==== 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 1IN1 . 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) . 5230.0 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 . 10 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.5 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 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 98 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.7 -13.0 -2.6 11.1 2 836 A S >> + 0 0 51 3,-0.1 3,-1.6 2,-0.0 4,-0.8 0.735 360.0 31.0-108.9 -79.8 -11.1 -1.2 8.2 3 837 A A G >4>S+ 0 0 10 1,-0.3 3,-2.9 2,-0.3 5,-1.5 0.939 122.0 51.0 -46.3 -59.5 -10.3 -3.7 5.5 4 838 A D G 345S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.2 -2,-0.0 0.727 117.0 43.3 -52.6 -20.6 -13.4 -5.7 6.2 5 839 A E G <45S+ 0 0 150 -3,-1.6 -1,-0.3 3,-0.1 -2,-0.3 0.456 132.7 20.1-102.7 -5.4 -15.1 -2.3 5.9 6 840 A T T X<5S+ 0 0 23 -3,-2.9 3,-1.7 -4,-0.8 -3,-0.2 0.587 129.8 35.4-122.9 -77.1 -13.1 -1.3 2.8 7 841 A L T 3 5S+ 0 0 6 1,-0.3 -3,-0.2 5,-0.1 5,-0.1 0.493 92.7 98.7 -62.6 0.3 -11.5 -4.2 0.8 8 842 A C T 3 < + 0 0 73 -5,-1.5 2,-1.1 -6,-0.3 -1,-0.3 0.641 63.8 79.5 -62.8 -12.8 -14.7 -6.0 1.9 9 843 A Q S X S- 0 0 131 -3,-1.7 2,-4.2 1,-0.1 3,-2.8 -0.481 124.7 -90.0 -94.8 62.4 -15.9 -5.1 -1.6 10 844 A T T 3 S- 0 0 125 -2,-1.1 -1,-0.1 1,-0.3 -3,-0.1 -0.247 100.5 -31.8 65.8 -60.4 -14.0 -7.8 -3.4 11 845 A K T 3 - 0 0 42 -2,-4.2 2,-5.7 -5,-0.1 -1,-0.3 0.293 68.4-174.4-163.6 -11.7 -11.0 -5.5 -3.8 12 846 A V < + 0 0 33 -3,-2.8 2,-2.3 1,-0.2 -5,-0.1 0.085 19.3 168.8 37.4 -58.0 -12.6 -2.0 -4.1 13 847 A L - 0 0 32 -2,-5.7 3,-0.4 2,-0.1 -1,-0.2 -0.344 14.4-178.7 59.9 -81.1 -9.0 -0.9 -4.7 14 848 A L - 0 0 74 -2,-2.3 2,-2.2 1,-0.2 3,-0.1 0.146 50.6 -61.2 71.0 165.7 -10.0 2.6 -5.8 15 849 A D S S+ 0 0 41 1,-0.1 3,-0.3 64,-0.1 69,-0.3 -0.328 94.9 124.4 -80.1 56.7 -7.6 5.3 -7.0 16 850 A I S S+ 0 0 0 -2,-2.2 2,-5.7 -3,-0.4 68,-1.1 0.858 72.0 28.7 -79.3 -99.8 -5.9 5.3 -3.6 17 851 A F S > S- 0 0 0 -4,-0.2 3,-6.8 66,-0.2 -1,-0.2 0.164 88.7-177.0 -53.0 31.9 -2.1 4.6 -3.8 18 852 A T T 3 S- 0 0 75 -2,-5.7 3,-0.1 1,-0.3 25,-0.1 -0.106 77.4 -14.7 -39.3 104.5 -2.6 6.3 -7.2 19 853 A G T 3 S+ 0 0 50 1,-0.2 2,-0.9 20,-0.1 -1,-0.3 0.650 105.1 144.0 68.2 14.0 1.0 6.0 -8.5 20 854 A V < - 0 0 7 -3,-6.8 2,-1.2 18,-0.1 24,-0.7 -0.771 34.5-166.2 -90.5 103.6 1.9 5.2 -4.9 21 855 A R B +a 44 0A 100 -2,-0.9 35,-9.9 22,-0.2 34,-0.9 -0.720 17.7 171.3 -92.5 89.2 4.7 2.6 -5.0 22 856 A L - 0 0 0 -2,-1.2 2,-1.0 22,-0.6 35,-0.5 -0.829 38.3-118.6-102.3 137.7 4.9 1.4 -1.4 23 857 A Y - 0 0 18 -2,-0.4 35,-4.3 45,-0.3 22,-0.1 -0.628 28.2-152.9 -76.6 102.5 7.0 -1.6 -0.4 24 858 A L - 0 0 2 -2,-1.0 