==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-OCT-09 3A7R . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.FUJIWARA,H.HOSAKA . 337 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 19.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 1 1 0 2 1 0 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 0 1 3 1 1 0 1 2 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 1 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 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 S 0 0 114 0, 0.0 214,-0.1 0, 0.0 212,-0.0 0.000 360.0 360.0 360.0 144.3 -38.8 -33.5 29.1 2 2 A T + 0 0 38 29,-0.1 30,-2.9 209,-0.1 2,-0.3 0.497 360.0 78.5 -95.9 -9.1 -38.4 -35.0 25.6 3 3 A L E -a 32 0A 8 28,-0.2 2,-0.4 211,-0.1 30,-0.2 -0.760 52.4-169.2-101.2 154.0 -34.9 -33.8 25.1 4 4 A R E -a 33 0A 52 28,-2.3 30,-2.7 -2,-0.3 2,-0.5 -0.997 5.5-163.8-138.3 133.6 -31.5 -35.0 26.2 5 5 A L E -a 34 0A 7 211,-0.5 213,-2.4 -2,-0.4 2,-0.4 -0.979 11.3-179.1-117.5 115.4 -28.3 -33.0 25.7 6 6 A L E -ab 35 218A 0 28,-3.2 30,-2.5 -2,-0.5 2,-0.5 -0.963 8.1-170.9-124.0 130.8 -25.0 -34.9 26.2 7 7 A I E -ab 36 219A 31 211,-2.6 213,-2.6 -2,-0.4 2,-0.4 -0.986 14.8-144.5-122.6 125.4 -21.5 -33.4 25.8 8 8 A S E - b 0 220A 7 28,-2.6 30,-0.2 -2,-0.5 213,-0.2 -0.708 15.5-171.2 -90.1 136.7 -18.4 -35.6 25.8 9 9 A D + 0 0 88 211,-3.2 2,-0.3 -2,-0.4 212,-0.2 0.395 62.0 99.8 -97.4 0.6 -15.2 -34.6 27.4 10 10 A S - 0 0 6 210,-0.4 28,-0.6 1,-0.1 -2,-0.1 -0.689 54.5-164.1 -82.8 146.9 -13.3 -37.6 25.9 11 11 A Y + 0 0 105 -2,-0.3 29,-2.4 28,-0.1 -1,-0.1 0.142 60.0 108.4-109.2 18.9 -11.2 -37.2 22.7 12 12 A D > - 0 0 30 27,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.849 57.9-156.5-101.4 115.8 -11.2 -41.0 22.1 13 13 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.843 94.7 54.8 -63.0 -29.0 -13.3 -42.0 19.1 14 14 A W H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 224,-0.1 0.916 111.8 43.5 -71.1 -42.3 -13.7 -45.5 20.5 15 15 A F H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 116.7 47.1 -61.9 -48.4 -15.1 -44.2 23.8 16 16 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.903 112.4 48.3 -69.5 -37.6 -17.3 -41.6 22.0 17 17 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.864 111.2 51.0 -67.0 -38.7 -18.7 -44.1 19.5 18 18 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.906 110.9 48.7 -64.5 -39.7 -19.4 -46.6 22.3 19 19 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.957 111.5 50.3 -59.8 -48.2 -21.2 -43.9 24.3 20 20 A E