==== 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 25-DEC-06 2E64 . COMPND 2 MOLECULE: BIOTIN--[ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 461 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.5 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 2 0 2 1 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 . 3 0 3 9 3 0 3 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 2 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, 0.0 381,-0.2 0, 0.0 380,-0.1 0.000 360.0 360.0 360.0 -18.6 -20.8 15.7 -22.7 2 2 A L - 0 0 6 242,-0.1 243,-0.1 379,-0.1 380,-0.1 0.725 360.0-147.7 -77.3 -23.5 -18.7 12.6 -22.0 3 3 A G + 0 0 30 241,-0.2 2,-0.1 1,-0.2 242,-0.1 0.851 24.3 179.5 59.9 38.5 -17.5 12.2 -25.6 4 4 A L - 0 0 12 6,-0.2 -1,-0.2 1,-0.1 264,-0.1 -0.471 16.2-167.2 -70.7 144.3 -17.3 8.4 -25.6 5 5 A K + 0 0 143 -2,-0.1 -1,-0.1 0, 0.0 6,-0.1 0.207 39.1 131.7-118.0 13.7 -16.2 7.0 -28.9 6 6 A T - 0 0 14 3,-0.1 148,-0.1 4,-0.1 4,-0.0 -0.208 56.9-132.5 -66.3 157.1 -17.0 3.3 -28.4 7 7 A S S S- 0 0 82 2,-0.0 -1,-0.1 4,-0.0 3,-0.1 0.922 86.7 -17.2 -77.4 -48.6 -18.9 1.3 -30.9 8 8 A I S > S+ 0 0 28 1,-0.2 3,-1.9 26,-0.0 2,-0.6 0.667 117.4 72.5-125.1 -58.4 -21.5 -0.4 -28.6 9 9 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.2 2,-0.1 26,-0.2 -0.534 110.0 20.8 -70.1 114.7 -20.6 -0.4 -24.9 10 10 A G T 3 S+ 0 0 0 24,-3.3 -1,-0.3 -2,-0.6 -6,-0.2 0.524 75.9 128.6 105.5 6.6 -21.2 3.2 -23.8 11 11 A R S < S+ 0 0 128 -3,-1.9 234,-2.3 23,-0.4 235,-0.4 0.881 90.4 13.1 -57.2 -37.4 -23.5 4.3 -26.6 12 12 A R E S-A 244 0A 66 22,-0.5 24,-2.3 -4,-0.3 2,-0.4 -0.987 73.6-164.5-135.2 149.7 -25.6 5.4 -23.7 13 13 A V E -Ab 243 36A 2 230,-2.2 230,-3.2 -2,-0.3 2,-0.6 -0.990 5.1-160.3-137.1 126.2 -24.8 5.8 -20.0 14 14 A I E -Ab 242 37A 17 22,-3.4 24,-2.7 -2,-0.4 2,-0.4 -0.937 15.3-164.8-109.9 114.1 -27.3 6.1 -17.1 15 15 A Y E -Ab 241 38A 4 226,-3.3 226,-2.3 -2,-0.6 2,-0.4 -0.798 5.3-170.8-100.6 140.3 -25.7 7.5 -14.0 16 16 A F E -Ab 240 39A 1 22,-2.0 24,-2.1 -2,-0.4 25,-0.3 -0.987 28.2-145.4-129.5 137.7 -27.2 7.4 -10.5 17 17 A Q S S- 0 0 33 222,-2.2 24,-0.3 -2,-0.4 2,-0.3 0.903 95.5 -6.6 -64.5 -38.3 -26.1 9.2 -7.3 18 18 A E + 0 0 107 221,-0.4 -1,-0.3 22,-0.2 2,-0.3 -0.991 68.8 171.9-155.0 152.9 -27.4 6.0 -5.7 19 19 A I B -q 42 0B 19 22,-1.5 24,-2.4 -2,-0.3 25,-0.4 -0.971 39.5-120.6-155.3 159.1 -29.2 2.9 -6.7 20 20 A T S S- 0 0 81 1,-0.3 24,-2.4 -2,-0.3 2,-0.3 0.971 95.9 -17.7 -69.2 -51.1 -30.2 -0.5 -5.0 21 21 A S > - 0 0 18 22,-0.1 4,-2.2 21,-0.1 -1,-0.3 -0.929 47.2-149.8-158.6 127.7 -28.3 -2.5 -7.6 22 22 A T H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.888 104.1 52.2 -66.7 -36.1 -27.0 -1.6 -11.1 23 23 A N