==== 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 02-OCT-95 1VCC . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR A.SHARMA,R.HANAI,A.MONDRAGON . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 55.8 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 . 22 28.6 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 9.1 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+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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 1 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 1 A M 0 0 128 0, 0.0 2,-0.2 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 139.6 19.3 49.0 59.3 2 2 A R - 0 0 124 45,-0.4 45,-2.7 1,-0.1 2,-0.7 -0.395 360.0-133.9 -65.7 131.7 17.3 50.1 62.3 3 3 A A E -A 46 0A 40 43,-0.2 2,-0.3 -2,-0.2 43,-0.2 -0.749 24.3-169.5 -88.6 114.6 19.0 52.5 64.7 4 4 A L E -A 45 0A 0 41,-2.6 41,-2.5 -2,-0.7 2,-0.4 -0.754 17.6-127.9-104.0 150.2 18.6 51.5 68.3 5 5 A F E -AB 44 12A 51 7,-3.1 7,-2.6 -2,-0.3 2,-0.4 -0.824 22.8-146.3-100.8 135.7 19.5 53.6 71.3 6 6 A Y E + B 0 11A 57 37,-1.8 37,-0.4 -2,-0.4 2,-0.3 -0.874 25.1 158.3-110.1 135.7 21.7 52.2 74.0 7 7 A K E > S- B 0 10A 111 3,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.884 70.6 -24.6-157.1 116.4 21.8 52.7 77.8 8 8 A D T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.883 124.5 -46.8 51.4 48.5 23.3 50.6 80.6 9 9 A G T 3 S+ 0 0 31 1,-0.2 -1,-0.3 22,-0.0 2,-0.3 0.302 118.2 103.9 82.2 -8.6 23.0 47.3 78.6 10 10 A K E < -B 7 0A 86 -3,-2.0 -3,-2.3 10,-0.0 2,-0.4 -0.710 59.6-138.1-108.3 159.4 19.5 47.9 77.4 11 11 A L E -B 6 0A 0 -2,-0.3 10,-2.3 -5,-0.2 2,-0.3 -0.900 18.0-178.1-119.7 145.7 18.2 48.9 74.0 12 12 A F E -BC 5 20A 27 -7,-2.6 -7,-3.1 -2,-0.4 10,-0.0 -0.938 32.3-134.9-138.6 156.0 15.4 51.3 73.1 13 13 A T S S+ 0 0 49 6,-2.4 2,-0.3 -2,-0.3 -10,-0.1 0.686 90.8 56.6 -85.7 -14.4 13.7 52.6 69.9 14 14 A D S > S- 0 0 24 5,-0.4 3,-1.7 -9,-0.1 5,-0.2 -0.850 82.9-123.7-119.1 155.6 13.9 56.2 71.1 15 15 A N T 3 S+ 0 0 100 -2,-0.3 27,-0.1 1,-0.3 -1,-0.1 0.609 109.2 59.9 -71.7 -9.0 16.7 58.5 72.1 16 16 A N T 3 S- 0 0 108 -11,-0.0 -1,-0.3 3,-0.0 -3,-0.0 0.445 106.1-125.1 -95.4 -3.2 15.1 59.2 75.5 17 17 A F S < S+ 0 0 74 -3,-1.7 -2,-0.1 2,-0.1 -10,-0.0 0.843 74.4 121.7 63.5 36.5 15.1 55.5 76.5 18 18 A L + 0 0 127 1,-0.2 -1,-0.1 -4,-0.0 -3,-0.1 0.538 63.0 57.2-102.8 -16.5 11.3 55.4 77.2 19 19 A N S S- 0 0 82 -5,-0.2 -6,-2.4 0, 0.0 -5,-0.4 -0.813 78.7-150.8-121.3 92.2 10.4 52.6 74.7 20 20 A P B -C 12 0A 94 0, 0.0 -8,-0.3 0, 0.0 2,-0.1 -0.248 16.3-122.7 -60.1 142.9 12.3 49.4 75.4 21 21 A V - 0 0 14 -10,-2.3 2,-0.1 1,-0.1 -10,-0.1 -0.328 46.6 -80.0 -77.7 162.3 13.0 47.1 72.5 22 22 A S > - 0 0 79 1,-0.1 3,-2.1 -2,-0.1 -1,-0.1 -0.514 39.0-119.2 -64.5 145.0 11.7 43.5 72.9 23 23 A D T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.702 113.3 57.3 -60.6 -18.5 