==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 20-SEP-09 3A7A . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.FUJIWARA,H.HOSAKA,A.NAKAGAWA . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 668 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 22.3 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 70 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 207 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 7 1 2 3 4 2 0 0 1 2 3 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 3 6 5 5 6 4 2 2 3 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 1 2 0 2 0 1 0 0 1 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 0 120 0, 0.0 212,-0.0 0, 0.0 214,-0.0 0.000 360.0 360.0 360.0 60.9 -23.1 -43.9 15.1 2 2 A T + 0 0 52 29,-0.1 30,-1.6 2,-0.0 2,-0.3 0.385 360.0 92.2-104.5 0.7 -21.6 -40.5 14.1 3 3 A L E -a 32 0A 6 28,-0.2 2,-0.4 211,-0.2 30,-0.2 -0.733 58.5-162.1 -89.8 145.0 -21.8 -38.9 17.6 4 4 A R E -a 33 0A 49 28,-2.2 30,-2.5 -2,-0.3 2,-0.5 -0.993 5.8-159.0-131.0 141.9 -18.7 -39.1 19.8 5 5 A L E -a 34 0A 7 211,-0.4 213,-2.6 -2,-0.4 2,-0.5 -0.955 11.1-177.1-125.0 114.3 -18.5 -38.6 23.6 6 6 A L E -ab 35 218A 3 28,-2.7 30,-2.6 -2,-0.5 2,-0.5 -0.940 5.5-171.9-118.6 130.2 -15.2 -37.8 25.3 7 7 A I E -ab 36 219A 29 211,-2.7 213,-2.9 -2,-0.5 2,-0.6 -0.969 10.6-153.2-122.8 118.9 -14.6 -37.4 29.0 8 8 A S E - b 0 220A 7 28,-2.4 30,-0.3 -2,-0.5 213,-0.1 -0.807 9.7-172.4 -93.0 120.6 -11.3 -36.1 30.4 9 9 A D + 0 0 82 211,-2.0 2,-0.3 -2,-0.6 -1,-0.1 0.196 61.4 98.0 -92.6 14.8 -10.5 -37.3 33.9 10 10 A S - 0 0 9 210,-0.2 28,-0.6 211,-0.1 -2,-0.1 -0.805 56.0-164.1-102.2 146.0 -7.5 -35.0 33.9 11 11 A Y + 0 0 106 -2,-0.3 29,-1.8 28,-0.1 -1,-0.1 0.226 55.1 115.9-111.0 10.2 -7.5 -31.5 35.5 12 12 A D > - 0 0 41 27,-0.2 4,-3.5 1,-0.2 5,-0.2 -0.733 54.1-157.1 -80.5 115.2 -4.4 -30.3 33.7 13 13 A P H > S+ 0 0 3 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.885 94.7 51.1 -62.4 -39.0 -5.5 -27.4 31.5 14 14 A W H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.939 113.4 45.4 -60.8 -49.3 -2.5 -27.9 29.2 15 15 A F H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.968 116.6 45.7 -52.8 -56.4 -3.3 -31.6 29.0 16 16 A N H X S+ 0 0 0 -4,-3.5 4,-2.0 1,-0.2 -2,-0.2 0.815 112.5 49.1 -63.0 -35.5 -7.0 -30.8 28.4 17 17 A L H X S+ 0 0 6 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.842 109.8 52.7 -73.9 -33.1 -6.3 -28.1 25.8 18 18 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.940 110.4 48.3 -63.5 -46.2 -4.0 -30.4 23.9 19 19 