H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 110.1 47.6 -65.7 -43.1 -27.5 -5.3 -12.2 24 24 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 112.5 49.0 -65.5 -40.0 -31.1 -5.3 -11.0 25 25 A F H X S+ 0 0 50 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.923 113.1 48.2 -63.9 -42.7 -31.9 -2.0 -12.7 26 26 A A H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 113.1 46.8 -65.8 -38.6 -30.3 -3.3 -16.0 27 27 A K H < S+ 0 0 75 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.904 119.1 40.5 -69.5 -41.3 -32.1 -6.6 -15.9 28 28 A T H < S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.861 101.5 77.1 -77.3 -40.8 -35.5 -5.0 -15.1 29 29 A S S < S- 0 0 27 -4,-2.6 2,-1.0 -5,-0.2 -4,-0.0 -0.297 84.7-110.8 -77.2 156.8 -35.5 -1.9 -17.3 30 30 A Y + 0 0 234 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.778 57.0 160.1 -86.3 104.2 -36.1 -1.7 -21.1 31 31 A L - 0 0 38 -2,-1.0 2,-0.1 -5,-0.2 3,-0.1 -0.945 38.5-117.5-131.0 150.2 -32.6 -0.7 -22.3 32 32 A E > - 0 0 95 -2,-0.3 3,-1.8 1,-0.1 25,-0.2 -0.466 46.8 -84.4 -83.5 156.9 -30.7 -0.9 -25.6 33 33 A E T 3 S+ 0 0 58 1,-0.2 25,-0.2 -2,-0.1 -1,-0.1 -0.311 115.0 28.5 -59.2 139.3 -27.6 -3.0 -26.1 34 34 A G T 3 S+ 0 0 0 23,-3.4 -24,-3.3 1,-0.3 -22,-0.5 0.285 82.2 140.7 94.1 -11.4 -24.5 -1.2 -24.9 35 35 A T < - 0 0 3 -3,-1.8 22,-2.3 -26,-0.2 2,-0.4 -0.495 40.2-149.6 -70.6 132.6 -26.2 0.9 -22.3 36 36 A V E -bC 13 56A 0 -24,-2.3 -22,-3.4 -2,-0.2 2,-0.6 -0.890 5.2-158.1-106.2 130.9 -24.1 1.2 -19.1 37 37 A I E +bC 14 55A 0 18,-3.1 18,-2.3 -2,-0.4 2,-0.4 -0.954 22.0 172.3-108.4 120.1 -25.7 1.7 -15.7 38 38 A V E -bC 15 54A 0 -24,-2.7 -22,-2.0 -2,-0.6 2,-0.3 -0.987 9.3-176.5-134.7 142.4 -23.3 3.3 -13.2 39 39 A A E -bC 16 53A 0 14,-2.0 14,-0.7 -2,-0.4 -22,-0.2 -0.982 35.2-130.2-138.8 149.7 -23.8 4.5 -9.7 40 40 A D S S- 0 0 6 -24,-2.1 11,-0.4 -2,-0.3 10,-0.4 0.846 97.2 -3.2 -64.9 -32.2 -21.8 6.3 -7.0 41 41 A K - 0 0 48 -24,-0.3 -22,-1.5 -25,-0.3 2,-0.5 -0.991 62.1-137.4-157.9 154.3 -23.0 3.6 -4.6 42 42 A Q B -qR 19 47B 25 5,-1.7 5,-2.2 -2,-0.3 -22,-0.2 -0.968 5.3-161.7-115.7 131.5 -25.3 0.6 -4.4 43 43 A T 0 0 56 -24,-2.4 -23,-0.2 -2,-0.5 -22,-0.1 0.686 360.0 360.0 -85.2 -19.9 -27.5 0.2 -1.3 44 44 A M 0 0 164 -24,-2.4 3,-0.1 -25,-0.4 -2,-0.1 -0.245 360.0 360.0-142.7 360.0 -28.1 -3.5 -1.9 45 ! 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 46 54 A E 0 0 152 0, 0.0 -3,-0.2 0, 0.0 -26,-0.1 0.000 360.0 360.0 360.0 138.0 -23.4 -1.6 0.3 47 55 A S B -R 42 0B 24 -5,-2.2 -5,-1.7 -3,-0.1 3,-0.1 -0.884 360.0-138.0 -96.8 101.8 -21.0 -0.8 -2.5 48 56 A P > - 0 0 37 0, 0.0 3,-1.5 0, 0.0 78,-0.1 -0.090 19.6 -83.2 -65.4 159.3 -19.6 2.5 -1.0 49 57 A E T 3 S+ 0 0 89 1,-0.2 78,-0.4 76,-0.1 -8,-0.1 -0.314 