==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-DEC-06 2E65 . COMPND 2 MOLECULE: BIOTIN--[ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL . 452 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20704.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 24.8 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 1 0.2 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 . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 0 3 0 1 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 3 10 2 1 2 1 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 1 0 2 0 0 0 0 0 0 0 0 0 0 0 1 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 8 0, 0.0 376,-0.2 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 -16.9 -21.0 15.5 -22.6 2 2 A L - 0 0 6 243,-0.1 244,-0.1 374,-0.1 375,-0.1 0.723 360.0-149.4 -79.0 -23.5 -18.8 12.4 -21.9 3 3 A G - 0 0 29 242,-0.2 2,-0.1 1,-0.2 243,-0.1 0.863 21.8-177.0 57.1 41.0 -17.8 12.1 -25.6 4 4 A L - 0 0 12 6,-0.2 -1,-0.2 1,-0.1 265,-0.1 -0.442 16.5-163.6 -69.4 145.1 -17.5 8.3 -25.5 5 5 A K + 0 0 153 -2,-0.1 -1,-0.1 0, 0.0 5,-0.1 0.162 42.5 128.4-116.4 16.9 -16.2 6.9 -28.9 6 6 A T - 0 0 12 3,-0.1 149,-0.1 4,-0.1 4,-0.0 -0.277 56.6-135.5 -72.4 158.6 -17.2 3.2 -28.4 7 7 A S S S- 0 0 83 2,-0.1 -1,-0.1 -2,-0.0 3,-0.1 0.904 86.7 -14.8 -81.6 -46.8 -19.2 1.2 -30.9 8 8 A I S > S+ 0 0 28 1,-0.2 3,-1.8 26,-0.0 2,-0.6 0.657 117.8 71.8-124.1 -58.6 -21.7 -0.6 -28.7 9 9 A I T 3 S+ 0 0 2 1,-0.3 -1,-0.2 2,-0.1 26,-0.2 -0.533 110.2 20.0 -71.4 113.5 -20.8 -0.5 -25.0 10 10 A G T 3 S+ 0 0 0 24,-3.1 -1,-0.3 -2,-0.6 -6,-0.2 0.529 75.8 129.6 105.8 8.1 -21.4 3.0 -23.8 11 11 A R S < S+ 0 0 117 -3,-1.8 235,-2.4 23,-0.4 236,-0.4 0.894 90.0 12.8 -56.6 -39.8 -23.7 4.2 -26.6 12 12 A R E S-A 245 0A 62 22,-0.4 24,-2.4 -4,-0.3 2,-0.4 -0.989 73.6-165.1-132.7 150.0 -25.9 5.3 -23.6 13 13 A V E -Ab 244 36A 2 231,-2.1 231,-3.3 -2,-0.3 2,-0.6 -0.994 5.2-160.1-137.4 128.0 -25.0 5.6 -20.0 14 14 A I E -Ab 243 37A 17 22,-3.2 24,-2.7 -2,-0.4 2,-0.4 -0.945 14.9-162.6-112.0 114.4 -27.4 6.0 -17.1 15 15 A Y E -Ab 242 38A 4 227,-3.3 227,-2.3 -2,-0.6 2,-0.4 -0.807 5.5-169.3-100.8 137.5 -25.8 7.4 -14.0 16 16 A F E -Ab 241 39A 2 22,-2.3 24,-2.2 -2,-0.4 25,-0.3 -0.975 25.3-150.6-124.4 132.7 -27.3 7.2 -10.5 17 17 A Q S S- 0 0 42 223,-2.2 24,-0.4 -2,-0.4 2,-0.3 0.908 95.4 -0.8 -62.4 -37.9 -26.2 9.0 -7.3 18 18 A E S S+ 0 0 103 222,-0.4 -1,-0.3 22,-0.2 2,-0.3 -0.994 71.1 169.0-151.6 146.9 -27.6 6.0 -5.6 19 19 A I B -q 42 0B 13 22,-1.6 