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.910 106.8 56.1 -61.4 -45.2 -6.6 -33.1 23.8 20 20 A E H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.944 111.1 42.5 -53.4 -53.7 -9.3 -30.7 22.6 21 21 A E H X S+ 0 0 46 -4,-1.7 4,-3.5 2,-0.2 5,-0.2 0.939 112.0 53.4 -60.7 -51.5 -7.3 -29.6 19.5 22 22 A C H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.958 112.5 43.5 -48.7 -63.2 -6.1 -33.0 18.6 23 23 A I H < S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.934 114.9 52.8 -43.1 -54.0 -9.6 -34.5 18.5 24 24 A F H >< S+ 0 0 1 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.893 113.7 40.4 -52.6 -50.2 -10.7 -31.4 16.7 25 25 A R H 3< S+ 0 0 113 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.976 119.7 41.9 -66.6 -55.7 -8.1 -31.6 14.0 26 26 A Q T 3< S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.255 88.2 132.4 -78.1 15.0 -8.2 -35.4 13.4 27 27 A M < - 0 0 2 -3,-0.7 -3,-0.1 -4,-0.3 -4,-0.0 -0.523 62.7-111.4 -75.4 128.2 -12.0 -35.4 13.6 28 28 A P > - 0 0 55 0, 0.0 3,-0.8 0, 0.0 63,-0.1 -0.044 28.4-112.0 -49.4 159.6 -13.9 -37.2 10.9 29 29 A A T 3 S+ 0 0 79 1,-0.2 62,-0.1 61,-0.1 -2,-0.1 0.710 109.4 39.4 -74.6 -22.5 -15.9 -35.1 8.5 30 30 A T T 3 S+ 0 0 100 60,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.049 90.6 110.6-121.1 26.5 -19.4 -36.2 9.6 31 31 A Q < - 0 0 33 -3,-0.8 60,-1.0 -28,-0.0 2,-0.4 -0.458 52.6-148.5 -92.8 168.5 -19.1 -36.5 13.3 32 32 A R E -aC 3 90A 31 -30,-1.6 -28,-2.2 58,-0.2 2,-0.5 -0.943 24.5-160.0-133.6 115.3 -20.6 -34.4 16.1 33 33 A V E -aC 4 89A 1 56,-3.5 56,-4.0 -2,-0.4 2,-0.5 -0.856 13.4-169.7-110.6 126.7 -18.3 -34.3 19.1 34 34 A L E -aC 5 88A 0 -30,-2.5 -28,-2.7 -2,-0.5 2,-0.5 -0.953 8.4-169.5-112.2 126.1 -19.1 -33.5 22.8 35 35 A F E -aC 6 87A 2 52,-2.8 52,-2.3 -2,-0.5 2,-0.5 -0.957 2.7-167.8-121.7 119.5 -16.1 -33.1 25.2 36 36 A L E +aC 7 86A 0 -30,-2.6 -28,-2.4 -2,-0.5 2,-0.3 -0.912 28.7 126.4-110.1 130.7 -16.6 -32.8 28.9 37 37 A W E - C 0 85A 9 48,-1.8 48,-2.8 -2,-0.5 2,-0.3 -0.982 31.8-156.5-168.3 163.9 -13.7 -31.7 31.2 38 38 A R - 0 0 35 -28,-0.6 2,-0.4 -30,-0.3 46,-0.1 -0.974 14.3-131.1-150.7 166.9 -12.6 -29.3 33.9 39 39 A N - 0 0 0 41,-0.5 3,-0.3 44,-0.3 44,-0.2 -0.962 17.1-123.7-128.2 135.3 -9.4 -27.8 35.1 40 40 A A S S- 0 0 40 -29,-1.8 26,-0.3 -2,-0.4 40,-0.2 -0.489 81.5 -27.8 -71.8 141.7 -7.9 -27.4 38.6 41 41 A D S S+ 0 0 57 -2,-0.2 25,-1.8 24,-0.1 2,-0.3 0.639 96.4 145.1 11.9 92.0 -7.0 -23.8 39.7 42 42 A T E -lM 66 79B 1 37,-2.4 37,-3.2 -3,-0.3 2,-0.5 -0.984 47.9-143.2-147.4 152.5 -6.3 -22.3 36.3 43 43 A V E -lM 