24,-0.2 33,-0.2 35,-0.1 -0.697 11.7-141.9 -82.0 111.3 4.5 -4.1 1.0 25 859 A P > - 0 0 12 0, 0.0 3,-0.9 0, 0.0 10,-0.1 -0.419 10.5-133.8 -72.4 146.0 6.3 -6.3 3.5 26 860 A P T 3 S+ 0 0 97 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.688 108.4 59.2 -72.4 -21.0 5.4 -10.0 3.6 27 861 A S T 3 S+ 0 0 120 4,-0.1 -3,-0.0 2,-0.1 4,-0.0 0.583 83.9 108.5 -83.7 -11.2 5.2 -9.7 7.4 28 862 A T S X S- 0 0 19 -3,-0.9 3,-1.1 1,-0.1 2,-0.1 -0.412 78.5-109.8 -68.7 142.3 2.5 -7.1 7.0 29 863 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.438 102.1 19.0 -72.4 143.8 -1.0 -8.1 8.0 30 864 A D T 3> S+ 0 0 75 -2,-0.1 4,-3.2 3,-0.1 3,-0.3 0.652 80.1 147.0 69.4 14.5 -3.5 -8.6 5.2 31 865 A F H <> + 0 0 32 -3,-1.1 4,-3.1 1,-0.2 5,-0.2 0.905 55.1 74.7 -46.5 -48.9 -0.5 -8.8 2.9 32 866 A S H > S+ 0 0 97 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.833 117.0 15.1 -27.6 -76.6 -2.5 -11.2 0.7 33 867 A R H >>S+ 0 0 117 -3,-0.3 4,-1.9 1,-0.2 5,-0.6 0.890 115.0 77.4 -70.8 -40.3 -4.7 -8.5 -0.8 34 868 A L H X5S+ 0 0 0 -4,-3.2 4,-1.3 3,-0.2 5,-0.3 0.843 103.5 39.5 -35.0 -47.6 -2.4 -5.8 0.4 35 869 A R H X>S+ 0 0 97 -4,-3.1 5,-0.7 -3,-0.4 4,-0.6 0.961 124.2 31.1 -68.1 -89.2 -0.2 -6.7 -2.5 36 870 A R H X5S+ 0 0 198 -4,-0.8 4,-3.4 1,-0.2 5,-0.2 0.874 122.3 53.1 -33.6 -63.0 -2.5 -7.5 -5.5 37 871 A Y H X5S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.915 113.4 40.7 -38.6 -76.1 -5.0 -4.9 -4.2 38 872 A F H >XXS+ 0 0 0 -4,-1.3 3,-5.0 -5,-0.6 4,-0.7 0.881 121.6 37.3 -38.0 -94.5 -2.5 -2.1 -3.9 39 873 A V H ><5S+ 0 0 51 -4,-0.6 3,-0.5 1,-0.3 -1,-0.3 0.780 114.0 62.8 -29.1 -39.4 -0.4 -2.5 -7.0 40 874 A A H 3< - 0 0 102 -2,-0.4 3,-5.9 2,-0.1 7,-0.1 -0.487 33.2-113.0 -69.7 132.5 10.6 -6.1 -2.7 48 882 A E T 3 S+ 0 0 95 1,-0.3 -1,-0.1 -2,-0.2 -25,-0.0 0.821 124.0 43.8 -26.2 -71.1 12.2 -4.9 0.6 49 883 A F T 3 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.334 116.3 62.1 -63.2 13.0 15.7 -5.8 -0.7 50 884 A D < + 0 0 52 -3,-5.9 -1,-0.2 -4,-0.1 14,-0.1 -0.759 65.8 93.7-144.3 92.8 14.3 -4.1 -3.9 51 885 A M > + 0 0 2 12,-0.3 3,-6.9 -2,-0.3 13,-0.1 0.425 36.5 115.9-146.8 -36.0 13.3 -0.5 -3.6 52 886 A T T 3 S+ 0 0 117 11,-0.5 14,-0.1 1,-0.4 -2,-0.0 0.645 104.5 25.2 -8.7 -51.7 16.3 1.6 -4.7 53 887 A S T 3 S+ 0 0 101 11,-0.0 -1,-0.4 0, 0.0 11,-0.1 0.584 105.4 113.3 -95.8 -14.5 14.0 2.7 -7.5 54 888 A A < - 0 0 8 -3,-6.9 -3,-0.1 1,-0.1 -32,-0.1 0.205 54.8-154.1 -45.4 179.0 10.8 1.9 -5.4 55 889 A T + 0 0 27 -34,-0.9 2,-0.3 1,-0.5 -33,-0.2 0.589 69.4 26.4-129.0 -41.5 8.6 4.8 -4.4 56 890 A H - 0 0 26 -35,-9.9 -1,-0.5 11,-0.4 -10,-0.3 -0.856 58.8-162.2-126.3 161.8 6.8 3.7 -1.2 57 891 A V E -b 69 0B 0 11,-3.5 