24,-2.5 -2,-0.3 25,-0.4 -0.979 38.9-124.7-152.8 158.1 -29.3 2.7 -6.7 20 20 A T S S- 0 0 74 -2,-0.3 24,-2.3 1,-0.3 2,-0.3 0.972 94.4 -18.6 -70.1 -52.1 -30.3 -0.6 -5.1 21 21 A S > - 0 0 14 22,-0.1 4,-2.0 21,-0.1 -1,-0.3 -0.924 47.6-149.5-158.6 126.8 -28.4 -2.6 -7.7 22 22 A T H > S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.880 103.8 52.5 -65.9 -35.3 -27.1 -1.8 -11.1 23 23 A N H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 109.3 48.1 -65.9 -43.8 -27.6 -5.4 -12.2 24 24 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.882 112.5 48.8 -65.0 -37.5 -31.2 -5.5 -11.0 25 25 A F H X S+ 0 0 47 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 113.1 47.6 -67.3 -42.4 -32.0 -2.2 -12.8 26 26 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 5,-0.2 0.881 113.9 47.1 -65.1 -39.2 -30.4 -3.4 -16.0 27 27 A K H < S+ 0 0 47 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.909 119.0 39.7 -67.4 -44.0 -32.3 -6.7 -15.8 28 28 A T H < S+ 0 0 102 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.856 101.9 77.4 -76.0 -41.4 -35.6 -5.1 -15.1 29 29 A S S < S- 0 0 28 -4,-2.6 2,-1.0 -5,-0.2 -4,-0.0 -0.298 84.2-111.3 -77.3 156.1 -35.6 -2.0 -17.4 30 30 A Y + 0 0 233 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.781 56.2 160.3 -85.8 105.5 -36.2 -1.8 -21.1 31 31 A L - 0 0 40 -2,-1.0 2,-0.1 -5,-0.2 3,-0.1 -0.971 38.9-117.6-133.6 146.9 -32.7 -0.9 -22.3 32 32 A E > - 0 0 88 -2,-0.3 3,-1.8 1,-0.1 26,-0.2 -0.420 48.1 -83.9 -78.9 155.1 -30.9 -1.0 -25.7 33 33 A E T 3 S+ 0 0 63 1,-0.2 26,-0.2 -2,-0.1 -1,-0.1 -0.305 115.3 29.8 -58.6 139.1 -27.8 -3.1 -26.1 34 34 A G T 3 S+ 0 0 0 24,-3.3 -24,-3.1 1,-0.3 -22,-0.4 0.276 81.5 142.0 95.0 -11.1 -24.6 -1.4 -24.9 35 35 A T < - 0 0 3 -3,-1.8 23,-2.3 -26,-0.2 2,-0.5 -0.468 39.5-149.7 -68.7 132.0 -26.3 0.7 -22.3 36 36 A V E -bC 13 57A 0 -24,-2.4 -22,-3.2 21,-0.2 2,-0.5 -0.899 5.2-158.1-105.9 130.1 -24.2 1.1 -19.2 37 37 A I E +bC 14 56A 0 19,-3.1 19,-2.1 -2,-0.5 2,-0.4 -0.942 21.8 171.5-107.4 122.2 -25.8 1.5 -15.7 38 38 A V E -bC 15 55A 0 -24,-2.7 -22,-2.3 -2,-0.5 2,-0.3 -0.991 9.6-177.4-136.4 143.0 -23.5 3.1 -13.2 39 39 A A E -bC 16 54A 0 15,-1.9 15,-0.7 -2,-0.4 -22,-0.2 -0.988 35.5-130.1-140.7 149.4 -24.0 4.4 -9.7 40 40 A D S S- 0 0 6 -24,-2.2 12,-0.5 -2,-0.3 11,-0.4 0.862 97.4 -0.7 -63.8 -34.5 -21.9 6.2 -7.0 41 41 A K - 0 0 50 -24,-0.4 -22,-1.6 -25,-0.3 2,-0.5 -0.995 61.8-139.1-154.7 154.6 -23.1 3.6 -4.6 42 42 A Q B > -qR 19 48B 18 6,-2.0 6,-2.3 -2,-0.3 3,-0.6 -0.976 4.5-162.3-116.4 127.3 -25.4 0.5 -4.4 43 43 A T T 3 S+ 0 0 49 -24,-2.5 -23,-0.2 -2,-0.5 -22,-0.1 0.659 94.8 26.1 -82.1 -16.1 -27.5 0.1 -1.3 44 44 A M T 3 0 0 136 -24,-2.3 -1,-0.2 -25,-0.4 -24,-0.1 -0.329 360.0 360.0-141.7 53.4 -28.1 -3.6 -2.0 45 45 A G < 0 0 74 -3,-0.6 -24,-0.0 -26,-0.1 -2,-0.0 0.240 360.0 360.0 -78.9 360.0 -25.1 -4.7 -4.0 46 ! 