==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-SEP-02 1MW9 . COMPND 2 MOLECULE: DNA TOPOISOMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.PERRY,A.MONDRAGON . 556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 382 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.3 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 21 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 0 2 1 2 0 2 3 2 1 0 2 0 0 1 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 4 0 2 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 2 X G 0 0 76 0, 0.0 80,-0.4 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 20.6 27.7 34.2 70.6 2 3 X K - 0 0 115 77,-0.2 79,-1.7 78,-0.1 80,-0.5 -0.020 360.0 -98.8 -59.4 174.2 27.7 35.3 67.0 3 4 X A E -ab 24 82A 13 20,-3.5 22,-3.1 77,-0.2 2,-0.5 -0.776 27.6-134.3-100.6 145.9 29.2 33.1 64.2 4 5 X L E -ab 25 83A 2 78,-2.4 80,-3.6 -2,-0.3 2,-0.5 -0.880 17.7-168.0-102.4 128.5 32.6 33.7 62.8 5 6 X V E -ab 26 84A 0 20,-3.0 22,-2.8 -2,-0.5 2,-0.5 -0.975 5.6-161.2-117.5 125.6 33.0 33.6 59.0 6 7 X I E +ab 27 85A 0 78,-2.6 80,-2.4 -2,-0.5 2,-0.3 -0.926 13.0 171.7-113.9 129.8 36.6 33.5 57.6 7 8 X V E -a 28 0A 0 20,-1.8 22,-2.1 -2,-0.5 23,-0.3 -0.859 38.3-117.8-128.1 162.9 37.5 34.4 54.0 8 9 X E S S+ 0 0 19 -2,-0.3 23,-2.6 78,-0.3 20,-0.1 0.705 87.5 33.9 -75.7 -24.8 41.0 34.8 52.4 9 10 X S > - 0 0 18 21,-0.2 4,-2.3 20,-0.1 5,-0.1 -0.938 69.5-124.4-137.4 157.1 40.9 38.5 51.4 10 11 X P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.823 113.2 57.0 -65.5 -30.6 39.5 41.9 52.5 11 12 X A H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.934 109.9 43.4 -65.5 -47.0 37.8 42.2 49.1 12 13 X K H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.903 112.4 54.1 -63.6 -41.3 35.9 39.0 49.7 13 14 X A H X S+ 0 0 15 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.919 108.2 49.0 -59.6 -45.2 35.2 40.0 53.3 14 15 X K H X S+ 0 0 162 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.919 115.6 43.3 -61.7 -45.2 33.6 43.3 52.2 15 16 X T H >< S+ 0 0 13 -4,-2.0 3,-0.9 275,-0.3 4,-0.3 0.934 115.3 46.1 -68.3 -48.1 31.4 41.7 49.5 16 17 X I H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.827 102.9 65.9 -66.7 -29.2 30.2 38.7 51.6 17 18 X N H >< S+ 0 0 84 -4,-2.0 3,-1.1 -5,-0.3 -1,-0.2 0.793 90.0 65.9 -63.5 -26.6 29.5 40.9 54.6 18 19 X K T << S+ 0 0 131 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.730 107.5 40.6 -66.0 -21.3 26.8 42.6 52.5 19 20 X Y T < S+ 0 0 66 -3,-1.6 2,-0.4 -4,-0.3 -1,-0.2 0.238 100.7 80.5-114.3 12.1 24.8 39.4 52.6 20 21 X L S < S- 0 0 16 -3,-1.1 6,-0.1 -4,-0.2 4,-0.0 -0.982 72.4-131.3-122.8 130.5 25.4 38.1 56.1 21 22 X G > - 0 0 45 -2,-0.4 3,-1.6 1,-0.1 -2,-0.1 0.165 37.1 -82.7 -67.8-173.6 23.4 39.4 59.1 22 23 X S T 3 S+ 0 0 92 1,-0.3 -1,-0.1 3,-0.1 -20,-0.1 0.676 121.4 71.4 -66.6 -19.5 24.5 40.7 62.5 23 24 X D T 3 S+ 0 0 113 -21,-0.1 -20,-3.5 -22,-0.0 2,-0.4 0.523 92.8 73.7 -74.6 -4.5 24.7 37.2 63.8 24 25 X Y E < -a 3 0A 58 -3,-1.6 2,-0.6 -22,-0.2 -20,-0.2 -0.919 62.5-162.4-116.1 138.2 27.8 36.8 61.6 25 26 X V E -a 4 0A 47 -22,-3.1 -20,-3.0 -2,-0.4 2,-0.4 -0.968 16.3-157.4-116.5 111.2 31.3 38.3 62.1 26 27 X V E +a 5 0A 23 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.783 15.8 173.9 -94.9 131.8 33.3 38.2 58.9 27 28 X K E -a 6 0A 69 -22,-2.8 -20,-1.8 -2,-0.4 2,-0.3 -0.999 24.7-133.7-139.2 138.0 37.0 38.3 59.1 28 29 X S E -a 7 0A 21 -2,-0.4 -20,-0.2 -22,-0.2 -19,-0.1 -0.632 6.0-148.0 -88.2 147.5 39.8 38.0 56.5 29 30 X S - 0 0 0 -22,-2.1 -21,-0.2 -2,-0.3 -1,-0.1 0.363 39.8-122.2 -91.5 2.4 42.8 35.8 57.1 30 31 X V - 0 0 65 -23,-0.3 2,-0.2 39,-0.1 -21,-0.2 0.916 68.2 -51.8 55.9 45.6 44.9 38.2 55.0 31 32 X G S S- 0 0 23 -23,-2.6 2,-0.3 -24,-0.1 -2,-0.1 -0.606 110.6 -4.3 97.8-157.1 45.8 35.4 52.6 32 33 X H - 0 0 69 -2,-0.2 3,-0.1 1,-0.1 31,-0.1 -0.600 57.1-166.5 -73.2 134.0 47.3 32.0 53.3 33 34 X I + 0 0 2 -2,-0.3 30,-2.3 1,-0.3 2,-0.3 0.813 68.4 16.0 -93.6 -34.3 48.0 31.7 57.1 34 35 X R E S+E 62 0B 46 28,-0.3 -1,-0.3 62,-0.1 2,-0.3 -0.994 70.9 135.3-142.1 145.3 50.1 28.6 57.1 35 36 X D E -E 61 0B 26 26,-2.0 26,-3.0 -2,-0.3 3,-0.1 -0.937 55.6 -51.4-168.1-175.6 52.1 26.6 54.4 36 37 X L S S- 0 0 2 -2,-0.3 13,-0.1 24,-0.2 24,-0.1 -0.326 75.7 -79.9 -67.9 158.1 55.3 24.9 53.5 37 38 X P 0 0 18 0, 0.0 -1,-0.1 0, 0.0 26,-0.0 -0.279 360.0 360.0 -60.2 145.9 58.5 27.0 54.1 38 39 X T 0 0 154 -3,-0.1 -2,-0.0 0, 0.0 25,-0.0 0.752 360.0 360.0-110.3 360.0 59.3 29.5 51.4 39 ! 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 40 63 X E > 0 0 169 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-163.5 72.6 16.4 53.1 41 64 X R H > + 0 0 140 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 360.0 53.7 -57.1 -46.9 69.2 14.7 53.3 42 65 X G H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 110.2 46.6 -56.4 -44.1 68.2 16.3 56.6 43 66 X A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.864 111.1 53.6 -66.8 -36.0 68.9 19.8 55.2 44 67 X L H X S+ 0 0 24 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.954 109.7 46.7 -62.1 -50.8 66.9 18.9 52.1 45 68 X V H X>S+ 0 0 19 -4,-2.8 4,-2.7 1,-0.2 5,-0.5 0.867 110.8 52.9 -60.5 -38.6 63.9 17.9 54.2 46 69 X N H <5S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 111.8 45.9 -64.3 -40.2 64.2 21.0 56.3 47 70 X R H <5S+ 0 0 137 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.917 117.3 42.4 -68.8 -45.1 64.2 23.2 53.1 48 71 X M H <5S- 0 0 0 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.869 93.6-140.8 -70.2 -38.7 61.3 21.3 51.5 49 72 X G T <5S+ 0 0 4 -4,-2.7 10,-2.4 1,-0.3 