==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-SEP-00 1FVI . COMPND 2 MOLECULE: CHLORELLA VIRUS DNA LIGASE-ADENYLATE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLORELLA VIRUS; . AUTHOR M.ODELL,V.SRISKANDA,S.SHUMAN,D.B.NIKOLOV . 264 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 3 2 2 2 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 2 0 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 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 A A 0 0 84 0, 0.0 2,-0.5 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 146.7 31.3 -9.6 62.0 2 3 A I - 0 0 4 1,-0.1 60,-0.1 99,-0.0 31,-0.0 -0.954 360.0-178.6-119.6 124.1 33.3 -6.9 60.2 3 4 A T S S- 0 0 87 -2,-0.5 -1,-0.1 1,-0.4 167,-0.0 0.741 75.5 -15.9 -91.9 -26.5 35.9 -7.7 57.5 4 5 A K S S- 0 0 112 167,-0.1 -1,-0.4 165,-0.0 167,-0.2 -0.912 86.4 -79.5-169.4 151.5 37.0 -4.1 56.7 5 6 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 166,-0.2 -0.108 41.4-107.5 -65.0 156.9 35.5 -0.7 57.5 6 7 A L - 0 0 0 164,-0.2 2,-0.3 166,-0.1 166,-0.2 -0.714 41.2-163.6 -78.7 126.2 32.8 1.1 55.7 7 8 A L B -a 172 0A 27 164,-2.1 166,-2.7 -2,-0.5 2,-0.3 -0.754 10.6-117.4-113.6 162.2 34.2 4.0 53.6 8 9 A A - 0 0 10 -2,-0.3 173,-0.3 164,-0.2 2,-0.2 -0.705 6.3-139.7-104.6 150.3 32.5 7.0 52.0 9 10 A A E -b 181 0B 13 171,-2.1 173,-2.6 -2,-0.3 2,-0.4 -0.623 38.6-103.7 -92.3 160.1 32.1 8.3 48.5 10 11 A T E -b 182 0B 71 -2,-0.2 2,-0.7 171,-0.2 173,-0.2 -0.763 20.9-143.2 -93.2 133.3 32.5 12.0 48.0 11 12 A L + 0 0 4 171,-2.8 173,-0.5 -2,-0.4 3,-0.1 -0.865 30.3 162.4 -92.6 113.6 29.4 14.2 47.5 12 13 A E + 0 0 136 -2,-0.7 2,-0.7 1,-0.3 -1,-0.2 0.805 66.4 47.0 -99.1 -44.5 30.3 16.9 45.0 13 14 A N > - 0 0 75 1,-0.1 3,-2.5 2,-0.0 4,-0.3 -0.890 68.5-156.6-104.2 112.8 26.9 18.1 43.9 14 15 A I G > S+ 0 0 13 -2,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.770 93.0 68.0 -57.4 -24.6 24.6 18.7 46.9 15 16 A E G 3 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.1 126,-0.0 0.624 86.5 71.0 -73.4 -6.2 21.6 18.2 44.5 16 17 A D G < S+ 0 0 71 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.670 72.2 111.8 -80.1 -18.1 22.7 14.6 44.3 17 18 A V < - 0 0 11 -3,-1.4 2,-0.9 -4,-0.3 124,-0.1 -0.362 69.7-133.9 -64.9 125.8 21.6 13.8 47.9 18 19 A Q - 0 0 157 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.753 34.1-135.7 -78.7 113.0 18.6 11.5 48.2 19 20 A F S S+ 0 0 36 -2,-0.9 2,-1.8 120,-0.1 119,-0.2 0.664 86.1 69.7 -53.5 -55.1 16.7 13.6 50.7 20 21 A P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 119,-0.2 -0.676 82.8 152.3 -66.7 99.4 15.2 11.8 53.5 21 22 A C E -C 138 0B 2 117,-2.0 117,-2.8 -2,-1.8 2,-0.6 -0.932 47.6-126.3-129.2 157.7 18.8 11.2 54.8 22 23 A L E -CD 137 