==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-13 4IPA . COMPND 2 MOLECULE: PUTATIVE CURVED DNA-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CHAETOMIUM THERMOPHILUM VAR. THERMOPHI . AUTHOR G.BANGE,I.SINNING . 1492 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1009 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 290 19.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 94 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 416 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 1 0 1 1 4 2 0 0 0 4 8 0 1 3 0 0 1 3 0 1 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 23 8 12 4 4 0 4 0 4 4 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 8 0 0 0 0 0 0 1 3 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 12 A A 0 0 118 0, 0.0 2,-0.3 0, 0.0 332,-0.1 0.000 360.0 360.0 360.0 142.6 -50.3 71.1 -34.1 2 13 A I - 0 0 17 330,-0.1 636,-0.1 228,-0.1 228,-0.1 -0.638 360.0-119.3 -79.5 132.2 -48.7 72.3 -30.9 3 14 A S > - 0 0 51 -2,-0.3 4,-2.8 1,-0.1 5,-0.3 -0.228 16.8-115.5 -70.0 158.6 -49.7 75.9 -30.0 4 15 A V H > S+ 0 0 4 632,-0.2 4,-2.7 1,-0.2 636,-0.3 0.922 117.0 56.1 -55.5 -42.5 -47.2 78.7 -29.7 5 16 A D H > S+ 0 0 34 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.932 113.1 37.3 -58.7 -49.0 -48.1 78.9 -26.0 6 17 A V H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 116.8 50.5 -70.5 -47.3 -47.3 75.3 -25.3 7 18 A L H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.924 111.2 50.9 -55.9 -43.9 -44.3 75.0 -27.5 8 19 A T H X S+ 0 0 5 -4,-2.7 4,-2.1 630,-0.3 -1,-0.2 0.805 108.5 50.8 -66.9 -32.7 -42.9 78.2 -25.9 9 20 A K H X S+ 0 0 22 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.911 111.1 47.9 -72.6 -43.9 -43.3 76.9 -22.4 10 21 A Y H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.935 113.0 50.7 -54.4 -46.7 -41.5 73.7 -23.3 11 22 A K H X S+ 0 0 39 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.866 107.3 51.1 -64.3 -37.3 -38.8 75.9 -24.9 12 23 A T H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.922 111.9 48.8 -63.8 -43.1 -38.5 78.0 -21.7 13 24 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 90,-0.3 0.897 110.3 51.5 -59.3 -43.6 -38.1 74.8 -19.8 14 25 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.904 107.1 51.4 -62.6 -45.5 -35.5 73.5 -22.2 15 26 A Q H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.912 113.1 46.5 -61.5 -40.6 -33.3 76.7 -22.1 16 27 A I H X S+ 0 0 8 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.947 113.8 47.7 -64.5 -46.6 -33.3 76.4 -18.3 17 28 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.910 112.6 48.4 -63.4 -41.8 -32.5 72.7 -18.3 18 29 A E H X S+ 0 0 72 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.877 112.1 49.2 -67.6 -35.9 -29.7 73.1 -20.8 19 30 A K H X S+ 0 0 114 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.908 113.9 44.9 -69.1 -41.9 -28.2 76.0 -18.9 20 31 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.876 