S+ 0 0 62 -4,-1.8 4,-2.9 1,-0.2 3,-1.6 0.925 111.3 53.4 -70.8 -46.2 -4.5 11.6 -4.2 42 44 A L H 3< S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.790 106.0 54.2 -60.5 -28.9 -7.0 8.7 -4.0 43 45 A R T 3< S+ 0 0 158 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.599 118.4 35.6 -81.4 -8.9 -8.7 9.8 -7.2 44 46 A R T <4 S+ 0 0 190 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.740 121.0 24.4-114.6 -33.7 -5.3 9.7 -8.9 45 47 A E S < S- 0 0 69 -4,-2.9 -1,-0.3 -5,-0.1 2,-0.2 -0.993 77.2-107.5-139.0 147.1 -3.3 6.8 -7.6 46 48 A K - 0 0 187 -2,-0.3 2,-0.5 -3,-0.1 -42,-0.1 -0.496 33.8-156.7 -69.4 134.2 -4.0 3.5 -5.9 47 49 A I - 0 0 6 -2,-0.2 28,-0.1 1,-0.1 3,-0.1 -0.969 12.6-164.7-117.8 127.8 -3.1 3.6 -2.2 48 50 A D S S+ 0 0 61 -44,-1.2 27,-2.1 -2,-0.5 2,-0.3 0.874 77.1 9.2 -76.8 -39.3 -2.3 0.3 -0.3 49 51 A L E -bc 5 75A 0 -45,-1.8 -43,-2.6 25,-0.2 2,-0.4 -0.995 61.0-164.1-147.5 136.2 -2.6 1.8 3.2 50 52 A V E -bc 6 76A 0 25,-2.4 27,-2.4 -2,-0.3 2,-0.5 -0.978 9.9-151.3-122.5 133.2 -3.8 5.1 4.6 51 53 A F E -bc 7 77A 0 -45,-2.8 -43,-3.0 -2,-0.4 2,-0.5 -0.901 16.5-165.1-100.6 127.0 -3.0 6.3 8.2 52 54 A V E -bc 8 78A 1 25,-2.4 27,-2.0 -2,-0.5 2,-0.5 -0.969 17.5-136.3-118.9 127.2 -5.8 8.6 9.5 53 55 A D E - c 0 79A 16 -45,-1.6 3,-0.4 -2,-0.5 27,-0.2 -0.704 13.8-152.1 -78.5 122.8 -5.3 10.8 12.6 54 56 A V > + 0 0 8 25,-1.4 3,-1.4 -2,-0.5 6,-0.2 0.092 58.1 119.3 -87.5 25.1 -8.6 10.4 14.5 55 57 A F T 3 + 0 0 108 1,-0.3 -1,-0.2 24,-0.2 3,-0.1 0.896 65.6 58.4 -56.9 -47.2 -8.3 13.8 16.1 56 58 A E T > S- 0 0 105 -3,-0.4 3,-1.6 1,-0.2 -1,-0.3 0.274 95.7-146.6 -72.8 15.4 -11.6 15.3 14.7 57 59 A G T X> S+ 0 0 29 -3,-1.4 4,-1.7 1,-0.3 3,-0.8 -0.366 75.9 14.2 63.7-123.6 -13.6 12.5 16.3 58 60 A E H 3> S+ 0 0 114 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.773 125.0 61.4 -58.2 -28.0 -16.7 11.4 14.4 59 61 A E H <> S+ 0 0 72 -3,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.908 104.2 49.2 -66.2 -38.2 -15.3 13.3 11.3 60 62 A S H <> S+ 0 0 1 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.896 112.2 47.1 -66.1 -40.1 -12.3 11.0 11.4 61 63 A L H X S+ 0 0 17 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.890 109.9 53.9 -66.5 -38.9 -14.5 7.9 11.6 62 64 A N H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.896 108.9 50.0 -60.9 -41.0 -16.6 9.3 8.8 63 65 A L H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.913 107.5 52.4 -64.7 -46.0 -13.4 9.6 6.7 64 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 112.0 46.8 -57.1 -45.4 -12.4 6.0 7.5 65 67 A R H X S+ 0 0 98 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.885 111.1 51.1 -65.6 -38.8 -15.8 4.8 6.3 66 68 A R H X S+ 0 0 77 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.918 111.0 48.1 -65.6 -42.3 -15.8 7.0 3.2 67 69 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 7,-0.2 0.943 113.3 48.7 -62.0 -45.8 -12.3 5.7 2.2 68 70 A R H < S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.857 114.9 43.3 -63.5 -38.3 -13.4 2.1 2.8 69 71 A E H < S+ 0 0 140 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.923 122.2 37.4 -75.8 -42.5 -16.6 2.4 0.8 70 72 A E H < S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.782 132.2 26.8 -79.6 -27.8 -15.1 4.3 -2.2 71 73 A F >< + 0 0 49 -4,-2.8 3,-2.6 -5,-0.3 -1,-0.2 -0.551 68.5 170.6-136.1 68.1 -11.8 2.5 -2.2 72 74 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.655 77.0 58.9 -52.9 -23.3 -12.5 -1.0 -0.7 73 75 A D T 3 S+ 0 0 150 2,-0.1 2,-0.5 -26,-0.0 -5,-0.1 0.461 88.2 94.0 -87.7 -1.2 -9.0 -2.3 -1.7 74 76 A T < - 0 0 9 -3,-2.6 2,-0.3 -7,-0.2 -25,-0.2 -0.811 69.7-144.1 -94.9 126.2 -7.4 0.4 0.4 75 77 A K E -c 49 0A 60 -27,-2.1 -25,-2.4 -2,-0.5 2,-0.4 -0.636 13.0-155.4 -87.5 146.6 -6.6 -0.6 4.0 76 78 A V E +c 50 0A 0 19,-0.5 21,-3.0 -2,-0.3 22,-0.4 -0.981 13.1 178.5-127.0 137.4 -6.9 2.0 6.8 77 79 A A E -c 51 0A 0 -27,-2.4 -25,-2.4 -2,-0.4 2,-0.3 -0.953 24.8-122.4-132.3 150.9 -5.2 2.2 10.1 78 80 A V E -cd 52 99A 0 20,-2.7 22,-3.2 -2,-0.3 2,-0.4 -0.740 14.6-165.5-100.7 145.9 -5.5 4.9 12.8 79 81 A L E +cd 53 100A 0 -27,-2.0 -25,-1.4 -2,-0.3 2,-0.3 -0.997 23.5 167.2-123.7 126.6 -2.8 7.1 14.3 80 82 A S E - d 0 101A 2 20,-1.9 22,-2.8 -2,-0.4 -27,-0.0 -0.992 45.3-141.4-145.9 153.2 -3.8 8.9 17.6 81 83 A A S S+ 0 0 51 -2,-0.3 2,-0.4 20,-0.2 -1,-0.1 0.606 94.8 51.0 -83.9 -14.3 -2.3 10.8 20.4 82 84 A Y - 0 0 165 2,-0.0 2,-0.5 -3,-0.0 -1,-0.1 -0.963 69.7-149.3-128.6 143.6 -4.8 9.0 22.8 83 85 A V + 0 0 86 -2,-0.4 2,-0.3 18,-0.0 3,-0.1 -0.933 27.0 163.1-109.3 131.2 -5.6 5.4 23.3 84 86 A D > - 0 0 75 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.977 41.8-130.8-150.3 135.1 -9.2 4.7 24.4 85 87 A K H > S+ 0 0 43 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.915 110.2 43.6 -51.8 -50.4 -11.2 1.4 24.4 86 88 A D H > S+ 0 0 49 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.885 111.2 53.6 -65.8 -39.2 -14.2 3.0 22.7 87 89 A L H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 111.5 47.8 -61.8 -39.1 -12.1 5.0 20.2 88 90 A I H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.968 112.6 47.4 -64.4 -53.2 -10.5 1.7 19.2 89 91 A I H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.932 114.6 45.4 -53.0 -53.5 -13.8 -0.2 18.9 90 92 A N H X S+ 0 0 67 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.837 110.7 54.2 -63.3 -33.7 -15.4 2.5 16.8 91 93 A S H X>S+ 0 0 1 -4,-1.9 5,-2.4 -5,-0.3 4,-0.7 0.947 112.4 42.9 -64.9 -48.4 -12.3 2.9 14.6 92 94 A V H ><5S+ 0 0 13 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.898 111.5 54.6 -65.0 -40.2 -12.3 -0.8 13.8 93 95 A K H 3<5S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 106.1 53.8 -59.9 -35.0 -16.1 -0.8 13.3 94 96 A A H 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.681 134.9 -87.7 -73.3 -19.0 -15.6 2.0 10.8 95 97 A G T <<5S+ 0 0 19 -3,-1.0 -19,-0.5 -4,-0.7 -3,-0.2 0.428 78.1 141.6 128.4 -1.0 -13.1 -0.1 8.9 96 98 A A < - 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