==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-MAR-02 1L7B . COMPND 2 MOLECULE: DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR G.SAHOTA,B.L.DIXON,Y.P.HUANG,J.ARAMINI,D.MONLEON, . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 54.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 9.8 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 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 0 231 0, 0.0 2,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -30.7 -19.7 6.9 -19.3 2 2 A E + 0 0 180 1,-0.2 3,-0.1 2,-0.0 0, 0.0 -0.643 360.0 176.1 -80.4 102.9 -19.1 4.6 -16.3 3 3 A K - 0 0 193 -2,-1.1 2,-1.5 1,-0.2 -1,-0.2 0.734 15.4-169.0 -78.9 -20.0 -15.8 5.8 -14.9 4 4 A G - 0 0 66 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 -0.479 2.5-168.2 68.7 -92.4 -16.2 3.3 -12.0 5 5 A G + 0 0 25 -2,-1.5 -1,-0.2 -3,-0.1 -2,-0.1 0.994 45.9 115.2 71.3 64.6 -13.3 4.6 -9.8 6 6 A E + 0 0 146 2,-0.0 -2,-0.1 4,-0.0 -1,-0.0 0.104 21.5 136.3-151.2 26.2 -13.1 1.7 -7.3 7 7 A A S S- 0 0 20 1,-0.2 70,-0.1 70,-0.1 71,-0.1 0.920 96.1 -36.5 -42.1 -85.4 -9.6 0.2 -7.8 8 8 A L S > S+ 0 0 6 25,-0.4 3,-0.6 69,-0.1 -1,-0.2 -0.038 98.9 138.0-133.8 30.8 -8.6 -0.3 -4.1 9 9 A K T 3 + 0 0 50 1,-0.2 26,-0.1 26,-0.1 3,-0.1 -0.254 51.3 52.3 -72.6 166.2 -10.2 2.9 -2.6 10 10 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 24,-0.2 -1,-0.2 0.515 92.5 102.6 84.7 2.3 -12.0 2.7 0.7 11 11 A L < - 0 0 59 -3,-0.6 25,-1.6 2,-0.0 2,-0.4 -0.868 60.6-145.0-118.7 153.7 -8.9 1.0 2.3 12 12 A T E -a 36 0A 36 -2,-0.3 2,-0.4 23,-0.2 25,-0.3 -0.902 8.7-161.4-116.8 145.4 -6.2 2.4 4.6 13 13 A F E -a 37 0A 1 23,-1.1 25,-3.1 -2,-0.4 2,-0.3 -0.981 4.2-167.2-130.2 126.2 -2.5 1.4 4.5 14 14 A V E -ab 38 48A 4 33,-2.6 35,-1.4 -2,-0.4 2,-0.5 -0.839 11.2-145.0-111.1 148.6 -0.0 2.1 7.4 15 15 A I - 0 0 5 23,-1.3 2,-0.9 -2,-0.3 35,-0.1 -0.939 21.1-124.7-115.1 119.9 3.8 1.7 7.2 16 16 A T S > S- 0 0 29 -2,-0.5 2,-2.8 33,-0.2 3,-2.8 -0.424 74.1 -59.4 -61.5 101.4 5.6 0.5 10.3 17 17 A G T 3 S- 0 0 52 -2,-0.9 -1,-0.1 1,-0.3 -2,-0.1 -0.253 120.3 -26.9 57.3 -77.7 8.1 3.4 10.8 18 18 A E T > S- 0 0 95 -2,-2.8 3,-1.6 4,-0.1 -1,-0.3 0.368 71.5-127.5-146.5 -0.9 9.6 2.8 7.3 19 19 A L T < - 0 0 12 -3,-2.8 38,-0.2 1,-0.2 -2,-0.1 