110.9 55.6 -67.6 -35.2 -28.3 74.1 -15.6 21 32 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.873 108.2 47.8 -63.4 -37.7 -26.9 71.0 -17.4 22 33 A A H X S+ 0 0 53 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.925 113.3 46.6 -71.8 -42.8 -23.9 73.1 -18.6 23 34 A E H X S+ 0 0 79 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.868 114.2 48.5 -65.0 -38.7 -23.3 74.5 -15.1 24 35 A V H >X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 3,-0.7 0.887 106.2 56.6 -69.0 -38.5 -23.6 71.1 -13.5 25 36 A S H >< S+ 0 0 27 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.865 102.4 56.4 -62.1 -36.2 -21.3 69.5 -16.0 26 37 A K H 3< S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.795 103.5 54.7 -65.2 -28.2 -18.5 71.9 -15.1 27 38 A L H << S+ 0 0 69 -4,-0.8 2,-2.2 -3,-0.7 -1,-0.2 0.664 83.1 93.7 -77.3 -15.5 -18.8 70.9 -11.5 28 39 A C << + 0 0 2 -3,-0.9 91,-0.7 -4,-0.7 -1,-0.2 -0.334 54.6 138.9 -82.9 62.1 -18.2 67.2 -12.4 29 40 A V > - 0 0 49 -2,-2.2 3,-2.1 89,-0.2 62,-0.3 -0.675 65.6 -80.0 -99.4 155.9 -14.5 67.1 -11.9 30 41 A P T 3 S+ 0 0 31 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.301 118.4 25.7 -53.6 134.4 -12.5 64.2 -10.2 31 42 A G T 3 S+ 0 0 37 60,-2.5 2,-0.1 1,-0.3 61,-0.1 0.117 87.4 131.1 97.6 -20.2 -12.8 64.5 -6.4 32 43 A A < - 0 0 22 -3,-2.1 59,-2.9 59,-0.1 2,-0.5 -0.432 61.3-118.9 -67.9 140.9 -16.1 66.4 -6.4 33 44 A K B >> -A 90 0A 73 57,-0.2 4,-1.7 1,-0.1 3,-0.9 -0.710 12.8-140.7 -81.4 124.6 -18.7 65.0 -4.0 34 45 A I H 3> S+ 0 0 0 55,-2.2 4,-2.5 -2,-0.5 5,-0.2 0.859 100.2 56.9 -51.2 -42.6 -21.9 63.9 -5.8 35 46 A I H 3> S+ 0 0 1 54,-0.4 4,-1.9 52,-0.3 -1,-0.2 0.841 105.7 51.4 -64.3 -31.3 -24.2 65.2 -3.1 36 47 A D H <> S+ 0 0 69 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.905 109.9 49.0 -68.7 -42.9 -22.7 68.7 -3.5 37 48 A I H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.932 112.0 47.6 -62.1 -48.7 -23.2 68.7 -7.2 38 49 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 28,-0.3 0.911 113.7 48.0 -59.3 -45.2 -26.9 67.6 -7.0 39 50 A E H X S+ 0 0 63 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.932 114.1 46.3 -62.4 -44.4 -27.6 70.2 -4.3 40 51 A Q H X S+ 0 0 69 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.888 111.8 51.2 -65.7 -38.9 -25.9 72.9 -6.4 41 52 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.928 110.8 48.6 -62.2 -44.3 -27.7 71.9 -9.5 42 53 A D H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.875 111.0 50.8 -64.7 -39.1 -31.0 72.0 -7.7 43 54 A K H X S+ 0 0 113 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.931 109.6 49.8 -62.9 -49.6 -30.2 75.4 -6.3 44 55 A L H X S+ 0 0 22 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.856 107.7 55.2 -53.5 -40.9 -29.3 76.7 -9.7 45 56 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.899 107.6 48.0 -63.4 -44.1 -32.6 75.4 -11.1 46 57 A E H X S+ 0 0 89 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.936 111.5 