H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.934 112.7 46.5 -56.6 -47.0 -23.2 -43.0 21.1 21 21 A E H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.924 114.6 45.1 -65.0 -45.2 -24.2 -46.6 20.6 22 22 A C H X S+ 0 0 7 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.908 114.5 48.5 -66.8 -42.5 -25.2 -47.3 24.2 23 23 A I H X S+ 0 0 1 -4,-2.9 4,-1.2 -5,-0.2 3,-0.3 0.945 112.7 49.8 -58.6 -45.8 -27.2 -44.1 24.5 24 24 A F H < S+ 0 0 0 -4,-2.4 3,-0.5 -5,-0.3 -2,-0.2 0.912 110.5 48.3 -61.2 -45.8 -28.9 -44.9 21.2 25 25 A R H < S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 117.7 41.4 -64.1 -31.6 -29.9 -48.5 22.2 26 26 A Q H < S+ 0 0 90 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.574 83.6 126.7 -98.8 -6.1 -31.3 -47.3 25.5 27 27 A M < - 0 0 4 -4,-1.2 -3,-0.0 -3,-0.5 63,-0.0 -0.195 64.3-116.2 -60.1 129.7 -33.1 -44.2 24.3 28 28 A P > - 0 0 66 0, 0.0 3,-2.0 0, 0.0 63,-0.2 -0.359 29.3-109.3 -60.0 152.8 -36.8 -44.0 25.3 29 29 A A T 3 S+ 0 0 78 1,-0.3 62,-0.4 61,-0.1 -2,-0.1 0.736 115.2 42.3 -52.7 -37.4 -39.2 -44.0 22.3 30 30 A T T 3 S+ 0 0 107 60,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.386 93.2 108.0 -96.0 -2.4 -40.3 -40.4 22.7 31 31 A Q < - 0 0 29 -3,-2.0 60,-0.7 -28,-0.1 2,-0.4 -0.503 51.3-156.4 -79.4 150.2 -36.8 -38.9 23.4 32 32 A R E -aC 3 90A 47 -30,-2.9 -28,-2.3 -2,-0.2 2,-0.4 -0.998 16.7-159.8-119.8 130.7 -34.7 -36.7 21.1 33 33 A V E -aC 4 89A 0 56,-1.8 56,-2.1 -2,-0.4 2,-0.5 -0.885 14.7-168.8-113.3 134.9 -30.9 -36.7 21.9 34 34 A L E -aC 5 88A 0 -30,-2.7 -28,-3.2 -2,-0.4 2,-0.5 -0.995 11.2-175.6-114.7 125.1 -28.2 -34.3 20.9 35 35 A F E -aC 6 87A 1 52,-2.6 52,-2.4 -2,-0.5 2,-0.4 -0.984 4.8-165.7-119.9 125.7 -24.7 -35.6 21.6 36 36 A L E +aC 7 86A 0 -30,-2.5 -28,-2.6 -2,-0.5 2,-0.3 -0.954 22.7 149.1-118.4 130.0 -21.8 -33.2 21.0 37 37 A W E - C 0 85A 10 48,-2.0 48,-2.9 -2,-0.4 2,-0.3 -0.976 29.8-151.7-158.7 156.7 -18.2 -34.6 20.8 38 38 A R - 0 0 44 -28,-0.6 2,-0.4 -2,-0.3 46,-0.1 -0.989 10.3-150.6-133.9 156.0 -14.7 -34.3 19.3 39 39 A N - 0 0 0 41,-0.4 3,-0.3 -2,-0.3 44,-0.2 -0.969 14.3-132.5-127.6 134.5 -12.0 -36.8 18.6 40 40 A A S S- 0 0 39 -29,-2.4 26,-0.2 -2,-0.4 40,-0.2 -0.495 77.2 -21.0 -72.8 152.6 -8.2 -36.3 18.6 41 41 A D S S+ 0 0 50 -2,-0.1 25,-2.2 24,-0.1 2,-0.3 0.538 93.4 139.2 9.8 90.4 -6.2 -37.6 15.6 42 42 A T E -fG 66 79B 0 37,-2.4 37,-2.9 -3,-0.3 2,-0.5 -0.987 47.0-147.1-148.1 148.8 -8.5 -40.2 14.1 43 43 A V E -fG 67 78B 0 23,-2.8 25,-2.6 -2,-0.3 2,-0.5 -0.988 22.1-160.2-113.8 125.0 -9.8 -41.5 10.8 44 44 A V E -fG 68 77B 7 33,-2.6 33,-2.2 -2,-0.5 2,-0.3 -0.953 7.8-168.3-107.7 127.2 -13.3 -42.8 11.0 45 45 A I E -f 69 0B 0 23,-2.5 25,-2.6 -2,-0.5 30,-0.2 -0.803 25.4-100.4-113.7 157.7 -14.6 -45.1 8.3 46 46 A G > - 0 0 0 28,-0.5 3,-1.9 -2,-0.3 27,-0.2 -0.244 39.5-100.0 -75.9 164.6 -18.1 -46.3 7.5 47 47 A R T 3 S+ 0 0 90 25,-2.9 26,-0.1 1,-0.3 -1,-0.1 0.768 120.5 42.0 -55.2 -35.8 -19.4 -49.7 8.6 48 48 A A T 3 S+ 0 0 38 26,-0.2 129,-1.5 24,-0.2 -1,-0.3 0.022 92.7 119.3-103.4 21.4 -18.9 -51.3 5.2 49 49 A Q < - 0 0 0 -3,-1.9 129,-0.1 127,-0.2 127,-0.1 -0.600 59.9-134.8 -96.4 155.6 -15.4 -49.9 4.4 50 50 A N >> - 0 0 4 127,-0.4 4,-2.0 -2,-0.2 3,-0.5 -0.927 16.5-158.8-100.8 113.3 -12.0 -51.4 3.7 51 51 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 6,-0.2 0.861 88.8 55.4 -63.7 -40.0 -9.5 -49.3 5.7 52 52 A W H 34 S+ 0 0 9 1,-0.2 116,-0.2 2,-0.2 5,-0.1 0.790 115.2 40.7 -65.7 -29.6 -6.4 -50.3 3.7 53 53 A K H <4 S+ 0 0 82 -3,-0.5 -1,-0.2 1,-0.1 117,-0.1 0.807 119.7 43.6 -83.0 -30.9 -8.2 -49.0 0.5 54 54 A E H < S+ 0 0 24 -4,-2.0 2,-0.3 112,-0.1 -2,-0.2 0.594 118.9 17.4 -97.1 -17.8 -9.8 -45.9 2.0 55 55 A C S < S- 0 0 1 -4,-2.0 2,-1.7 -5,-0.2 110,-0.2 -0.965 83.1 -93.5-150.7 166.6 -7.0 -44.4 4.2 56 56 A N > + 0 0 1 108,-3.0 4,-2.5 -2,-0.3 5,-0.2 -0.608 43.1 173.5 -84.8 80.2 -3.3 -44.5 4.7 57 57 A T H > S+ 0 0 8 -2,-1.7 4,-2.0 -6,-0.2 -1,-0.2 0.808 75.8 55.7 -61.9 -28.4 -3.2 -47.1 7.4 58 58 A R H > S+ 0 0 67 279,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.961 109.7 42.6 -68.0 -52.9 0.6 -47.1 7.4 59 59 A R H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.899 113.4 54.6 -59.5 -41.9 1.0 -43.4 7.9 60 60 A M H <>S+ 0 0 4 -4,-2.5 5,-3.0 2,-0.2 4,-0.4 0.917 108.2 48.4 -56.8 -48.3 -1.7 -43.5 10.6 61 61 A E H ><5S+ 0 0 101 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.936 112.3 48.6 -61.3 -42.5 0.1 -46.3 12.5 62 62 A E H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 118.4 39.8 -60.1 -40.3 3.4 -44.4 12.3 63 63 A D T 3<5S- 0 0 69 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.261 112.5-114.0-100.2 9.8 1.8 -41.1 13.6 64 64 A N T < 5 + 0 0 144 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.889 57.6 159.8 54.2 43.2 -0.5 -42.7 16.2 65 65 A V < - 0 0 9 -5,-3.0 -23,-0.2 -6,-0.2 -1,-0.2 -0.885 37.6-128.7 -89.5 124.4 -3.6 -41.8 14.3 66 66 A R E -f 42 0B 100 -25,-2.2 -23,-2.8 -2,-0.6 2,-0.5 -0.450 10.5-143.3 -77.7 135.6 -6.5 -44.0 15.5 67 67 A L E -f 43 0B 7 -25,-0.2 2,-0.4 -2,-0.2 -23,-0.2 -0.890 