==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 11-MAY-01 1IMO . COMPND 2 MOLECULE: DNA LIGASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.V.KRISHNAN,K.H.THORNTON,M.P.THELEN,M.COSMAN . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.7 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 . 8 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 1 835 A G 0 0 88 0, 0.0 4,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 83.1 -11.1 -3.1 11.1 2 836 A S >> + 0 0 52 2,-0.1 3,-2.1 3,-0.1 4,-2.0 0.935 360.0 69.9 -92.7 -53.2 -11.5 -1.4 8.4 3 837 A A H >>>S+ 0 0 16 1,-0.3 4,-2.6 2,-0.3 3,-1.3 0.900 101.4 50.5 -36.4 -62.5 -10.3 -3.7 5.7 4 838 A D H 345S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.810 115.0 45.9 -50.3 -29.7 -13.4 -5.9 6.1 5 839 A E H <45S+ 0 0 137 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.3 0.714 126.1 29.9 -86.3 -22.8 -15.3 -2.7 5.8 6 840 A T H X<5S+ 0 0 23 -4,-2.0 3,-1.4 -3,-1.3 -2,-0.2 0.863 122.5 43.5 -99.2 -61.9 -13.3 -1.6 2.9 7 841 A L T 3<5S+ 0 0 24 -4,-2.6 3,-0.3 1,-0.3 5,-0.2 0.556 85.2 103.2 -62.7 -4.2 -12.2 -4.7 1.1 8 842 A C T 3 < + 0 0 84 -5,-0.8 2,-0.5 -6,-0.3 -1,-0.3 0.610 69.7 69.3 -55.2 -9.2 -15.7 -5.6 1.8 9 843 A Q S X S- 0 0 126 -3,-1.4 3,-2.9 1,-0.0 2,-2.8 -0.493 126.2 -89.1-108.9 61.2 -16.1 -4.8 -1.9 10 844 A T T 3 S- 0 0 115 -2,-0.5 -3,-0.1 1,-0.3 -2,-0.0 -0.109 99.8 -30.7 61.1 -51.2 -14.2 -7.6 -3.4 11 845 A K T 3 S- 0 0 64 -2,-2.8 -1,-0.3 -5,-0.2 -3,-0.1 0.261 78.2-155.7-172.0 -5.8 -10.9 -5.8 -3.3 12 846 A V < + 0 0 27 -3,-2.9 2,-0.5 -5,-0.2 -5,-0.1 0.420 17.8 179.1 37.6-126.6 -12.2 -2.4 -3.7 13 847 A L + 0 0 46 -4,-0.1 3,-0.1 2,-0.0 -1,-0.1 -0.003 4.5 171.8 117.3-142.5 -9.2 -0.8 -5.1 14 848 A L - 0 0 85 -2,-0.5 2,-2.0 1,-0.2 3,-0.2 -0.658 56.2 -70.5 128.0 173.4 -9.8 2.8 -5.9 15 849 A D S S+ 0 0 64 1,-0.2 69,-0.3 64,-0.1 3,-0.2 -0.267 91.9 122.0 -79.5 51.9 -7.3 5.5 -6.9 16 850 A I S S+ 0 0 0 -2,-2.0 2,-2.4 1,-0.2 68,-1.3 0.921 74.8 28.4 -76.8 -92.1 -5.8 5.5 -3.5 17 851 A F S > S- 0 0 0 -3,-0.2 3,-5.7 66,-0.2 -1,-0.2 0.165 89.0-179.5 -59.7 28.3 -2.1 4.7 -3.7 18 852 A T T 3 S- 0 0 74 -2,-2.4 25,-0.1 1,-0.3 3,-0.1 -0.067 76.7 -15.1 -36.8 107.1 -2.4 6.4 -7.1 19 853 A G T 3 S+ 0 0 49 1,-0.2 2,-0.7 23,-0.1 -1,-0.3 0.656 103.4 147.0 65.6 14.0 1.1 6.1 -8.4 20 854 A V < - 0 0 7 -3,-5.7 2,-1.2 18,-0.1 24,-1.1 -0.732 35.6-161.3 -86.0 111.3 2.1 5.3 -4.8 21 855 A R B +a 44 0A 80 -2,-0.7 35,-9.9 22,-0.2 34,-0.9 -0.680 21.7 167.9 -96.2 82.3 5.0 2.9 -4.8 22 856 A L - 0 0 0 -2,-1.2 2,-1.1 22,-0.6 35,-0.5 -0.820 38.9-123.0 -99.5 133.9 5.0 1.5 -1.3 23 857 A Y - 0 0 23 -2,-0.4 35,-3.8 45,-0.3 22,-0.1 -0.631 26.4-153.8 -77.3 101.2 