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 47 54 A E 0 0 147 0, 0.0 -4,-0.2 0, 0.0 -27,-0.0 0.000 360.0 360.0 360.0 145.2 -23.5 -2.1 0.3 48 55 A S B -R 42 0B 15 -6,-2.3 -6,-2.0 4,-0.0 3,-0.1 -0.898 360.0-142.2-102.2 100.8 -21.1 -0.9 -2.5 49 56 A P > - 0 0 38 0, 0.0 3,-1.4 0, 0.0 78,-0.2 -0.080 21.6 -82.5 -65.5 161.0 -19.8 2.4 -1.0 50 57 A E T 3 S+ 0 0 107 1,-0.2 78,-0.3 76,-0.1 -9,-0.1 -0.325 110.8 50.2 -60.9 142.9 -19.0 5.6 -2.7 51 58 A G T 3 S+ 0 0 18 1,-0.5 75,-3.1 -11,-0.4 76,-0.4 0.086 91.5 95.2 113.1 -22.0 -15.5 5.7 -4.2 52 59 A G S < S- 0 0 0 -3,-1.4 2,-0.7 -12,-0.5 -1,-0.5 -0.462 78.4-112.1 -97.2 171.9 -15.9 2.4 -6.1 53 60 A L E + D 0 123A 0 70,-2.9 70,-2.4 -2,-0.1 2,-0.6 -0.915 37.1 176.1-107.2 109.4 -16.9 1.7 -9.7 54 61 A W E +CD 39 122A 16 -2,-0.7 -15,-1.9 -15,-0.7 2,-0.3 -0.940 16.5 145.0-117.6 109.9 -20.3 -0.1 -9.8 55 62 A L E -CD 38 121A 1 66,-2.4 66,-3.1 -2,-0.6 2,-0.3 -0.959 31.3-159.2-145.9 162.6 -21.7 -0.7 -13.2 56 63 A S E -CD 37 120A 0 -19,-2.1 -19,-3.1 -2,-0.3 2,-0.4 -0.982 12.7-151.1-138.4 146.9 -23.7 -3.1 -15.3 57 64 A I E -CD 36 119A 0 62,-2.0 62,-2.6 -2,-0.3 2,-0.5 -0.981 12.2-135.5-126.5 130.7 -23.8 -3.5 -19.1 58 65 A V E + D 0 118A 3 -23,-2.3 -24,-3.3 -2,-0.4 2,-0.3 -0.728 32.2 177.7 -84.5 124.9 -26.8 -4.7 -21.2 59 66 A L E - D 0 117A 0 58,-3.3 58,-3.2 -2,-0.5 -26,-0.0 -0.925 26.7-177.9-128.4 154.0 -25.7 -7.1 -23.9 60 67 A S - 0 0 33 -2,-0.3 2,-0.2 56,-0.2 56,-0.1 -0.412 20.4-172.8-147.0 61.4 -27.5 -9.2 -26.5 61 68 A P - 0 0 12 0, 0.0 2,-1.5 0, 0.0 7,-0.1 -0.388 19.9-144.2 -64.3 126.0 -24.7 -11.2 -28.3 62 69 A K + 0 0 146 -2,-0.2 3,-0.0 3,-0.0 53,-0.0 -0.592 60.6 111.8 -92.2 73.7 -25.8 -13.2 -31.3 63 70 A V S S- 0 0 27 -2,-1.5 5,-0.1 1,-0.0 102,-0.1 -0.907 77.1 -72.4-137.5 163.4 -23.6 -16.2 -30.8 64 71 A P >> - 0 0 70 0, 0.0 3,-2.1 0, 0.0 4,-0.7 -0.232 43.1-117.0 -59.4 149.0 -24.3 -19.8 -29.8 65 72 A Q G >4 S+ 0 0 170 1,-0.3 3,-0.5 2,-0.2 -3,-0.0 0.763 110.0 72.7 -56.8 -28.2 -25.3 -20.5 -26.2 66 73 A K G 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.658 100.0 47.1 -63.1 -14.8 -22.2 -22.6 -25.7 67 74 A D G X4 S+ 0 0 5 -3,-2.1 3,-2.9 1,-0.1 -1,-0.2 0.691 86.5 86.1 -98.4 -24.0 -20.3 -19.3 -25.7 68 75 A L G X< S+ 0 0 44 -4,-0.7 3,-2.1 -3,-0.5 4,-0.3 0.826 79.7 65.6 -45.8 -40.0 -22.6 -17.3 -23.3 69 76 A P G 3 S+ 0 0 35 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.667 92.2 66.0 -59.9 -14.1 -20.7 -18.7 -20.3 70 77 A K G <> S+ 0 0 2 -3,-2.9 4,-0.9 1,-0.2 3,-0.4 0.467 74.2 87.2 -87.3 -2.9 -17.6 -16.8 -21.5 71 78 A I H X> S+ 0 0 1 -3,-2.1 4,-1.4 1,-0.2 3,-0.7 0.863 80.8 61.2 -65.6 -34.0 -19.2 -13.3 -21.0 72 79 A V H 3> S+ 0 0 9 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.881 100.3 56.8 -60.1 -34.6 -18.0 -13.3 -17.4 73 80 A F H 3> S+ 0 0 5 -3,-0.4 4,-2.9 -4,-0.3 5,-0.3 0.818 97.7 60.0 -67.0 -30.5 -14.4 -13.5 -18.8 74 81 A L H <>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 3,-0.6 0.903 107.6 52.4 -60.8 -40.2 -5.6 -2.2 -14.0 84 91 A K H ><5S+ 0 0 122 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.860 102.7 59.0 -64.8 -33.3 -2.5 -2.7 -16.1 85 92 A E H 3<5S+ 0 0 109 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.7 43.7 -62.7 -30.3 -3.0 0.7 -17.6 86 93 A F T <<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.204 123.6-110.1 -96.8 11.5 -2.8 2.1 -14.1 87 94 A S T < 5S+ 0 0 111 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.831 73.1 137.9 64.2 37.0 0.2 -0.2 -13.4 88 95 A I < - 0 0 7 -5,-2.9 2,-1.5 -8,-0.2 -1,-0.2 -0.944 54.7-131.3-112.9 132.3 -1.7 -2.5 -11.0 89 96 A D + 0 0 100 -2,-0.4 12,-0.4 -3,-0.1 2,-0.3 -0.574 32.2 178.9 -87.4 79.1 -1.1 -6.3 -11.3 90 97 A G - 0 0 1 -2,-1.5 2,-0.4 -10,-0.3 10,-0.2 -0.628 6.1-168.1 -82.1 137.9 -4.6 -7.7 -11.3 91 98 A R E -E 99 0A 96 8,-3.0 8,-3.4 -2,-0.3 2,-0.3 -0.980 22.8-113.3-127.2 139.3 -4.8 -11.5 -11.7 92 99 A I E -Ef 98 179A 0 86,-3.3 88,-2.8 -2,-0.4 2,-0.7 -0.551 15.7-157.9 -80.1 128.6 -8.0 -13.5 -12.4 93 100 A K E > -E 97 0A 53 4,-3.2 4,-1.8 -2,-0.3 3,-0.4 -0.924 55.5 -71.2-100.5 113.2 -9.4 -15.8 -9.9 94 101 A W T 4 S- 0 0 13 -2,-0.7 131,-0.2 1,-0.3 4,-0.0 -0.212 100.5 -15.5 -53.5 134.4 -11.5 -18.3 -11.9 95 102 A P T 4 S+ 0 0 15 0, 0.0 -1,-0.3 0, 0.0 -19,-0.2 -0.963 131.2 12.5-111.5 3.7 -13.9 -17.4 -13.1 96 103 A N T 4 S+ 0 0 73 -3,-0.4 12,-2.4 -21,-0.1 2,-0.3 0.120 97.6 74.2-131.0 23.9 -15.4 -14.1 -11.8 97 104 A A E < -EG 93 107A 4 -4,-1.8 -4,-3.2 10,-0.2 2,-0.5 -0.975 53.0-149.0-141.0 155.1 -12.9 -12.2 -9.7 98 105 A V E -EG 92 106A 0 8,-2.2 7,-2.8 -2,-0.3 8,-1.5 -0.988 20.7-170.1-122.7 126.6 -9.7 -10.1 -10.0 99 106 A L E 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