21.5-178.5 -91.9 134.5 -8.7 -45.9 13.1 68 68 A A E -f 44 0B 0 -25,-2.6 -23,-2.5 -2,-0.5 2,-0.6 -0.993 17.2-153.3-133.5 125.9 -12.4 -46.2 14.1 69 69 A R E -f 45 0B 0 -2,-0.4 -23,-0.2 169,-0.3 2,-0.2 -0.873 19.4-153.9 -88.9 128.0 -15.1 -48.0 12.2 70 70 A R - 0 0 16 -25,-2.6 -56,-0.0 -2,-0.6 -53,-0.0 -0.492 21.1-121.9 -96.4 172.8 -18.5 -46.5 12.9 71 71 A S S S+ 0 0 22 -2,-0.2 -1,-0.1 -25,-0.1 -25,-0.1 0.672 87.3 80.8 -93.7 -14.3 -21.9 -48.3 12.7 72 72 A S S S- 0 0 2 1,-0.2 -25,-2.9 -27,-0.1 68,-0.2 -0.294 82.5-105.8 -81.0 173.3 -23.3 -45.9 10.2 73 73 A G + 0 0 37 66,-1.3 -1,-0.2 -27,-0.2 2,-0.1 0.093 66.7 64.7 -79.4-167.3 -22.7 -45.9 6.4 74 74 A G S S- 0 0 29 -28,-0.1 -28,-0.5 64,-0.1 -26,-0.2 -0.343 73.4 -43.5 88.0-165.2 -20.7 -43.7 4.2 75 75 A G - 0 0 17 -30,-0.2 2,-0.4 1,-0.1 103,-0.1 -0.235 57.0 -71.0-108.0-166.2 -17.0 -42.9 3.7 76 76 A A + 0 0 13 -31,-0.2 2,-0.3 -22,-0.1 -31,-0.2 -0.678 44.3 175.0 -98.7 128.2 -13.7 -42.1 5.5 77 77 A V E -G 44 0B 39 -33,-2.2 -33,-2.6 -2,-0.4 2,-0.4 -0.922 24.9-127.3-129.5 157.7 -13.1 -38.8 7.2 78 78 A F E -G 43 0B 2 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.856 22.2-165.9-108.8 135.6 -10.3 -37.3 9.4 79 79 A H E +G 42 0B 7 -37,-2.9 -37,-2.4 -2,-0.4 2,-0.2 -0.986 17.5 154.9-119.6 132.3 -10.9 -35.8 12.8 80 80 A D > - 0 0 18 -2,-0.4 3,-2.1 -39,-0.2 -41,-0.4 -0.703 66.0 -80.4-131.8-174.4 -8.7 -33.7 15.0 81 81 A L T 3 S+ 0 0 70 1,-0.3 115,-0.1 -2,-0.2 75,-0.1 0.683 127.4 68.0 -62.3 -16.3 -9.6 -31.2 17.7 82 82 A G T 3 S+ 0 0 15 73,-0.2 72,-2.6 72,-0.1 73,-2.0 0.392 91.1 77.9 -76.6 0.3 -10.4 -28.7 14.9 83 83 A N E < - D 0 153A 1 -3,-2.1 2,-0.4 -44,-0.2 -44,-0.3 -0.937 67.5-159.1-111.8 137.1 -13.3 -31.0 13.9 84 84 A T E - D 0 152A 0 68,-2.6 68,-1.9 -2,-0.4 2,-0.4 -0.932 6.0-157.3-117.2 136.3 -16.6 -31.0 15.8 85 85 A C E -CD 37 151A 3 -48,-2.9 -48,-2.0 -2,-0.4 2,-0.4 -0.911 6.9-171.4-109.3 150.3 -19.1 -33.8 15.7 86 86 A F E -CD 36 150A 1 64,-2.2 64,-2.1 -2,-0.4 2,-0.4 -0.980 4.8-164.7-131.9 149.2 -22.8 -33.9 16.4 87 87 A T E -CD 35 149A 0 -52,-2.4 -52,-2.6 -2,-0.4 2,-0.5 -0.997 2.1-169.4-128.9 130.9 -25.2 -36.8 16.8 88 88 A F E -CD 34 148A 10 60,-2.9 60,-2.4 -2,-0.4 2,-0.3 -0.977 10.6-175.7-113.7 125.5 -29.0 -36.3 16.7 89 89 A M E +CD 33 147A 4 -56,-2.1 -56,-1.8 -2,-0.5 2,-0.3 -0.911 8.7 160.6-118.8 150.0 -31.2 -39.4 17.6 90 90 A A E -CD 32 146A 6 56,-2.3 56,-2.6 -2,-0.3 -58,-0.2 -0.975 36.1-104.3-158.8 157.5 -34.9 -39.8 17.6 91 91 A G E > - 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