162B 16 140,-2.9 140,-1.6 -2,-0.3 2,-0.3 -0.918 30.1-166.1-107.9 115.5 20.6 10.7 58.1 23 24 A A E +CD 136 161B 0 113,-3.1 113,-2.6 -2,-0.6 138,-0.2 -0.690 14.5 172.7-109.5 151.9 23.5 12.9 58.9 24 25 A T E - D 0 160B 6 136,-2.2 136,-3.0 -2,-0.3 2,-0.2 -0.888 42.2 -83.6-141.0 166.0 26.4 13.0 61.4 25 26 A P E - D 0 159B 11 0, 0.0 2,-0.8 0, 0.0 134,-0.3 -0.574 37.7-117.7 -79.1 139.3 29.5 15.2 61.8 26 27 A K - 0 0 37 132,-3.2 131,-2.5 -2,-0.2 132,-0.5 -0.665 37.5-152.4 -74.9 108.7 32.6 14.5 59.9 27 28 A I - 0 0 20 -2,-0.8 2,-1.0 129,-0.2 129,-0.1 -0.719 13.2-144.0 -90.8 135.4 35.2 13.7 62.7 28 29 A A + 0 0 46 -2,-0.4 2,-0.3 38,-0.1 38,-0.0 -0.859 64.1 90.4 -93.1 100.3 38.9 14.3 62.3 29 30 A G S S- 0 0 16 -2,-1.0 2,-0.7 39,-0.1 39,-0.2 -0.889 81.7 -53.0-165.2-159.4 40.2 11.4 64.3 30 31 A I E -F 67 0C 17 37,-2.6 37,-3.3 -2,-0.3 2,-0.2 -0.907 48.0-133.1-106.6 111.5 41.3 7.8 64.4 31 32 A R E +F 66 0C 25 -2,-0.7 10,-0.4 35,-0.2 2,-0.4 -0.464 33.8 178.7 -60.6 128.0 38.9 5.3 62.9 32 33 A S E -F 65 0C 0 33,-2.7 33,-1.4 -2,-0.2 2,-0.4 -0.987 16.6-167.6-144.3 130.7 38.5 2.4 65.3 33 34 A V E -FG 64 39C 0 6,-1.8 6,-2.7 -2,-0.4 2,-0.8 -0.934 22.8-128.8-118.3 140.1 36.4 -0.7 65.2 34 35 A K E + G 0 38C 19 29,-2.9 28,-2.8 -2,-0.4 29,-0.3 -0.792 44.7 147.5 -89.1 106.5 35.7 -3.1 68.1 35 36 A Q S S- 0 0 36 2,-2.5 2,-1.8 -2,-0.8 -2,-0.1 -0.760 88.3 -44.2-144.1 89.2 36.5 -6.6 66.9 36 37 A T S S+ 0 0 121 -2,-0.3 2,-0.3 20,-0.1 -2,-0.1 -0.276 139.1 4.7 80.3 -46.4 37.9 -8.8 69.8 37 38 A Q S S- 0 0 80 -2,-1.8 -2,-2.5 -4,-0.1 2,-0.4 -0.872 108.0 -64.7-148.6 174.8 40.0 -5.7 70.6 38 39 A M E -G 34 0C 0 -2,-0.3 8,-2.6 -4,-0.2 2,-0.3 -0.586 54.8-172.1 -75.5 124.6 40.2 -2.1 69.2 39 40 A L E -GH 33 45C 14 -6,-2.7 -6,-1.8 -2,-0.4 2,-0.1 -0.817 15.2-135.0-114.0 153.4 41.4 -2.1 65.5 40 41 A S > - 0 0 9 4,-2.4 3,-1.5 -2,-0.3 -8,-0.2 -0.236 46.1 -81.1 -92.4-170.5 42.4 0.8 63.3 41 42 A R T 3 S+ 0 0 134 -10,-0.4 -9,-0.1 1,-0.3 -1,-0.0 0.773 134.1 53.7 -65.9 -27.8 41.3 1.2 59.6 42 43 A T T 3 S- 0 0 93 2,-0.1 -1,-0.3 -38,-0.1 0, 0.0 0.363 117.4-120.1 -83.4 0.8 44.0 -1.2 58.4 43 44 A F S < S+ 0 0 37 -3,-1.5 -2,-0.1 1,-0.3 3,-0.1 0.656 71.2 131.6 67.4 20.8 42.4 -3.6 61.0 44 45 A K - 0 0 137 1,-0.1 -4,-2.4 0, 0.0 -1,-0.3 -0.706 69.5 -84.5 -96.3 147.6 45.7 -3.9 63.0 45 46 A P B -H 39 0C 63 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.217 48.6 -95.8 -56.6 146.4 45.3 -3.4 66.7 46 47 A I - 0 0 5 -8,-2.6 6,-0.1 1,-0.1 36,-0.1 -0.483 30.3-140.4 -61.3 125.6 45.4 0.1 68.3 47 48 A R S S+ 0 0 147 34,-0.3 2,-1.2 -2,-0.2 35,-0.2 0.797 84.6 81.7 -60.7 -36.7 49.0 0.8 69.4 48 49 A N > - 0 0 14 33,-1.8 4,-2.7 36,-0.2 3,-0.2 -0.649 66.6-165.4 -76.8 100.6 47.9 2.6 72.6 49 50 A