49.9 -65.0 -43.5 -34.6 77.2 -8.6 47 58 A E H X S+ 0 0 76 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.953 113.3 46.5 -55.9 -51.3 -32.7 80.5 -9.2 48 59 A E H >< S+ 0 0 26 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.913 112.6 51.4 -57.7 -42.9 -33.2 80.1 -13.0 49 60 A L H >< S+ 0 0 10 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.886 104.7 54.8 -63.3 -40.8 -36.9 79.2 -12.4 50 61 A S H 3< S+ 0 0 71 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.651 100.0 64.4 -70.3 -12.1 -37.5 82.3 -10.2 51 62 A K T << S+ 0 0 111 -3,-1.0 -1,-0.3 -4,-0.8 2,-0.3 0.449 101.3 54.4 -89.8 -0.5 -36.2 84.4 -13.1 52 63 A V S < S+ 0 0 19 -3,-1.6 -40,-0.0 1,-0.2 0, 0.0 -0.827 103.7 14.6-129.8 169.6 -39.0 83.5 -15.5 53 64 A Y S S+ 0 0 38 -2,-0.3 5,-0.2 1,-0.1 -1,-0.2 0.840 72.0 147.5 29.6 58.5 -42.8 83.6 -15.5 54 65 A R + 0 0 168 -3,-0.2 4,-0.1 3,-0.1 -1,-0.1 0.891 43.7 86.4 -82.9 -47.5 -42.8 85.9 -12.5 55 66 A D S S- 0 0 91 2,-0.1 3,-0.5 0, 0.0 -3,-0.0 -0.295 96.9 -6.2 -50.8 130.8 -45.9 87.7 -13.5 56 67 A K S S- 0 0 152 1,-0.2 2,-0.1 2,-0.0 0, 0.0 -0.042 101.1 -60.2 77.4-176.0 -49.0 85.8 -12.3 57 68 A K + 0 0 203 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 -0.308 68.7 162.9-101.5 44.8 -49.4 82.5 -10.5 58 69 A T - 0 0 35 -3,-0.5 48,-0.1 -5,-0.2 -2,-0.0 -0.575 37.8-126.8 -71.5 112.6 -47.9 80.5 -13.3 59 70 A N + 0 0 112 -2,-0.6 47,-2.6 46,-0.1 2,-0.3 -0.224 44.4 149.5 -54.5 146.2 -47.0 77.0 -12.0 60 71 A K E +B 105 0B 62 45,-0.2 2,-0.3 46,-0.2 45,-0.2 -0.951 1.6 118.8-172.6 161.9 -43.4 75.9 -12.6 61 72 A G E -B 104 0B 8 43,-2.4 43,-2.2 -2,-0.3 2,-0.2 -0.978 60.2 -18.7 166.6-159.3 -40.7 73.8 -11.0 62 73 A F E -B 103 0B 4 -2,-0.3 41,-0.3 41,-0.2 221,-0.1 -0.555 29.5-173.0 -73.0 139.5 -38.5 70.7 -11.6 63 74 A S E S+ 0 0 0 39,-2.0 40,-0.2 1,-0.4 -1,-0.1 0.513 86.7 4.9 -94.7 -14.7 -39.4 68.2 -14.2 64 75 A H E S-B 102 0B 8 38,-1.8 38,-1.9 219,-0.1 -1,-0.4 -0.855 81.2-113.0-169.3 128.9 -36.4 66.1 -12.8 65 76 A P E - 0 0 0 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.187 47.0 -92.0 -58.7 153.1 -34.0 66.5 -9.8 66 77 A T E - 0 0 0 -28,-0.3 2,-0.4 35,-0.1 35,-0.2 -0.556 54.7-177.6 -64.2 123.8 -30.4 67.1 -10.6 67 78 A T E -B 100 0B 0 33,-1.5 33,-1.2 -2,-0.4 2,-0.4 -0.974 20.2-167.3-131.1 149.6 -28.8 63.7 -10.7 68 79 A V E -B 99 0B 0 9,-2.1 31,-0.2 -2,-0.4 -30,-0.1 -0.930 13.8-167.9-140.0 106.2 -25.2 62.6 -11.2 69 80 A S E -B 98 0B 0 29,-2.5 29,-2.2 -2,-0.4 -2,-0.0 -0.869 11.9-136.0-112.9 121.9 -24.6 58.9 -11.9 70 81 A P > - 0 0 14 0, 0.0 3,-1.6 0, 0.0 28,-0.2 0.067 46.7 -68.7 -63.0-177.2 -21.2 57.1 -11.8 71 82 A A T 3 S+ 0 0 13 1,-0.3 252,-2.9 251,-0.1 250,-0.1 0.765 127.9 26.5 -48.7 -55.4 -20.0 54.5 -14.4 72 83 A A T 3 S+ 0 0 14 250,-0.3 245,-2.3 248,-0.1 2,-0.4 0.338 93.4 115.4 -96.3 9.0 -22.3 51.5 -13.9 73 84 A F B < +L 316 0C 32 -3,-1.6 243,-0.3 243,-0.2 250,-0.1 -0.640 30.5 169.4 -82.4 130.6 -25.3 53.4 -12.4 74 85 A I + 0 0 21 241,-2.3 