7.1 -1.5 -0.4 24 858 A L - 0 0 10 -2,-1.1 24,-0.2 33,-0.2 35,-0.1 -0.693 11.6-141.4 -81.5 112.0 4.5 -4.0 0.9 25 859 A P > - 0 0 14 0, 0.0 3,-0.9 0, 0.0 10,-0.1 -0.415 10.4-133.4 -72.5 146.5 6.3 -6.4 3.3 26 860 A P T 3 S+ 0 0 102 0, 0.0 5,-0.2 0, 0.0 6,-0.1 0.697 107.8 61.2 -72.3 -21.8 5.3 -10.1 3.2 27 861 A S T 3 S+ 0 0 119 4,-0.1 4,-0.0 2,-0.1 -3,-0.0 0.624 82.9 107.3 -80.1 -13.7 5.1 -9.9 7.0 28 862 A T S X S- 0 0 19 -3,-0.9 3,-1.2 1,-0.1 2,-0.1 -0.395 79.4-109.5 -67.4 142.4 2.4 -7.3 6.7 29 863 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.434 102.1 18.1 -72.4 144.1 -1.1 -8.5 7.6 30 864 A D T >> S+ 0 0 62 -2,-0.1 4,-2.9 3,-0.1 3,-0.7 0.623 80.7 147.0 69.0 11.8 -3.6 -8.9 4.8 31 865 A F H <> + 0 0 29 -3,-1.2 4,-3.2 1,-0.2 6,-0.2 0.901 55.7 74.3 -43.5 -50.5 -0.6 -8.9 2.5 32 866 A S H 3> S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.839 116.3 17.3 -28.3 -67.8 -2.4 -11.2 0.2 33 867 A R H <>>S+ 0 0 81 -3,-0.7 4,-3.7 1,-0.2 5,-0.6 0.932 115.2 72.9 -75.4 -48.3 -4.6 -8.4 -1.0 34 868 A L H X5S+ 0 0 3 -4,-2.9 4,-2.2 3,-0.2 5,-0.3 0.835 106.7 39.7 -32.2 -49.7 -2.4 -5.6 0.2 35 869 A R H X>S+ 0 0 119 -4,-3.2 5,-0.7 2,-0.2 4,-0.7 0.976 124.3 32.0 -66.3 -85.7 -0.1 -6.5 -2.6 36 870 A R H X5S+ 0 0 145 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.874 123.1 52.9 -38.5 -50.5 -2.3 -7.3 -5.6 37 871 A Y H X5S+ 0 0 4 -4,-3.7 4,-2.9 -6,-0.2 -1,-0.2 0.974 113.3 40.9 -51.2 -66.9 -4.7 -4.7 -4.2 38 872 A F H >XXS+ 0 0 1 -4,-2.2 3,-1.5 -5,-0.6 4,-0.9 0.928 120.5 38.3 -45.5 -90.9 -2.2 -1.9 -4.0 39 873 A V H 3<5S+ 0 0 59 -4,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.776 115.4 61.9 -31.5 -35.7 -0.2 -2.4 -7.2 40 874 A A H 3< - 0 0 102 -2,-0.4 3,-5.9 2,-0.1 7,-0.1 -0.501 33.2-112.9 -70.8 132.8 10.7 -6.0 -2.9 48 882 A E T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 -25,-0.0 0.825 124.2 43.1 -26.6 -69.4 12.3 -5.0 0.4 49 883 A F T 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.299 116.4 62.2 -66.2 14.8 15.8 -5.7 -1.0 50 884 A D < + 0 0 50 -3,-5.9 -1,-0.2 -4,-0.1 14,-0.1 -0.741 66.7 92.3-145.4 91.6 14.4 -4.0 -4.1 51 885 A M > + 0 0 2 12,-0.3 3,-8.7 -2,-0.3 13,-0.1 0.421 36.0 116.5-146.7 -39.2 13.4 -0.4 -3.7 52 886 A T T 3 S+ 0 0 113 11,-0.5 14,-0.1 1,-0.4 -2,-0.0 0.614 104.2 26.3 -5.2 -52.0 16.4 1.8 -4.6 53 887 A S T 3 S+ 0 0 106 11,-0.0 -1,-0.4 14,-0.0 11,-0.1 0.579 105.5 111.3 -95.5 -13.9 14.1 2.9 -7.4 54 888 A A < - 0 0 9 -3,-8.7 -3,-0.1 1,-0.1 -32,-0.1 0.242 55.3-154.5 -46.6-177.0 11.0 2.1 -5.4 55 889 A T + 0 0 28 -34,-0.9 2,-0.3 1,-0.5 -33,-0.2 0.559 68.6 29.4-133.4 -42.0 8.8 5.0 -4.2 56 890 A H - 0 0 25 -35,-9.9 -1,-0.5 11,-0.4 -10,-0.3 -0.859 58.2-164.6-124.9 