0.367 64.7 -79.6 67.5 -14.8 9.0 -0.9 6.5 20 20 A S T 3 S+ 0 0 56 1,-0.4 -1,-0.2 35,-0.3 33,-0.1 0.806 113.4 61.4 88.8 33.3 12.9 -1.0 5.8 21 21 A R S < S- 0 0 144 -3,-1.6 2,-1.2 31,-0.1 -1,-0.4 -0.966 107.6 -50.1-170.1 176.6 12.5 0.6 2.3 22 22 A P > + 0 0 66 0, 0.0 4,-1.0 0, 0.0 5,-0.1 -0.437 52.8 169.0 -65.1 94.5 11.2 3.8 0.5 23 23 A R H > S+ 0 0 97 -2,-1.2 4,-1.0 1,-0.2 5,-0.1 0.624 71.1 62.4 -83.8 -12.1 7.8 4.1 2.1 24 24 A E H > S+ 0 0 160 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.902 100.9 50.0 -80.3 -40.8 7.3 7.6 0.6 25 25 A E H > S+ 0 0 134 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.988 115.0 41.9 -61.2 -58.1 7.5 6.5 -3.0 26 26 A V H X S+ 0 0 43 -4,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.878 116.8 50.7 -58.2 -34.7 4.9 3.7 -2.7 27 27 A K H X S+ 0 0 20 -4,-1.0 4,-2.1 1,-0.2 5,-0.3 0.856 102.5 59.7 -72.9 -31.7 2.8 6.1 -0.5 28 28 A A H X S+ 0 0 32 -4,-2.4 4,-0.8 -3,-0.2 -1,-0.2 0.845 112.4 40.1 -65.0 -29.3 3.1 8.9 -3.1 29 29 A L H X S+ 0 0 68 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.810 107.8 62.5 -87.7 -31.7 1.3 6.4 -5.6 30 30 A L H ><>S+ 0 0 1 -4,-1.9 3,-0.7 -5,-0.2 5,-0.5 0.972 104.3 47.0 -58.1 -53.0 -1.1 5.1 -2.9 31 31 A R H ><5S+ 0 0 147 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.930 109.5 54.8 -55.3 -42.5 -2.7 8.6 -2.5 32 32 A R H 3<5S+ 0 0 182 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.859 99.1 63.0 -59.3 -31.9 -2.9 8.8 -6.3 33 33 A L T <<5S- 0 0 3 -4,-1.7 -25,-0.4 -3,-0.7 -1,-0.3 0.413 116.2-117.8 -75.1 7.1 -4.8 5.5 -6.1 34 34 A G T < 5S+ 0 0 40 -3,-2.2 -24,-0.2 1,-0.3 -3,-0.1 0.035 80.6 116.8 81.9 -33.3 -7.5 7.3 -4.2 35 35 A A < - 0 0 3 -5,-0.5 -1,-0.3 -2,-0.3 2,-0.2 -0.226 63.4-125.2 -65.0 160.2 -6.9 5.1 -1.1 36 36 A K E -a 12 0A 157 -25,-1.6 -23,-1.1 -3,-0.1 2,-0.3 -0.618 22.1-160.6-103.6 166.1 -5.7 6.7 2.1 37 37 A V E -a 13 0A 49 -25,-0.3 -23,-0.2 -2,-0.2 2,-0.2 -0.918 7.9-177.6-141.1 167.6 -2.6 5.8 4.2 38 38 A T E -a 14 0A 46 -25,-3.1 -23,-1.3 -2,-0.3 3,-0.0 -0.822 24.2-146.1-149.8-170.4 -1.3 6.3 7.7 39 39 A D S S+ 0 0 99 -25,-0.3 2,-0.3 -2,-0.2 -22,-0.3 0.074 74.2 61.0-156.8 28.5 1.8 5.6 9.9 40 40 A S - 0 0 74 -24,-0.1 2,-0.4 -23,-0.0 6,-0.3 -0.920 65.4-133.6-148.7 172.8 0.3 5.0 13.4 41 