14.0 41.3 75.0 24 24 A D T 3 S+ 0 0 134 4,-0.0 -1,-0.3 3,-0.0 5,-0.1 0.218 74.8 141.3 -94.4 14.0 14.5 38.9 72.1 25 25 A N X - 0 0 13 -3,-2.1 3,-1.6 1,-0.2 4,-0.4 -0.336 59.0-127.4 -55.2 136.0 15.8 41.7 69.9 26 26 A P T >> S+ 0 0 50 0, 0.0 3,-1.0 0, 0.0 4,-0.9 0.745 103.2 69.1 -56.7 -30.3 18.7 40.4 67.7 27 27 A A H 3> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.738 82.7 72.2 -64.0 -24.6 21.1 43.2 68.8 28 28 A Y H <> S+ 0 0 39 -3,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.886 96.4 52.4 -60.1 -31.4 21.2 41.7 72.4 29 29 A E H <> S+ 0 0 93 -3,-1.0 4,-1.0 -4,-0.4 3,-0.3 0.919 108.3 49.5 -67.6 -41.2 23.3 39.0 70.9 30 30 A V H >X S+ 0 0 0 -4,-0.9 4,-2.3 18,-0.4 3,-0.9 0.939 109.9 52.6 -59.2 -45.2 25.6 41.6 69.4 31 31 A L H 3< S+ 0 0 28 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.730 98.9 62.8 -66.6 -20.3 25.8 43.3 72.8 32 32 A Q H 3< S+ 0 0 154 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.854 116.8 30.6 -71.2 -33.8 26.8 40.1 74.5 33 33 A H H << S+ 0 0 90 -4,-1.0 2,-0.5 -3,-0.9 -2,-0.2 0.712 110.8 70.3 -94.4 -26.8 30.0 40.1 72.4 34 34 A V < - 0 0 26 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.1 -0.833 66.5-145.6-104.5 129.1 30.7 43.8 71.8 35 35 A K - 0 0 182 -2,-0.5 -3,-0.1 -3,-0.0 -2,-0.0 -0.775 10.4-146.4 -90.3 136.2 31.9 46.2 74.5 36 36 A I - 0 0 16 -2,-0.4 2,-0.1 -5,-0.1 7,-0.0 -0.899 26.2-115.9-103.0 116.0 30.6 49.8 74.3 37 37 A P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.307 19.1-137.7 -57.1 127.7 33.2 52.3 75.5 38 38 A T T 3 S+ 0 0 142 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.654 96.9 63.9 -63.2 -17.6 31.8 54.0 78.6 39 39 A H T 3 S+ 0 0 117 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.541 83.7 95.8 -85.4 -12.0 33.0 57.5 77.6 40 40 A L < - 0 0 14 -3,-1.7 2,-0.3 23,-0.1 23,-0.2 -0.519 54.6-168.0 -79.8 151.1 30.8 57.6 74.5 41 41 A T E + D 0 62A 75 21,-1.9 21,-3.0 1,-0.2 -2,-0.0 -0.827 65.6 36.6-126.2 170.4 27.4 59.3 74.6 42 42 A D E S- 0 0 111 -2,-0.3 2,-0.3 19,-0.2 -1,-0.2 0.895 79.6-171.7 54.3 42.3 24.5 59.1 72.0 43 43 A V E - 0 0 10 -37,-0.4 -37,-1.8 -3,-0.2 2,-0.4 -0.557 10.4-168.0 -75.4 127.7 25.3 55.5 71.3 44 44 A V E -AD 5 60A 14 16,-2.8 16,-2.2 -2,-0.3 2,-0.4 -0.968 1.1-169.3-117.3 129.2 23.4 54.0 68.4 45 45 A V E -AD 4 59A 0 -41,-2.5 -41,-2.6 -2,-0.4 2,-0.3 -0.977 23.2-123.3-122.1 129.4 23.5 50.2 67.9 46 46 A Y E -A 3 0A 48 12,-2.3 2,-0.9 -2,-0.4 -43,-0.2 -0.557 20.7-118.2 -78.2 135.9 22.2 48.7 64.7 47 47 A E + 0 0 62 -45,-2.7 -45,-0.4 -2,-0.3 2,-0.3 -0.628 69.1 111.9 -73.1 104.0 19.4 46.1 64.9 48 48 A Q - 0 0 2 -2,-0.9 -18,-0.4 -47,-0.1 -19,-0.1 -0.947 67.9 -89.7-163.2 167.1 21.0 43.0 63.4 49 49 A T > - 0 0 47 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.421 38.5-109.4 -82.2 163.4 22.2 39.5 64.5 50 50 A W H > S+ 0 0 33 -24,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.910 122.1 55.0 -58.2 -39.7 25.7 38.8 65.8 51 51 A E H 4 S+ 0 0 163 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.948 110.3 44.4 -58.8 -47.0 26.3 36.9 62.5 52 52 A E H >4 S+ 0 0 77 1,-0.2 3,-1.1 2,-0.1 -1,-0.2 0.900 109.3 58.0 -64.3 -38.6 25.3 40.0 60.5 53 53 A A H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.2 20,-0.5 0.841 85.6 79.4 -63.1 -32.4 27.4 42.3 62.8 54 54 A L T 3< S+ 0 0 50 -4,-1.8 21,-2.8 1,-0.3 22,-0.4 0.723 107.0 27.1 -47.1 -33.8 30.7 40.4 62.1 55 55 A T T < S+ 0 0 70 -3,-1.1 -1,-0.3 -4,-0.4 22,-0.2 0.200 117.7 64.8-116.8 15.3 31.2 42.1 58.7 56 56 A R S < S- 0 0 107 -3,-2.3 17,-2.8 -4,-0.2 2,-0.4 -0.599 92.7 -73.0-134.2 179.4 29.4 45.4 59.3 57 57 A L E - E 0 72A 44 15,-0.2 15,-0.3 -2,-0.2 3,-0.1 -0.696 44.8-178.7 -72.0 130.5 29.1 48.7 61.2 58 58 A I E - 0 0 7 13,-3.6 -12,-2.3 -2,-0.4 2,-0.3 0.852 53.5 -12.5-101.2 -49.9 27.9 47.7 64.7 59 59 A F E -DE 45 71A 5 12,-1.5 12,-2.6 -14,-0.2 -1,-0.4 -0.978 48.7-154.0-153.0 163.9 27.6 50.9 66.6 60 60 A V E +DE 44 70A 4 -16,-2.2 -16,-2.8 -2,-0.3 2,-0.3 -0.979 18.3 169.5-139.5 143.4 28.4 54.6 66.6 61 61 A G E - E 0 69A 0 8,-2.0 8,-3.1 -2,-0.3 2,-0.5 -0.961 32.9-107.2-148.1 171.5 28.8 57.0 69.5 62 62 A S E -DE 41 68A 11 -21,-3.0 -21,-1.9 -2,-0.3 6,-0.2 -0.877 28.3-144.9-107.2 124.9 30.0 60.5 70.3 63 63 A D > - 0 0 19 4,-2.9 3,-2.5 -2,-0.5 -23,-0.1 -0.220 42.3 -83.3 -73.9-179.6 33.2 61.1 72.1 64 64 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 -24,-0.0 0.621 130.6 57.7 -63.3 -12.2 33.8 64.0 74.6 65 65 A K T 3 S- 0 0 132 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.260 119.7-110.2 -97.9 7.4 34.5 66.4 71.7 66 66 A G S < S+ 0 0 56 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.572 73.7 140.6 74.3 6.5 31.1 65.6 70.2 67 67 A R - 0 0 150 1,-0.0 -4,-2.9 -5,-0.0 2,-0.3 -0.695 54.4-119.7 -83.6 136.4 32.8 63.7 67.3 68 68 A R E -E 62 0A 80 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.576 24.9-161.5 -77.5 132.2 31.1 60.5 66.0 69 69 A Q E -E 61 0A 72 -8,-3.1 -8,-2.0 -2,-0.3 2,-0.3 -0.969 7.3-148.3-119.8 123.8 33.2 57.3 66.3 70 70 A Y E -E 60 0A 125 -2,-0.5 2,-0.5 -10,-0.2 -10,-0.2 -0.792 6.9-159.8 -96.8 141.4 32.2 54.3 64.2 71 71 A F E -E 59 0A 67 -12,-2.6 -13,-3.6 -2,-0.3 -12,-1.5 -0.963 8.7-168.3-131.3 121.1 32.8 50.7 65.3 72 72 A Y E -E 57 0A 116 -2,-0.5 -15,-0.2 -15,-0.3 -18,-0.1 -0.593 27.0 -90.8-106.2 160.0 32.9 47.7 62.9 73 73 A G > - 0 0 8 -17,-2.8 3,-2.2 -20,-0.5 -19,-0.1 -0.226 39.0-105.1 -66.7 160.2 32.8 43.9 63.2 74 74 A K T 3 S+ 0 0 158 1,-0.3 -19,-0.1 3,-0.0 -1,-0.1 0.685 121.0 45.7 -55.2 -32.0 35.9 41.7 63.5 75 75 A M T 3 S+ 0 0 137 -21,-2.8 -1,-0.3 -22,-0.1 -20,-0.2 0.189 87.9 106.5 -99.7 9.6 35.5 40.5 59.9 76 76 A H < 0 0 73 -3,-2.2 -20,-0.1 -22,-0.4 -21,-0.1 -0.545 360.0 360.0 -78.4 159.3 34.9 43.9 58.5 77 77 A V 0 0 178 -22,-0.2 -1,-0.1 -2,-0.2 -21,-0.0 0.892 360.0 360.0 -61.6 360.0 37.9 45.3 56.5