S H > S+ 0 0 79 36,-1.5 4,-2.8 -2,-1.2 5,-0.2 0.756 83.7 52.7 -57.8 -35.7 47.3 -0.4 74.9 50 51 A V H > S+ 0 0 54 35,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.914 113.0 44.7 -68.2 -44.3 45.4 1.5 77.6 51 52 A M H > S+ 0 0 6 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.935 114.4 50.5 -62.8 -47.5 43.0 3.0 75.0 52 53 A N H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.970 114.9 41.6 -55.1 -56.0 42.7 -0.4 73.4 53 54 A R H X S+ 0 0 116 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.926 115.5 49.4 -59.3 -52.4 41.9 -2.2 76.7 54 55 A L H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.934 115.4 42.3 -53.3 -55.4 39.6 0.6 78.1 55 56 A L H X S+ 0 0 0 -4,-2.7 4,-3.5 -5,-0.2 -1,-0.2 0.877 111.9 54.7 -63.2 -37.6 37.5 0.8 74.9 56 57 A T H < S+ 0 0 33 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.868 110.8 46.6 -64.7 -33.7 37.4 -3.1 74.5 57 58 A E H < S+ 0 0 130 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.885 120.1 40.3 -72.4 -37.7 36.0 -3.3 78.0 58 59 A L H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.888 105.5 67.3 -79.3 -43.9 33.4 -0.5 77.3 59 60 A L S < S- 0 0 3 -4,-3.5 2,-0.1 -5,-0.2 3,-0.1 -0.562 77.4-121.7 -90.9 145.5 32.2 -1.2 73.8 60 61 A P > - 0 0 10 0, 0.0 3,-1.3 0, 0.0 -26,-0.2 -0.459 46.8 -84.8 -77.6 151.9 30.2 -4.2 72.5 61 62 A E T 3 S+ 0 0 85 1,-0.2 37,-0.5 -2,-0.1 -26,-0.2 -0.307 116.9 35.8 -54.5 133.9 31.7 -6.3 69.8 62 63 A G T 3 S+ 0 0 5 -28,-2.8 35,-2.4 1,-0.3 -1,-0.2 0.496 80.4 150.9 97.7 3.3 30.9 -4.8 66.4 63 64 A S E < - I 0 96C 0 -3,-1.3 -29,-2.9 -29,-0.3 2,-0.4 -0.462 24.9-166.5 -71.2 140.1 31.3 -1.1 67.4 64 65 A D E +FI 33 95C 0 31,-2.9 31,-2.1 -31,-0.2 30,-1.3 -0.979 28.5 100.7-128.9 140.1 32.4 1.4 64.8 65 66 A G E -FI 32 93C 0 -33,-1.4 -33,-2.7 -2,-0.4 2,-0.4 -0.972 57.0 -69.4 177.4-163.7 33.6 4.9 65.5 66 67 A E E -FI 31 92C 25 26,-2.5 26,-3.0 -2,-0.3 2,-0.3 -0.982 25.1-148.2-129.4 131.3 36.3 7.6 65.9 67 68 A I E +FI 30 91C 0 -37,-3.3 -37,-2.6 -2,-0.4 2,-0.3 -0.731 31.8 155.8 -93.5 142.0 38.9 8.1 68.7 68 69 A S E - I 0 90C 10 22,-1.8 22,-2.8 -2,-0.3 2,-0.8 -0.950 46.0-125.6-165.7 145.1 39.9 11.7 69.4 69 70 A I > - 0 0 38 -2,-0.3 3,-2.0 20,-0.2 8,-0.2 -0.891 40.2-130.1 -95.2 107.3 41.3 13.9 72.2 70 71 A E T 3 S+ 0 0 82 -2,-0.8 -1,-0.1 1,-0.3 19,-0.0 0.713 90.6 16.9 -23.6 -74.7 38.6 16.7 72.4 71 72 A G T 3 S+ 0 0 88 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.156 106.2 100.6 -98.5 21.3 40.4 20.0 72.3 72 73 A A S < S- 0 0 39 -3,-2.0 2,-0.1 1,-0.1 -3,-0.0 -0.491 76.7 -95.4 -98.5 171.5 43.7 18.7 70.9 73 74 A T >> - 0 0 69 -2,-0.2 4,-2.4 1,-0.1 3,-0.6 -0.428 32.6-111.2 -82.8 161.9 45.2 18.8 67.4 74 75 A F H 3> S+ 0 0 112 