111.3 49.8 -59.0 140.0 -18.9 5.8 -2.6 50 58 A G T 3 S+ 0 0 19 1,-0.5 75,-2.8 -10,-0.4 76,-0.4 0.041 91.2 97.4 115.5 -23.7 -15.4 5.8 -4.2 51 59 A G S < S- 0 0 0 -3,-1.5 2,-0.7 -11,-0.4 -1,-0.5 -0.432 77.4-113.8 -94.4 170.1 -15.8 2.5 -6.1 52 60 A L E + D 0 122A 0 70,-2.8 70,-2.5 -2,-0.1 2,-0.6 -0.916 37.7 175.5-106.0 108.9 -16.8 1.8 -9.7 53 61 A W E +CD 39 121A 16 -2,-0.7 -14,-2.0 -14,-0.7 2,-0.3 -0.945 16.2 144.6-118.3 110.0 -20.1 0.1 -9.8 54 62 A L E -CD 38 120A 0 66,-2.5 66,-2.9 -2,-0.6 2,-0.3 -0.958 32.1-157.5-146.9 163.1 -21.6 -0.6 -13.2 55 63 A S E -CD 37 119A 0 -18,-2.3 -18,-3.1 -2,-0.3 2,-0.4 -0.986 12.3-151.8-138.7 146.5 -23.6 -2.9 -15.3 56 64 A I E -CD 36 118A 0 62,-2.0 62,-2.6 -2,-0.3 2,-0.5 -0.978 12.4-135.5-126.3 131.7 -23.7 -3.3 -19.1 57 65 A V E + D 0 117A 1 -22,-2.3 -23,-3.4 -2,-0.4 2,-0.3 -0.740 30.9 178.8 -86.0 124.8 -26.6 -4.5 -21.2 58 66 A L E - D 0 116A 0 58,-2.9 58,-3.3 -2,-0.5 -25,-0.0 -0.951 25.5-175.7-128.7 148.1 -25.5 -7.0 -23.9 59 67 A S - 0 0 21 -2,-0.3 2,-0.3 56,-0.2 56,-0.1 -0.483 21.1-174.8-138.2 62.8 -27.4 -8.9 -26.6 60 68 A P - 0 0 9 0, 0.0 2,-1.4 0, 0.0 -2,-0.1 -0.446 18.8-151.0 -68.1 123.3 -24.7 -11.1 -28.1 61 69 A K + 0 0 149 -2,-0.3 53,-0.0 53,-0.0 3,-0.0 -0.614 54.1 120.0 -94.4 74.0 -25.8 -13.2 -31.2 62 70 A V S S- 0 0 21 -2,-1.4 5,-0.1 1,-0.1 102,-0.1 -0.854 74.6 -69.8-130.2 164.9 -23.4 -16.0 -30.7 63 71 A P >> - 0 0 73 0, 0.0 3,-2.3 0, 0.0 4,-0.7 -0.242 45.0-119.1 -54.9 144.7 -23.8 -19.8 -30.1 64 72 A Q G >4 S+ 0 0 159 1,-0.3 3,-0.7 2,-0.2 49,-0.0 0.812 113.1 66.7 -55.9 -29.6 -25.3 -20.6 -26.6 65 73 A K G 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.649 101.5 47.8 -67.8 -13.6 -22.1 -22.6 -25.9 66 74 A D G X4 S+ 0 0 5 -3,-2.3 3,-2.2 1,-0.1 -1,-0.2 0.645 87.8 83.2 -97.6 -20.0 -20.2 -19.3 -26.0 67 75 A L G X< S+ 0 0 31 -4,-0.7 3,-2.1 -3,-0.7 4,-0.3 0.829 77.8 68.7 -58.3 -35.7 -22.4 -17.3 -23.7 68 76 A P G > S+ 0 0 89 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.681 90.6 67.2 -54.6 -16.3 -20.7 -18.7 -20.5 69 77 A K G X> S+ 0 0 5 -3,-2.2 3,-0.9 1,-0.2 4,-0.8 0.543 71.0 91.4 -84.7 -5.9 -17.6 -16.7 -21.6 70 78 A I H X> S+ 0 0 1 -3,-2.1 4,-1.2 1,-0.3 3,-1.0 0.859 78.6 61.7 -57.7 -37.1 -19.1 -13.3 -21.1 71 79 A V H <> S+ 0 0 18 -3,-0.5 4,-2.1 -4,-0.3 -1,-0.3 0.862 97.9 59.3 -58.2 -34.4 -17.9 -13.1 -17.5 72 80 A F H <> S+ 0 0 6 -3,-0.9 4,-2.7 1,-0.2 5,-0.3 0.801 95.8 60.9 -65.8 -29.8 -14.3 -13.4 -18.9 73 81 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-0.5 0.910 108.2 52.2 -60.1 -40.7 -5.5 -2.1 -13.9 83 91 A K H ><5S+ 0 0 124 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.860 103.1 58.6 -63.9 -33.6 -2.4 -2.7 -16.0 84 92 A E H 3<5S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.4 