67 78B 0 23,-3.1 25,-2.4 -2,-0.3 2,-0.5 -0.985 22.5-164.0-117.8 119.8 -6.6 -19.1 34.3 44 44 A V E -lM 68 77B 8 33,-2.6 33,-2.4 -2,-0.5 2,-0.3 -0.901 7.8-172.4-108.5 126.8 -7.5 -19.7 30.7 45 45 A I E -l 69 0B 0 23,-1.8 25,-3.4 -2,-0.5 31,-0.2 -0.825 22.6-106.1-120.3 157.2 -7.0 -16.9 28.1 46 46 A G > - 0 0 0 28,-0.7 3,-1.5 -2,-0.3 27,-0.3 -0.209 43.8 -89.7 -76.5 168.2 -7.9 -16.4 24.4 47 47 A R T 3 S+ 0 0 24 25,-2.9 2,-0.3 1,-0.3 26,-0.1 0.869 121.3 34.8 -39.9 -59.0 -5.5 -16.4 21.5 48 48 A A T 3 S+ 0 0 3 26,-0.1 129,-1.8 200,-0.1 2,-0.4 -0.210 89.0 125.1-103.2 42.3 -4.6 -12.7 21.5 49 49 A Q < - 0 0 0 -3,-1.5 129,-0.1 -2,-0.3 3,-0.1 -0.840 57.8-132.0-108.3 139.1 -4.6 -11.8 25.1 50 50 A N >> - 0 0 4 -2,-0.4 4,-1.9 127,-0.3 3,-0.9 -0.765 17.5-162.2 -82.5 110.0 -1.9 -10.3 27.2 51 51 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 6,-0.3 0.923 87.6 55.7 -61.9 -44.9 -1.7 -12.4 30.3 52 52 A W H 34 S+ 0 0 11 1,-0.2 118,-0.2 2,-0.2 116,-0.2 0.684 116.4 39.2 -62.2 -17.4 0.2 -9.9 32.4 53 53 A K H <4 S+ 0 0 71 -3,-0.9 -1,-0.2 114,-0.1 3,-0.1 0.712 116.8 46.2-102.1 -27.0 -2.6 -7.4 31.7 54 54 A E H < S+ 0 0 20 -4,-1.9 2,-0.3 -3,-0.2 -2,-0.2 0.603 119.0 19.7 -98.0 -14.8 -5.7 -9.6 31.9 55 55 A C S < S- 0 0 1 -4,-1.9 2,-1.7 -5,-0.2 113,-0.3 -0.955 86.1 -93.7-149.3 167.6 -4.9 -11.5 35.1 56 56 A N > + 0 0 1 108,-4.0 4,-3.4 -2,-0.3 5,-0.2 -0.555 41.5 175.7 -87.4 77.8 -2.7 -11.3 38.3 57 57 A T H > S+ 0 0 10 -2,-1.7 4,-1.7 -6,-0.3 -1,-0.2 0.750 77.0 55.4 -55.5 -28.3 0.2 -13.4 37.0 58 58 A R H > S+ 0 0 71 279,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.954 112.6 39.3 -70.6 -51.9 2.1 -12.6 40.3 59 59 A R H > S+ 0 0 68 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.952 114.2 57.0 -58.9 -48.2 -0.6 -14.0 42.5 60 60 A M H <>S+ 0 0 6 -4,-3.4 5,-3.3 1,-0.2 -1,-0.2 0.867 110.4 43.9 -48.1 -42.4 -1.1 -16.8 40.0 61 61 A E H ><5S+ 0 0 110 -4,-1.7 3,-1.4 -5,-0.2 -1,-0.2 0.876 108.0 56.8 -74.8 -38.6 2.5 -17.7 40.4 62 62 A E H 3<5S+ 0 0 129 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.758 118.0 34.2 -63.9 -27.0 2.6 -17.5 44.2 63 63 A D T 3<5S- 0 0 67 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.089 110.5-119.0-113.9 21.0 -0.2 -20.0 44.4 64 64 A N T < 5 + 0 0 143 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.864 50.6 167.5 30.8 54.3 0.8 -22.1 41.4 65 65 A V < - 0 0 8 -5,-3.3 -23,-0.2 -6,-0.2 -1,-0.2 -0.851 37.2-119.4 -87.3 122.7 -2.4 -21.3 39.6 66 66 A R E -l 42 0B 92 -25,-1.8 -23,-3.1 -2,-0.6 2,-0.4 -0.292 18.8-148.8 -71.2 144.0 -1.8 -22.5 36.1 67 67 A L E +l 43 0B 8 -25,-0.2 2,-0.4 -23,-0.0 -23,-0.2 -0.947 18.7 176.9-109.0 134.8 -2.0 -20.2 33.0 68 68 A A E -l 44 0B 0 -25,-2.4 -23,-1.8 -2,-0.4 2,-0.4 -0.936 20.0-149.2-143.3 117.1 -3.1 -21.6 29.7 69 69 A R E -l 45 0B 0 -2,-0.4 2,-0.2 169,-0.3 -23,-0.2 -0.683 23.2-147.1 -81.4 133.7 -3.7 -19.8 26.4 70 70 A R - 0 0 14 -25,-3.4 -1,-0.0 -2,-0.4 -53,-0.0 -0.628 19.4-122.0-103.2 161.2 -6.4 -21.4 24.3 71 71 A S S S+ 0 0 14 -2,-0.2 -1,-0.1 -25,-0.1 -25,-0.1 0.788 92.7 73.3 -70.6 -29.2 -6.7 -21.6 20.5 72 72 A S S S- 0 0 0 1,-0.1 -25,-2.9 -27,-0.1 -2,-0.2 -0.142 84.2-115.8 -75.7 178.3 -10.1 -19.8 20.5 73 73 A G + 0 0 4 66,-0.7 -1,-0.1 -27,-0.3 330,-0.1 -0.009 59.6 86.9 -94.6-155.7 -10.5 -16.1 21.1 74 74 A G S S- 0 0 21 -28,-0.1 -28,-0.7 64,-0.1 103,-0.1 -0.252 71.1 -52.1 94.6-179.6 -12.3 -14.3 23.9 75 75 A G - 0 0 23 -30,-0.1 2,-0.4 1,-0.1 104,-0.1 -0.098 62.0 -73.5 -90.2-173.5 -11.4 -13.0 27.4 76 76 A A + 0 0 10 -31,-0.2 2,-0.3 -22,-0.1 -31,-0.2 -0.690 47.2 179.0 -89.4 129.3 -9.8 -14.5 30.5 77 77 A V E -M 44 0B 41 -33,-2.4 -33,-2.6 -2,-0.4 2,-0.4 -0.905 22.7-123.8-127.5 158.3 -11.8 -16.9 32.7 78 78 A F E -M 43 0B 4 -2,-0.3 2,-0.4 -35,-0.2 -35,-0.2 -0.822 21.7-164.4-108.0 140.3 -11.0 -18.8 35.9 79 79 A H E +M 42 0B 7 -37,-3.2 -37,-2.4 -2,-0.4 2,-0.2 -0.974 20.2 147.7-129.9 121.4 -11.2 -22.6 36.3 80 80 A D > - 0 0 15 -2,-0.4 3,-2.1 -39,-0.2 -41,-0.5 -0.687 69.3 -79.4-125.3-168.0 -11.3 -24.8 39.4 81 81 A L T 3 S+ 0 0 74 1,-0.3 -41,-0.1 -2,-0.2 74,-0.1 0.638 129.1 67.0 -69.8 -9.1 -13.1 -28.1 40.0 82 82 A G T 3 S+ 0 0 12 -43,-0.1 72,-1.7 72,-0.1 73,-1.1 0.545 89.7 80.1 -83.4 -8.3 -16.1 -26.0 40.6 83 83 A N E < - D 0 153A 1 -3,-2.1 2,-0.5 -44,-0.2 -44,-0.3 -0.893 67.8-158.1-104.0 126.2 -16.0 -25.0 36.9 84 84 A T E - D 0 152A 0 68,-2.2 68,-2.5 -2,-0.5 2,-0.3 -0.895 7.8-156.3-104.9 128.1 -17.4 -27.4 34.3 85 85 A C E -CD 37 151A 3 -48,-2.8 -48,-1.8 -2,-0.5 2,-0.4 -0.797 8.8-173.1-104.3 146.4 -16.2 -27.1 30.7 86 86 A F E -CD 36 150A 1 64,-2.1 64,-2.2 -2,-0.3 2,-0.5 -0.998 4.8-167.9-138.8 133.8 -18.0 -28.3 27.6 87 87 A T E -CD 35 149A 0 -52,-2.3 -52,-2.8 -2,-0.4 2,-0.6 -0.986 4.0-162.8-122.9 126.1 -16.8 -28.4 24.0 88 88 A F E -CD 34 148A 11 60,-3.4 60,-2.8 -2,-0.5 2,-0.4 -0.937 11.3-172.6-108.1 120.7 -19.1 -29.1 21.0 89 89 A M E +CD 33 147A 3 -56,-4.0 -56,-3.5 -2,-0.6 2,-0.3 -0.925 13.7 153.1-116.4 136.5 -17.5 -30.1 17.8 90 90 A A E -C 32 0A 8 56,-2.1 -58,-0.2 -2,-0.4 5,-0.1 -0.966 36.9-114.5-159.4 143.3 -19.1 -30.5 14.4 91 91 A G > - 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