160.0 7.0 3.8 -1.1 57 891 A V E -b 69 0B 0 11,-4.2 13,-1.2 -35,-0.5 2,-0.5 -0.958 19.4-131.5-148.5 125.5 7.7 1.3 1.6 58 892 A L E S-b 70 0B 4 -35,-3.8 13,-0.2 -2,-0.3 11,-0.1 -0.645 83.9 -10.1 -79.2 123.8 5.4 -0.3 4.1 59 893 A G S S+ 0 0 39 11,-3.4 -1,-0.1 -2,-0.5 11,-0.1 0.902 128.6 12.8 60.3 101.9 6.8 -0.2 7.6 60 894 A S - 0 0 85 -3,-0.2 10,-0.2 9,-0.1 -37,-0.2 -0.076 56.8-148.7 85.6 172.2 10.4 1.0 7.5 61 895 A R > + 0 0 102 8,-0.1 3,-7.5 6,-0.0 5,-0.2 0.460 62.3 109.8-142.0 -32.3 12.4 2.5 4.7 62 896 A D T 3 S+ 0 0 111 1,-0.3 4,-0.2 2,-0.1 5,-0.1 0.689 79.8 56.5 -13.5 -78.0 16.0 1.4 5.2 63 897 A K T 3 S+ 0 0 37 1,-0.3 -11,-0.5 2,-0.1 -12,-0.3 0.769 134.8 7.2 -31.4 -34.1 15.8 -0.9 2.2 64 898 A N X + 0 0 6 -3,-7.5 3,-1.5 -13,-0.1 -1,-0.3 -0.683 60.7 179.9-158.9 97.4 14.9 2.3 0.5 65 899 A P T 3 S+ 0 0 85 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.580 87.2 66.7 -72.4 -11.7 15.1 5.7 2.3 66 900 A A T 3 S+ 0 0 75 -5,-0.2 2,-0.1 -4,-0.2 -4,-0.1 0.459 94.2 74.1 -88.2 -2.4 13.9 7.3 -0.9 67 901 A A S < S- 0 0 4 -3,-1.5 2,-0.4 -6,-0.2 -11,-0.4 -0.118 93.4 -91.0 -94.7-165.2 10.5 5.5 -0.5 68 902 A Q - 0 0 73 -47,-0.4 -11,-4.2 -2,-0.1 2,-1.6 -0.947 19.4-139.9-116.4 131.7 7.7 6.2 1.9 69 903 A Q E +b 57 0B 70 -2,-0.4 -11,-0.2 18,-0.2 -9,-0.1 -0.511 45.8 157.4 -88.2 68.5 7.4 4.7 5.3 70 904 A V E -b 58 0B 1 -2,-1.6 -11,-3.4 -13,-1.2 -10,-0.1 -0.321 25.9-147.2 -86.4 173.3 3.6 4.1 5.2 71 905 A S > - 0 0 31 -13,-0.2 4,-1.2 -2,-0.1 3,-0.2 -0.593 35.0 -87.7-128.0-170.4 1.6 1.7 7.2 72 906 A P H > S+ 0 0 40 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.772 124.8 58.2 -72.5 -29.3 -1.5 -0.5 6.9 73 907 A E H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.784 100.3 58.5 -71.9 -27.3 -3.6 2.4 8.1 74 908 A W H > S+ 0 0 7 2,-0.2 4,-3.6 1,-0.2 11,-0.3 0.948 101.8 52.3 -66.7 -49.9 -2.4 4.5 5.2 75 909 A I H X S+ 0 0 1 -4,-1.2 4,-3.5 2,-0.2 5,-0.4 0.935 115.0 42.5 -51.1 -52.2 -3.6 2.1 2.6 76 910 A W H X S+ 0 0 40 -4,-1.4 4,-3.2 1,-0.2 5,-0.4 0.986 117.6 43.7 -59.0 -62.4 -7.1 2.1 4.1 77 911 A A H X S+ 0 0 42 -4,-2.6 4,-1.3 2,-0.2 6,-0.3 0.847 120.8 46.2 -51.9 -35.7 -7.2 5.8 4.7 78 912 A C H >X>S+ 0 0 0 -4,-3.6 4,-1.4 -5,-0.2 3,-0.9 0.994 113.6 42.8 -71.2 -69.9 -5.8 6.2 1.3 79 913 A I H ><5S+ 0 0 2 -4,-3.5 3,-0.5 1,-0.3 -2,-0.2 0.868 118.9 47.8 -43.7 -43.6 -7.9 3.8 -0.7 80 914 A R H 3<5S+ 0 0 154 -4,-3.2 -1,-0.3 -5,-0.4 -2,-0.2 0.849 111.4 49.4 -69.0 -34.8 -10.9 5.2 1.2 81 915 A K H <<5S- 0 0 114 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.555 100.3-139.1 -80.0 -8.8 -9.7 8.7 0.5 82 916 A R T <<5S+ 0 0 97 -4,-1.4 2,-0.3 -3,-0.5 -3,-0.2 0.526 82.6 76.0 61.9 2.2 -9.3 7.8 -3.1 83 917 A R S