242,-0.2 -2,-0.4 -1,-0.2 0.843 60.2 72.1-101.5 -59.0 -28.5 53.3 -14.5 75 86 A T S S- 0 0 18 240,-1.6 239,-0.1 1,-0.1 2,-0.0 -0.376 104.9 -96.9 -52.7 129.6 -31.1 54.8 -12.2 76 87 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 178,-0.2 -0.363 46.1-131.7 -55.6 129.8 -30.4 58.5 -12.0 77 88 A Y + 0 0 11 21,-0.2 -9,-2.1 -4,-0.1 23,-0.1 -0.703 44.4 147.7 -96.5 131.7 -28.4 59.0 -8.8 78 89 A T - 0 0 1 -2,-0.4 210,-0.4 -11,-0.2 209,-0.2 -0.460 29.4-164.8-160.1 78.5 -29.3 61.6 -6.1 79 90 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 173,-0.0 -0.024 22.8 -96.5 -76.9 166.4 -28.4 60.4 -2.6 80 91 A L > - 0 0 0 1,-0.1 3,-0.5 171,-0.1 7,-0.3 -0.524 18.5-137.7 -76.3 145.5 -29.3 61.6 0.9 81 92 A R T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.2 6,-0.1 0.854 105.7 56.6 -66.9 -33.5 -27.0 63.9 2.9 82 93 A S T 3 S+ 0 0 59 1,-0.1 2,-1.2 4,-0.1 -1,-0.2 0.514 83.0 86.1 -80.5 -9.0 -27.7 61.8 6.0 83 94 A D S <> S- 0 0 26 -3,-0.5 4,-2.9 1,-0.2 5,-0.2 -0.803 72.4-165.1 -85.1 92.4 -26.6 58.6 4.3 84 95 A E T 4 S+ 0 0 172 -2,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.847 77.4 44.6 -55.5 -46.3 -23.0 59.3 5.3 85 96 A K T >4 S+ 0 0 178 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.946 117.2 44.0 -65.9 -48.8 -21.3 56.8 3.0 86 97 A E G >4 S+ 0 0 23 1,-0.2 3,-1.9 2,-0.2 -51,-0.2 0.927 109.6 56.7 -60.9 -44.0 -23.3 57.6 -0.1 87 98 A A G 3< S+ 0 0 7 -4,-2.9 -52,-0.3 -7,-0.3 -1,-0.2 0.564 103.8 55.2 -69.6 -6.2 -23.1 61.3 0.5 88 99 A A G < S+ 0 0 56 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.431 77.1 126.0-103.8 -3.8 -19.3 61.1 0.5 89 100 A T < - 0 0 38 -3,-1.9 -55,-2.2 -4,-0.3 -54,-0.4 -0.322 46.3-157.4 -52.8 132.2 -19.1 59.4 -2.9 90 101 A E B -A 33 0A 90 -57,-0.3 -57,-0.2 -56,-0.1 2,-0.1 -0.873 24.2 -94.3-119.1 151.3 -16.8 61.4 -5.3 91 102 A I - 0 0 3 -59,-2.9 -60,-2.5 -62,-0.3 -59,-0.1 -0.403 40.9-141.2 -56.9 126.8 -16.5 61.7 -9.0 92 103 A Q > - 0 0 90 -62,-0.2 3,-1.6 -2,-0.1 26,-0.3 -0.814 25.3-101.9 -95.6 135.1 -13.9 59.2 -10.2 93 104 A P T 3 S+ 0 0 90 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 -0.197 100.2 9.7 -58.9 139.9 -11.5 60.3 -13.0 94 105 A G T 3 S+ 0 0 35 24,-2.7 25,-0.1 1,-0.2 -2,-0.0 0.352 94.0 134.7 76.7 -6.9 -12.2 59.1 -16.6 95 106 A E < - 0 0 57 -3,-1.6 23,-2.5 22,-0.1 2,-0.7 -0.460 63.6-113.2 -77.2 148.3 -15.6 57.6 -15.6 96 107 A P E - C 0 117B 3 0, 0.0 2,-0.5 0, 0.0 227,-0.3 -0.733 37.2-163.5 -79.7 113.3 -18.7 58.2 -17.8 97 108 A I E - C 0 116B 0 19,-3.0 19,-2.3 -2,-0.7 2,-0.6 -0.872 9.3-145.7-105.4 126.7 -21.0 60.3 -15.6 98 109 A K E -BC 69 115B 0 -29,-2.2 -29,-2.5 -2,-0.5 2,-0.6 -0.824 12.5-169.0 -93.7 122.5 -24.7 60.7 -16.5 99 110 A I E +BC 68 114B 0 15,-2.9 15,-2.0 -2,-0.6 2,-0.4 -0.953 13.0 169.6-114.5 112.5 -26.2 64.0 -15.7 100 111 A Q E +BC 67 113B 11 -33,-1.2 -33,-1.5 -2,-0.6 2,-0.3 -0.991 13.2 130.1-127.8 128.4 -29.9 64.1 -16.0 101 112 A L E - 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