44.2 -62.9 -31.2 -2.9 0.8 -17.6 85 93 A F T <<5S- 0 0 45 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.168 123.6-109.6 -96.6 15.0 -2.7 2.2 -14.1 86 94 A S T < 5S+ 0 0 112 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.825 73.6 138.2 61.7 36.4 0.4 -0.1 -13.4 87 95 A I < - 0 0 7 -5,-3.0 2,-1.7 -8,-0.2 -1,-0.2 -0.948 55.2-131.0-113.6 128.9 -1.5 -2.4 -11.0 88 96 A D + 0 0 102 -2,-0.5 12,-0.5 -3,-0.1 2,-0.3 -0.514 33.7 177.2 -82.1 76.4 -0.9 -6.1 -11.2 89 97 A G - 0 0 2 -2,-1.7 2,-0.4 -10,-0.3 10,-0.2 -0.624 5.6-171.2 -81.6 137.2 -4.5 -7.5 -11.3 90 98 A R E -E 98 0A 85 8,-2.8 8,-3.2 -2,-0.3 2,-0.4 -0.973 23.9-110.5-129.4 144.2 -4.8 -11.3 -11.8 91 99 A I E -Ef 97 178A 0 86,-3.1 88,-2.7 -2,-0.4 2,-0.8 -0.588 14.2-157.6 -83.3 128.7 -7.9 -13.4 -12.4 92 100 A K E >> -E 96 0A 37 4,-3.1 4,-2.2 -2,-0.4 3,-0.6 -0.918 59.6 -69.1 -98.5 108.7 -9.3 -15.7 -9.8 93 101 A W T 34 S- 0 0 10 -2,-0.8 131,-0.2 1,-0.3 4,-0.0 -0.120 102.3 -13.5 -49.6 134.0 -11.3 -18.1 -11.9 94 102 A P T 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 -19,-0.2 -0.972 132.0 6.7-112.4 2.7 -13.6 -17.2 -13.2 95 103 A N T <4 S+ 0 0 20 -3,-0.6 12,-1.8 -20,-0.1 2,-0.3 0.407 96.9 83.8-126.8 1.1 -15.1 -13.9 -12.1 96 104 A D E < -EG 92 106A 37 -4,-2.2 -4,-3.1 10,-0.2 2,-0.4 -0.806 52.6-152.6-114.7 155.4 -12.7 -12.2 -9.6 97 105 A V E -EG 91 105A 0 8,-2.4 7,-2.7 -2,-0.3 8,-1.7 -0.989 17.5-173.3-124.5 126.9 -9.6 -10.0 -9.9 98 106 A L E -EG 90 103A 11 -8,-3.2 -8,-2.8 -2,-0.4 2,-0.5 -0.845 19.4-152.1-119.4 154.9 -7.0 -10.0 -7.2 99 107 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3.7-168.6-134.9 115.6 -21.4 -10.9 -12.0 109 117 A V E + I 0 118A 47 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.884 8.6 174.1-107.3 132.5 -23.2 -11.9 -15.2 110 118 A E E + I 0 117A 50 7,-2.3 7,-3.7 -2,-0.5 2,-0.3 -0.999 12.2 159.8-135.1 135.8 -27.0 -12.5 -15.3 111 119 A G E - I 0 116A 32 -2,-0.4 5,-0.2 5,-0.3 3,-0.1 -0.996 39.9-162.1-158.4 163.6 -29.1 -13.3 -18.4 112 120 A K - 0 0 202 3,-2.0 2,-1.0 -2,-0.3 4,-0.1 -0.123 66.0 -89.7-135.9 36.9 -32.2 -14.6 -20.0 113 121 A G S S+ 0 0 36 1,-0.2 3,-0.1 2,-0.2 -1,-0.0 -0.769 119.1 40.9 98.1 -97.0 -31.1 -15.1 -23.6 114 122 A D S S+ 0 0 108 -2,-1.0 2,-0.5 1,-0.2 -1,-0.2 0.705 121.0 46.5 -62.7 -21.5 -31.7 -11.9 -25.7 115 123 A K + 0 0 49 -56,-0.1 -3,-2.0 -58,-0.0 2,-0.4 -0.955 63.8 177.0-130.1 118.2 -30.5 -9.8 -22.7 116 124 A I E -DI 58 111A 13 -58,-3.3 -58,-2.9 -2,-0.5 2,-0.6 -0.957 17.0-150.2-116.6 132.0 -27.3 -10.5 -20.8 117 125 A V E -DI 57 110A 1 -7,-3.7 -7,-2.3 -2,-0.4 2,-0.7 -0.922 4.2-160.0-107.7 121.0 -26.2 -8.2 -18.0 118 126 A L E -DI 56 109A 2 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