==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 30-AUG-06 2DXU . COMPND 2 MOLECULE: BIOTIN--[ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,M.TAKETA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 452 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 23.2 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 . 8 1.8 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-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 . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 21.0 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+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 . 4 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 3 8 1 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 0 1 1 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 7 0, 0.0 386,-0.2 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 -14.6 -21.1 15.7 -22.3 2 2 A L - 0 0 7 247,-0.1 385,-0.1 384,-0.1 248,-0.1 0.727 360.0-146.5 -76.4 -23.7 -19.0 12.7 -21.6 3 3 A G - 0 0 31 1,-0.2 2,-0.1 383,-0.0 247,-0.1 0.842 25.0-179.5 61.5 36.7 -17.8 12.3 -25.2 4 4 A L - 0 0 11 6,-0.2 -1,-0.2 1,-0.1 269,-0.1 -0.464 16.2-167.4 -69.6 141.2 -17.6 8.5 -25.2 5 5 A K + 0 0 140 -2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.125 41.1 127.6-116.7 18.6 -16.4 7.1 -28.5 6 6 A T - 0 0 11 3,-0.1 156,-0.1 4,-0.1 4,-0.0 -0.358 57.4-134.9 -73.6 156.8 -17.3 3.5 -28.0 7 7 A S S S- 0 0 74 -2,-0.1 -1,-0.1 2,-0.0 3,-0.1 0.900 85.7 -11.9 -80.8 -45.8 -19.4 1.6 -30.6 8 8 A I S > S+ 0 0 31 1,-0.2 3,-1.8 26,-0.0 2,-0.6 0.683 118.1 69.3-122.2 -59.7 -21.9 -0.3 -28.4 9 9 A I T 3 S+ 0 0 2 1,-0.3 -1,-0.2 152,-0.1 26,-0.2 -0.556 111.3 21.5 -72.0 115.3 -21.0 -0.3 -24.7 10 10 A G T 3 S+ 0 0 0 24,-3.0 -1,-0.3 -2,-0.6 -6,-0.2 0.499 76.7 128.3 105.8 5.5 -21.5 3.3 -23.5 11 11 A R S < S+ 0 0 105 -3,-1.8 239,-2.3 23,-0.4 240,-0.4 0.877 90.0 12.0 -57.7 -36.7 -23.9 4.4 -26.3 12 12 A R E S-A 249 0A 64 22,-0.5 24,-2.2 -4,-0.3 2,-0.4 -0.987 73.4-165.4-136.4 150.0 -26.0 5.5 -23.4 13 13 A V E -Ab 248 36A 2 235,-2.1 235,-3.3 -2,-0.3 2,-0.6 -0.995 5.8-160.2-137.4 128.5 -25.2 5.8 -19.7 14 14 A I E -Ab 247 37A 18 22,-3.2 24,-2.7 -2,-0.4 2,-0.4 -0.951 15.7-164.9-112.4 113.5 -27.7 6.2 -16.8 15 15 A Y E -Ab 246 38A 3 231,-3.1 231,-2.3 -2,-0.6 2,-0.4 -0.807 4.9-170.0-100.5 139.7 -26.0 7.6 -13.7 16 16 A F E -Ab 245 39A 1 22,-2.1 24,-2.3 -2,-0.4 25,-0.3 -0.984 27.0-148.1-128.8 137.0 -27.6 7.5 -10.2 17 17 A Q S S- 0 0 42 227,-2.2 24,-0.5 -2,-0.4 2,-0.3 0.895 95.6 -1.1 -66.2 -36.7 -26.4 9.2 -7.0 18 18 A E S S+ 0 0 96 226,-0.4 -1,-0.3 22,-0.2 2,-0.3 -0.993 71.3 168.8-152.8 146.7 -27.9 6.2 -5.3 19 19 A I B -q 42 0B 14 22,-1.5 24,-2.2 -2,-0.3 25,-0.4 -0.959 40.8-120.9-151.8 162.5 -29.7 3.0 -6.4 20 20 A T S S- 0 0 79 -2,-0.3 24,-2.5 1,-0.3 2,-0.3 0.977 94.4 -25.8 -70.2 -56.9 -30.8 -0.3 -4.9 21 21 A S > - 0 0 3 22,-0.1 4,-2.5 21,-0.1 -1,-0.3 -0.911 46.2-145.9-160.3 127.1 -28.7 -2.4 -7.4 22 22 A T H > S+ 0 0 4 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.861 105.5 53.6 -63.8 -33.8 -27.5 -1.5 -10.9 23 23 A N H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 110.1 46.6 -66.6 -41.6 -28.0 -5.2 -11.9 24 24 A E H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 113.7 48.0 -65.8 -43.3 -31.6 -5.2 -10.7 25 25 A F H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.913 113.3 48.4 -63.3 -42.4 -32.4 -2.0 -12.5 26 26 A A H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.880 113.4 46.0 -65.8 -40.3 -30.8 -3.2 -15.7 27 27 A K H < S+ 0 0 45 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.911 119.3 41.0 -67.9 -43.1 -32.6 -6.6 -15.6 28 28 A T H < S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.865 102.1 76.0 -74.9 -40.8 -36.0 -5.0 -14.8 29 29 A S S < S- 0 0 27 -4,-2.6 2,-1.0 -5,-0.2 -4,-0.0 -0.312 84.7-110.7 -79.2 157.3 -36.0 -1.9 -17.0 30 30 A Y + 0 0 236 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.775 56.9 159.0 -86.4 104.7 -36.6 -1.6 -20.8 31 31 A L - 0 0 41 -2,-1.0 2,-0.1 -5,-0.2 3,-0.1 -0.956 38.7-116.2-132.3 150.2 -33.1 -0.6 -22.0 32 32 A E > - 0 0 99 -2,-0.3 3,-1.8 1,-0.1 33,-0.2 -0.429 46.6 -83.7 -82.5 157.0 -31.2 -0.7 -25.3 33 33 A E T 3 S+ 0 0 60 1,-0.2 33,-0.2 -2,-0.1 -1,-0.1 -0.320 115.0 27.8 -59.4 138.1 -28.1 -2.8 -25.8 34 34 A G T 3 S+ 0 0 0 31,-3.4 -24,-3.0 1,-0.3 -22,-0.5 0.279 82.3 141.1 94.8 -11.8 -24.9 -1.1 -24.7 35 35 A T < - 0 0 3 -3,-1.8 30,-2.3 30,-0.2 2,-0.5 -0.483 39.7-150.4 -69.3 132.4 -26.6 1.0 -22.0 36 36 A V E -bC 13 64A 0 -24,-2.2 -22,-3.2 -2,-0.2 2,-0.5 -0.901 5.0-159.0-106.5 130.9 -24.5 1.3 -18.9 37 37 A I E +bC 14 63A 0 26,-2.9 26,-2.3 -2,-0.5 2,-0.4 -0.958 21.7 171.6-109.1 121.5 -26.2 1.7 -15.5 38 38 A V E -bC 15 62A 0 -24,-2.7 -22,-2.1 -2,-0.5 2,-0.3 -0.989 10.4-174.0-136.7 143.4 -23.8 3.2 -12.9 39 39 A A E -bC 16 61A 0 22,-1.9 22,-0.7 -2,-0.4 -22,-0.2 -0.986 32.9-133.3-139.0 147.5 -24.3 4.6 -9.4 40 40 A D S S- 0 0 10 -24,-2.3 19,-0.5 -2,-0.3 18,-0.3 0.883 96.1 -2.3 -63.0 -37.4 -22.2 6.3 -6.7 41 41 A K - 0 0 70 -24,-0.5 -22,-1.5 -25,-0.3 2,-0.4 -0.989 63.6-142.3-152.8 155.1 -23.5 3.8 -4.2 42 42 A Q B -q 19 0B 21 13,-1.6 13,-0.4 -2,-0.3 -22,-0.2 -0.964 2.9-164.3-120.7 138.8 -25.9 0.9 -3.9 43 43 A T S S+ 0 0 59 -24,-2.2 -23,-0.2 -2,-0.4 -22,-0.1 0.669 95.1 27.0 -92.7 -20.2 -28.2 0.2 -1.0 44 44 A M S S+ 0 0 119 -24,-2.5 -1,-0.2 -25,-0.4 -24,-0.1 -0.204 80.0 161.1-135.5 43.1 -28.8 -3.4 -2.0 45 45 A G - 0 0 2 8,-0.4 8,-2.4 -3,-0.2 2,-0.3 -0.352 18.3-173.6 -64.9 146.8 -25.8 -4.5 -4.0 46 46 A H B -R 52 0C 27 6,-0.3 6,-0.2 8,-0.1 2,-0.1 -0.968 24.4-159.3-145.1 160.7 -25.4 -8.2 -4.4 47 47 A G > - 0 0 16 4,-2.3 3,-0.8 1,-0.4 6,-0.1 -0.106 