2,-0.3 0.600 74.6 91.6 83.6 10.8 59.2 21.1 54.6 50 73 X V E < -F 58 0C 0 -5,-0.5 -1,-0.3 8,-0.2 8,-0.2 -0.996 64.8-149.5-138.5 141.4 58.2 17.6 53.5 51 74 X D E > > +F 57 0C 18 6,-1.7 5,-1.9 -2,-0.3 3,-1.3 -0.828 12.8 179.6-118.2 93.7 59.9 14.2 54.2 52 75 X P T 3 5S+ 0 0 9 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.763 87.5 52.4 -59.8 -25.8 59.6 11.6 51.4 53 76 X W T 3 5S+ 0 0 78 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.542 107.1 51.3 -89.4 -10.1 61.6 9.2 53.5 54 77 X H T X 5S- 0 0 120 -3,-1.3 3,-1.1 3,-0.1 -1,-0.2 -0.358 128.5 -83.5-123.4 51.9 59.4 9.5 56.6 55 78 X N T 3 5S- 0 0 87 -3,-0.5 -2,-0.1 1,-0.2 473,-0.0 0.828 82.4 -61.7 51.1 42.5 56.0 8.9 55.1 56 79 X W T 3 - 0 0 38 -30,-2.3 3,-2.2 1,-0.1 4,-0.3 -0.247 47.4 -76.8 -63.9 152.7 53.5 32.7 57.0 64 87 X P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.219 117.4 9.0 -51.3 133.8 55.6 35.8 57.8 65 88 X G T 3 S+ 0 0 66 -3,-0.1 3,-0.3 1,-0.1 4,-0.3 0.365 102.5 101.0 77.1 -2.7 53.6 38.5 59.6 66 89 X K <> + 0 0 43 -3,-2.2 4,-2.4 1,-0.2 3,-0.2 0.523 49.7 88.3 -94.2 -5.9 50.6 36.3 60.1 67 90 X E H > S+ 0 0 116 -4,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.901 90.9 53.3 -56.5 -38.1 51.1 35.3 63.8 68 91 X K H > S+ 0 0 161 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.864 107.1 50.8 -62.9 -37.7 49.1 38.4 64.6 69 92 X V H > S+ 0 0 8 -4,-0.3 4,-2.3 -3,-0.2 -2,-0.2 0.892 108.4 52.1 -67.6 -39.9 46.3 37.2 62.3 70 93 X V H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.938 110.3 48.2 -61.0 -46.6 46.3 33.8 64.1 71 94 X S H X S+ 0 0 72 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 111.5 50.3 -60.2 -44.5 46.0 35.6 67.4 72 95 X E H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.871 112.6 46.2 -62.3 -40.1 43.2 37.7 66.2 73 96 X L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.878 109.6 54.5 -71.3 -38.6 41.3 34.8 64.7 74 97 X K H X S+ 0 0 92 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.902 109.7 47.0 -62.0 -41.8 41.8 32.7 67.9 75 98 X Q H X S+ 0 0 116 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.904 113.1 48.4 -67.9 -40.6 40.3 35.5 70.1 76 99 X L H >< S+ 0 0 26 -4,-1.7 3,-0.5 1,-0.2 4,-0.4 0.868 109.7 54.4 -65.1 -36.5 37.3 35.9 67.7 77 100 X A H >< S+ 0 0 4 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.878 100.1 59.1 -65.0 -39.9 36.9 32.1 67.7 78 101 X E H 3< S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.782 109.1 45.5 -60.5 -27.3 36.6 32.0 71.5 79 102 X K T << S+ 0 0 144 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.3 0.463 99.9 88.4 -95.2 -3.5 33.6 34.4 71.3 80 103 X A < - 0 0 7 -3,-1.3 -77,-0.2 -4,-0.4 -78,-0.1 -0.750 61.0-155.1-100.3 144.8 31.9 32.4 68.5 81 104 X D S S+ 0 0 116 -79,-1.7 2,-0.3 -80,-0.4 -78,-0.2 0.726 85.9 11.2 -84.0 -24.7 