13,-1.1 -35,-0.5 2,-0.5 -0.957 19.7-129.9-148.7 125.5 7.6 1.3 1.6 58 892 A L E S-b 70 0B 2 -35,-4.3 13,-0.2 -2,-0.3 11,-0.1 -0.630 83.3 -14.7 -77.6 123.0 5.3 -0.3 4.1 59 893 A G S S+ 0 0 36 11,-3.8 -1,-0.2 -2,-0.5 11,-0.1 0.832 128.0 18.3 49.5 113.0 6.7 0.1 7.7 60 894 A S - 0 0 84 9,-0.2 10,-0.1 -3,-0.1 8,-0.1 -0.012 57.4-152.2 84.5 166.3 10.3 1.1 7.6 61 895 A R > + 0 0 117 8,-0.1 3,-7.6 6,-0.1 5,-0.2 0.438 60.8 109.4-144.8 -33.6 12.3 2.6 4.7 62 896 A D T 3 S+ 0 0 130 1,-0.3 4,-0.2 2,-0.1 5,-0.1 0.690 80.2 56.8 -13.6 -76.7 15.9 1.6 5.2 63 897 A K T 3 S+ 0 0 29 1,-0.3 -11,-0.5 2,-0.1 -12,-0.3 0.772 134.9 6.2 -32.4 -33.7 15.7 -0.8 2.2 64 898 A N X - 0 0 8 -3,-7.6 3,-1.5 -13,-0.1 -1,-0.3 -0.671 60.5-180.0-160.0 97.4 14.7 2.4 0.4 65 899 A P T 3 S+ 0 0 74 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.583 87.4 66.6 -72.4 -11.9 14.8 5.8 2.2 66 900 A A T 3 S+ 0 0 72 -5,-0.2 -4,-0.1 -4,-0.2 -3,-0.0 0.477 95.2 71.7 -87.5 -3.7 13.6 7.2 -1.1 67 901 A A S < S- 0 0 3 -3,-1.5 2,-0.4 -6,-0.2 -11,-0.4 0.069 94.1 -88.0 -91.3-155.4 10.3 5.4 -0.6 68 902 A Q - 0 0 69 -47,-0.3 -11,-3.5 -8,-0.1 2,-1.6 -0.985 16.6-141.5-126.5 132.0 7.5 6.0 1.8 69 903 A Q E +b 57 0B 69 -2,-0.4 -11,-0.2 18,-0.2 -9,-0.2 -0.420 48.0 155.1 -87.1 60.7 7.2 4.7 5.3 70 904 A V E -b 58 0B 0 -2,-1.6 -11,-3.8 -13,-1.1 -2,-0.0 -0.281 26.4-151.4 -81.7 171.7 3.4 4.1 5.1 71 905 A S > - 0 0 28 -13,-0.2 4,-1.2 -12,-0.1 3,-0.2 -0.578 37.2 -83.4-129.3-168.1 1.4 1.6 7.1 72 906 A P H > S+ 0 0 38 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.748 126.2 58.0 -72.3 -26.9 -1.7 -0.5 6.9 73 907 A E H > S+ 0 0 136 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.791 100.6 57.2 -74.2 -28.4 -3.8 2.5 8.0 74 908 A W H > S+ 0 0 7 2,-0.2 4,-3.6 3,-0.2 11,-0.3 0.934 102.7 53.0 -67.2 -47.2 -2.4 4.5 5.1 75 909 A I H X S+ 0 0 0 -4,-1.2 4,-3.1 2,-0.2 5,-0.4 0.944 117.2 37.8 -52.7 -53.4 -3.7 2.0 2.5 76 910 A W H X S+ 0 0 19 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.982 119.0 46.4 -62.7 -59.1 -7.2 2.2 4.0 77 911 A A H X S+ 0 0 40 -4,-2.9 4,-1.0 2,-0.2 6,-0.2 0.846 121.2 42.8 -51.8 -35.7 -7.2 5.9 4.7 78 912 A C H >X>S+ 0 0 0 -4,-3.6 3,-1.7 -5,-0.2 5,-1.1 0.990 116.5 41.0 -73.6 -72.9 -5.8 6.3 1.2 79 913 A I H 3<5S+ 0 0 0 -4,-3.1 3,-0.4 1,-0.3 -2,-0.2 0.814 118.9 51.8 -44.7 -33.6 -7.9 3.9 -0.8 80 914 A R H 3<5S+ 0 0 178 -4,-3.4 -1,-0.3 -5,-0.4 -2,-0.2 0.824 110.0 46.7 -73.9 -32.4 -10.8 5.3 1.3 81 915 A K H <<5S- 0 0 132 -3,-1.7 -2,-0.2 -4,-1.0 -1,-0.2 0.411 102.7-135.1 -88.1 1.1 -9.8 8.8 0.5 82 916 A R T <5S+ 0 0 142 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.663 85.1 75.2 53.3 14.0 -9.5 7.8 -3.2 83 917 A R S