41 A V + 0 0 91 -2,-0.3 3,-0.0 4,-0.1 -3,-0.0 -0.976 42.0 133.3-140.5 128.2 -2.1 2.5 15.2 42 42 A S S S- 0 0 116 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.479 82.5 -73.1-139.4 -32.2 -5.0 3.2 17.6 43 43 A R S S+ 0 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.254 122.4 66.0 165.3 -63.6 -7.9 1.1 16.3 44 44 A K S S+ 0 0 152 2,-0.0 -3,-0.0 -3,-0.0 0, 0.0 0.741 105.8 54.2 -57.5 -19.1 -9.4 2.6 13.0 45 45 A T + 0 0 19 1,-0.1 -4,-0.1 -32,-0.0 -33,-0.1 0.734 50.3 132.8 -81.7-108.8 -6.0 1.7 11.4 46 46 A S + 0 0 23 -6,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.840 50.5 112.0 61.6 32.6 -4.8 -1.9 11.8 47 47 A Y + 0 0 80 21,-0.1 -33,-2.6 19,-0.0 2,-0.3 -0.963 40.5 172.4-137.4 117.4 -4.0 -2.0 8.0 48 48 A L B -b 14 0A 0 -2,-0.4 21,-1.3 -35,-0.3 2,-0.8 -0.953 33.0-123.8-128.3 149.0 -0.4 -2.2 6.8 49 49 A V E -c 69 0B 2 -35,-1.4 2,-1.3 -2,-0.3 21,-0.2 -0.779 21.7-149.3 -91.1 111.7 1.2 -2.6 3.3 50 50 A V E +c 70 0B 40 19,-1.6 21,-0.7 -2,-0.8 22,-0.3 -0.644 43.8 138.0 -82.6 95.4 3.5 -5.7 3.4 51 51 A G + 0 0 38 -2,-1.3 -1,-0.2 20,-0.1 -32,-0.1 0.842 55.3 45.4-103.0 -66.1 6.1 -4.7 0.8 52 52 A E S S- 0 0 32 1,-0.1 -32,-0.1 -33,-0.1 -31,-0.1 0.067 72.7-135.9 -66.0-172.4 9.6 -5.7 2.1 53 53 A N S S+ 0 0 135 -33,-0.1 -1,-0.1 -34,-0.1 5,-0.0 0.748 99.5 26.0-112.6 -62.7 10.3 -9.1 3.7 54 54 A P S S+ 0 0 101 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.200 94.4 144.4 -86.1 16.3 12.5 -8.5 6.8 55 55 A G S > S- 0 0 0 1,-0.2 3,-2.2 2,-0.1 -35,-0.3 -0.061 70.8-107.2 -52.3 157.9 11.0 -5.0 7.0 56 56 A S T > S+ 0 0 74 1,-0.3 3,-1.8 -40,-0.2 4,-0.3 0.717 111.8 86.5 -62.5 -14.6 10.3 -3.5 10.4 57 57 A K T 3>> + 0 0 10 1,-0.3 4,-5.0 -38,-0.2 5,-0.7 0.723 56.2 97.8 -58.4 -18.5 6.7 -4.2 9.5 58 58 A L H <>5S+ 0 0 107 -3,-2.2 4,-0.8 1,-0.2 5,-0.3 0.784 80.0 57.9 -44.1 -23.3 7.3 -7.7 10.9 59 59 A E H <>5S+ 0 0 164 -3,-1.8 4,-1.5 3,-0.2 -1,-0.2 0.986 124.4 15.8 -73.5 -59.8 5.7 -6.1 14.0 60 60 A K H 45S+ 0 0 17 -4,-0.3 -2,-0.2 -3,-0.2 -12,-0.1 0.768 125.7 60.2 -85.0 -25.3 2.3 -5.2 12.5 61 61 A A H <5S+ 0 0 20 -4,-5.0 -3,-0.2 1,-0.1 -1,-0.2 0.856 112.6 37.5 -71.9 -32.1 2.8 -7.3 9.4 62 62 A R H < -c 50 0B 78 -2,-0.6 4,-0.9 -21,-0.2 3,-0.3 -0.347 10.8-147.5 -57.5 127.8 -1.0 -7.5 1.6 71 