29.5 29.5 68.9 82 105 X H E -b 3 0A 42 -80,-0.5 -78,-2.4 -81,-0.1 2,-0.4 -0.988 68.3-139.9-151.9 153.0 30.4 28.3 65.4 83 106 X I E -bc 4 111A 1 27,-2.8 29,-1.7 -2,-0.3 2,-0.6 -0.970 9.8-159.3-121.4 129.4 33.0 28.9 62.7 84 107 X Y E -bc 5 112A 36 -80,-3.6 -78,-2.6 -2,-0.4 2,-0.9 -0.930 7.5-152.0-111.7 117.9 32.3 29.0 59.0 85 108 X L E +bc 6 113A 1 27,-3.2 29,-2.0 -2,-0.6 -78,-0.1 -0.791 18.7 176.5 -88.7 105.7 35.3 28.5 56.6 86 109 X A + 0 0 0 -80,-2.4 -78,-0.3 -2,-0.9 -1,-0.1 -0.312 21.3 144.9-109.5 48.1 34.2 30.4 53.5 87 110 X T - 0 0 1 1,-0.2 6,-0.1 6,-0.2 -80,-0.1 -0.280 62.4 -69.1 -76.7 169.1 37.3 30.0 51.3 88 111 X D - 0 0 16 1,-0.1 -1,-0.2 27,-0.1 9,-0.2 -0.184 50.0-112.1 -58.5 153.9 37.1 29.7 47.6 89 112 X L S S+ 0 0 21 27,-0.4 -1,-0.1 4,-0.1 28,-0.1 0.542 83.1 94.5 -71.2 -10.0 35.6 26.4 46.3 90 113 X D S > S- 0 0 18 1,-0.1 4,-1.9 3,-0.0 5,-0.1 -0.107 91.8 -95.8 -79.1 178.5 38.7 24.8 44.7 91 114 X R H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.880 125.8 54.7 -62.1 -37.9 41.1 22.3 46.3 92 115 X E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 108.1 50.7 -59.8 -42.6 43.5 25.1 47.2 93 116 X G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 107.7 52.4 -62.6 -37.2 40.6 26.7 49.0 94 117 X E H X S+ 0 0 4 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.916 110.3 48.5 -65.2 -41.3 39.9 23.5 50.9 95 118 X A H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.872 109.1 52.3 -67.0 -38.0 43.5 23.3 52.0 96 119 X I H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.922 110.0 49.5 -62.9 -42.1 43.4 26.9 53.2 97 120 X A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.894 110.2 51.5 -62.1 -40.4 40.3 26.1 55.2 98 121 X W H X S+ 0 0 37 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 108.6 49.8 -63.2 -46.2 42.1 23.1 56.6 99 122 X H H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.902 109.9 52.5 -60.1 -40.9 45.1 25.2 57.7 100 123 X L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.915 110.6 46.4 -60.8 -46.0 42.8 27.7 59.3 101 124 X R H X S+ 0 0 40 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.907 112.6 51.2 -63.6 -41.6 41.0 24.9 61.3 102 125 X E H < S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 114.6 41.3 -64.8 -39.4 44.4 23.4 62.3 103 126 X V H < S+ 0 0 21 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.856 118.0 45.2 -78.8 -36.4 45.9 26.7 63.6 104 127 X I H < S- 0 0 18 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.933 95.4-172.5 -73.2 -45.3 42.7 28.0 65.3 105 128 X G < + 0 0 29 -4,-2.5 -1,-0.1 -5,-0.3 -2,-0.1 -0.432 29.2 119.4 90.2-162.6 42.0 24.6 67.0 106 129 X G S S- 0 0 65 -2,-0.1 -1,-0.1 -4,-0.1 2,-0.1 -0.245 75.8 -33.3 87.1 179.3 39.1 23.4 69.0 107 130 X D > - 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