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.841 118.9 54.6 -60.1 -36.4 44.9 15.9 64.9 75 76 A Q H 3> S+ 0 0 149 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.784 108.5 49.1 -69.7 -26.4 48.6 15.3 65.2 76 77 A D H <> S+ 0 0 79 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.956 112.3 46.6 -75.3 -50.5 48.4 15.0 69.0 77 78 A T H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.926 110.6 55.4 -54.2 -48.2 45.4 12.6 68.8 78 79 A T H X S+ 0 0 44 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.870 110.3 43.5 -54.4 -44.1 47.3 10.6 66.1 79 80 A S H X S+ 0 0 54 -4,-1.4 4,-0.8 -3,-0.2 -1,-0.2 0.785 113.0 51.6 -75.7 -29.8 50.4 10.1 68.3 80 81 A A H < S+ 0 0 18 -4,-2.0 5,-0.3 -3,-0.2 -2,-0.2 0.935 120.9 33.0 -71.7 -44.0 48.4 9.2 71.4 81 82 A V H < S+ 0 0 0 -4,-2.6 -33,-1.8 -5,-0.2 -34,-0.3 0.905 124.5 43.2 -76.1 -45.4 46.3 6.6 69.7 82 83 A M H < S+ 0 0 70 -4,-2.5 2,-0.5 -5,-0.4 -3,-0.2 0.469 94.4 86.8 -86.1 -3.6 49.0 5.3 67.2 83 84 A T S < S- 0 0 67 -4,-0.8 2,-2.8 -5,-0.1 -37,-0.0 -0.849 87.0-116.4 -99.7 134.9 52.0 5.2 69.5 84 85 A G 0 0 37 -2,-0.5 -36,-0.2 -36,-0.2 -2,-0.1 -0.285 360.0 360.0 -67.9 61.8 52.4 1.9 71.5 85 86 A H 0 0 121 -2,-2.8 -36,-1.5 -5,-0.3 -35,-0.3 -0.312 360.0 360.0 -64.9 360.0 51.9 3.4 75.0 86 ! 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 87 91 A A 0 0 111 0, 0.0 2,-0.1 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 147.8 45.0 11.4 79.5 88 92 A K + 0 0 149 40,-0.1 2,-0.3 38,-0.0 40,-0.2 -0.411 360.0 167.5 -75.4 148.6 41.4 11.8 78.9 89 93 A F E - j 0 128C 6 38,-2.1 40,-2.8 -20,-0.1 2,-0.3 -0.958 22.8-128.8-153.7 168.8 40.0 11.0 75.4 90 94 A S E -Ij 68 129C 3 -22,-2.8 -22,-1.8 -2,-0.3 2,-0.4 -0.790 2.9-153.6-124.2 165.1 36.8 10.4 73.6 91 95 A Y E -Ij 67 130C 0 38,-2.7 40,-3.1 -2,-0.3 2,-0.9 -0.921 9.8-152.6-141.6 109.7 35.2 7.9 71.3 92 96 A Y E -Ij 66 131C 23 -26,-3.0 -26,-2.5 -2,-0.4 2,-0.9 -0.804 16.1-156.3 -84.5 108.1 32.5 8.9 68.9 93 97 A W E +Ij 65 132C 3 38,-2.3 40,-2.8 -2,-0.9 -28,-0.3 -0.801 27.3 158.8 -91.5 104.7 30.5 5.7 68.4 94 98 A F E + 0 0 22 -30,-1.3 2,-0.3 -2,-0.9 -29,-0.2 0.566 55.9 29.0-106.1 -10.1 28.7 6.0 65.1 95 99 A D E -I 64 0C 0 -31,-2.1 -31,-2.9 39,-0.0 2,-0.3 -0.984 47.7-170.9-149.4 161.0 27.9 2.3 64.2 96 100 A Y E -I 63 0C 26 -2,-0.3 -33,-0.2 -33,-0.3 3,-0.2 -0.855 2.8-175.5-153.8 108.9 27.2 -1.1 65.6 97 101 A V + 0 0 1 -35,-2.4 2,-2.7 -2,-0.3 -35,-0.1 0.925 9.5 176.6 -77.8 -41.1 27.0 -4.3 63.5 98 102 A T S S- 0 0 69 -37,-0.5 -1,-0.2 1,-0.2 -35,-0.1 -0.400 73.0 -42.5 72.9 -67.4 26.0 -6.8 66.3 99 103 A D S S+ 0 0 114 -2,-2.7 -1,-0.2 1,-0.2 -2,-0.1 0.141 123.1 57.8-151.0 -81.0 25.7 -9.6 63.7 100 104 A D > - 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