71 A E H > S+ 0 0 24 -21,-0.7 4,-2.6 1,-0.2 5,-0.2 0.779 92.3 75.4 -70.1 -21.4 0.8 -4.8 -0.5 72 72 A E H > S+ 0 0 128 -22,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.966 92.0 51.1 -53.9 -53.6 0.5 -7.2 -3.5 73 73 A E H > S+ 0 0 85 -3,-0.3 4,-1.7 1,-0.3 5,-0.4 0.915 110.7 50.1 -51.4 -41.7 -3.2 -6.3 -3.8 74 74 A L H X S+ 0 0 5 -4,-0.9 4,-1.2 1,-0.2 -1,-0.3 0.910 110.1 49.8 -65.1 -38.6 -2.2 -2.6 -3.8 75 75 A Y H X S+ 0 0 89 -4,-2.6 4,-1.6 2,-0.2 5,-0.3 0.847 112.1 50.7 -69.5 -30.5 0.4 -3.4 -6.5 76 76 A R H X S+ 0 0 186 -4,-2.6 4,-2.9 -5,-0.2 5,-0.4 0.991 112.2 39.1 -70.0 -76.3 -2.2 -5.1 -8.6 77 77 A L H X S+ 0 0 47 -4,-1.7 4,-0.6 1,-0.2 5,-0.3 0.799 112.2 64.8 -47.7 -24.8 -5.1 -2.6 -8.7 78 78 A L H >X S+ 0 0 10 -4,-1.2 4,-4.2 -5,-0.4 3,-1.1 1.000 113.9 27.1 -61.9 -65.4 -2.4 0.0 -9.1 79 79 A E H 3X S+ 0 0 50 -4,-1.6 4,-2.9 1,-0.3 5,-0.2 0.968 119.0 58.7 -60.5 -51.1 -1.2 -1.3 -12.4 80 80 A A H 3< S+ 0 0 75 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.680 120.7 30.8 -54.0 -12.4 -4.6 -2.7 -13.3 81 81 A R H << S+ 0 0 105 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.699 120.7 48.9-114.8 -36.6 -5.8 0.9 -12.8 82 82 A T H < S- 0 0 75 -4,-4.2 -3,-0.2 -5,-0.3 -2,-0.2 0.949 86.7-149.8 -69.8 -47.3 -2.7 2.9 -13.9 83 83 A G < + 0 0 73 -4,-2.9 2,-0.3 1,-0.3 -3,-0.1 0.674 67.3 74.3 85.1 16.6 -2.3 0.9 -17.2 84 84 A K S S- 0 0 108 -5,-0.2 -1,-0.3 0, 0.0 -2,-0.1 -0.973 96.0 -74.5-152.3 164.9 1.5 1.5 -17.1 85 85 A K - 0 0 85 -2,-0.3 5,-0.0 1,-0.2 0, 0.0 -0.366 32.6-143.2 -62.8 140.2 4.6 0.2 -15.2 86 86 A A S S+ 0 0 25 1,-0.2 -1,-0.2 -11,-0.1 -11,-0.0 0.783 103.8 49.1 -76.8 -23.8 4.8 1.7 -11.6 87 87 A E S S- 0 0 107 2,-0.1 -1,-0.2 1,-0.0 3,-0.2 0.789 95.8-145.7 -83.6 -27.8 8.6 1.9 -12.0 88 88 A E S S+ 0 0 138 1,-0.2 2,-0.2 3,-0.0 -2,-0.1 0.809 77.3 43.0 67.8 28.1 8.3 3.6 -15.4 89 89 A L + 0 0 105 2,-0.0 2,-2.2 3,-0.0 -1,-0.2 -0.480 56.5 103.4-161.0-125.5 11.5 1.8 -16.5 90 90 A V S S- 0 0 111 -3,-0.2 2,-0.3 -2,-0.2 0, 0.0 -0.370 81.0-113.2 63.8 -82.0 12.9 -1.8 -16.1 91 91 A G 0 0 41 -2,-2.2 -3,-0.0 1,-0.1 -2,-0.0 -0.817 360.0 360.0 158.3-113.5 12.1 -2.8 -19.8 92 92 A S 0 0 179 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.472 360.0 360.0-148.9 360.0 9.5 -5.3 -20.9