62.4 -36.9-109.6-148.6 -23.2 -11.0 -5.7 48 48 A A G > S+ 0 0 43 1,-0.2 3,-2.1 2,-0.2 -1,-0.4 -0.386 128.2 19.8 -76.1 157.8 -24.3 -14.5 -6.5 49 49 A L G 3 S- 0 0 115 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.800 132.7 -69.1 53.0 32.1 -27.0 -16.2 -4.3 50 50 A N G < S+ 0 0 130 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.725 83.2 169.6 59.2 25.1 -28.0 -12.8 -3.1 51 51 A R < - 0 0 128 -3,-2.1 -4,-2.3 1,-0.1 -1,-0.2 -0.371 43.1 -99.9 -61.4 140.8 -24.8 -12.4 -1.2 52 52 A K B -R 46 0C 138 -6,-0.2 2,-0.6 -2,-0.1 -6,-0.3 -0.459 33.1-159.8 -68.4 131.2 -24.4 -8.8 0.1 53 53 A W - 0 0 45 -8,-2.4 2,-0.4 -2,-0.2 -8,-0.4 -0.956 17.8-133.1-113.3 112.8 -22.0 -6.7 -2.1 54 54 A E + 0 0 95 -2,-0.6 -11,-0.1 1,-0.1 -8,-0.1 -0.517 29.0 177.2 -67.3 121.7 -20.7 -3.7 -0.1 55 55 A S + 0 0 8 -13,-0.4 -13,-1.6 -2,-0.4 -1,-0.1 -0.461 9.4 161.9-129.0 61.6 -21.1 -0.6 -2.4 56 56 A P > - 0 0 37 0, 0.0 3,-1.3 0, 0.0 78,-0.1 -0.225 51.5 -76.0 -76.3 168.3 -20.0 2.6 -0.6 57 57 A E T 3 S+ 0 0 115 1,-0.2 78,-0.3 76,-0.1 -16,-0.1 -0.370 114.1 50.0 -63.3 141.5 -19.2 5.8 -2.3 58 58 A G T 3 S+ 0 0 20 1,-0.5 75,-3.1 -18,-0.3 76,-0.5 0.180 91.7 94.6 114.1 -15.7 -15.8 5.8 -3.9 59 59 A G S < S- 0 0 0 -3,-1.3 2,-0.7 -19,-0.5 -1,-0.5 -0.539 77.1-112.3-103.9 172.7 -16.2 2.6 -5.9 60 60 A L E + D 0 130A 0 70,-2.9 70,-2.5 -2,-0.2 2,-0.6 -0.910 36.6 173.4-109.4 107.7 -17.2 1.7 -9.4 61 61 A W E +CD 39 129A 1 -2,-0.7 -22,-1.9 -22,-0.7 2,-0.3 -0.951 18.8 144.8-117.2 108.5 -20.6 -0.1 -9.4 62 62 A L E -CD 38 128A 1 66,-2.3 66,-2.9 -2,-0.6 2,-0.3 -0.960 32.3-157.5-146.7 163.0 -22.1 -0.6 -12.9 63 63 A S E -CD 37 127A 0 -26,-2.3 -26,-2.9 -2,-0.3 2,-0.4 -0.977 11.0-151.4-137.8 149.4 -24.0 -2.9 -15.1 64 64 A I E -CD 36 126A 0 62,-2.0 62,-2.7 -2,-0.3 2,-0.5 -0.988 12.9-135.5-128.2 131.3 -24.2 -3.2 -18.9 65 65 A V E - D 0 125A 1 -30,-2.3 -31,-3.4 -2,-0.4 2,-0.3 -0.733 30.4-178.7 -85.8 125.2 -27.1 -4.4 -21.0 66 66 A L E - 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0 0 6 -5,-2.7 2,-2.0 -8,-0.2 -1,-0.2 -0.934 54.5-131.2-110.3 128.3 -2.1 -2.5 -10.7 96 96 A D + 0 0 101 -2,-0.5 12,-0.4 -3,-0.1 2,-0.3 -0.497 35.6 176.6 -83.5 77.6 -1.3 -6.2 -11.0 97 97 A G - 0 0 4 -2,-2.0 2,-0.4 -10,-0.3 10,-0.2 -0.629 5.4-173.5 -86.2 137.6 -4.8 -7.6 -11.2 98 98 A R E -E 106 0A 87 8,-2.6 8,-3.3 -2,-0.3 2,-0.4 -0.983 24.6-111.7-132.1 144.4 -5.2 -11.4 -11.6 99 99 A I E -Ef 105 186A 0 86,-3.1 88,-2.7 -2,-0.4 2,-0.8 -0.635 15.1-160.3 -86.2 128.8 -8.3 -13.5 -12.3 100 100 A K E > -E 104 0A 14 4,-2.8 4,-2.3 -2,-0.4 3,-0.3 -0.932 55.6 -75.5-101.9 108.2 -9.6 -15.9 -9.7 101 101 A W T 4 S- 0 0 5 -2,-0.8 128,-0.4 86,-0.3 4,-0.0 -0.191 101.3 -1.6 -50.4 135.6 -11.8 -18.2 -11.8 102 102 A P T 4 S- 0 0 5 0, 0.0 -1,-0.3 0, 0.0 -19,-0.2 -0.986 132.5 -6.2-108.3 -10.1 -14.4 -17.5 -12.8 103 103 A N T 4 S+ 0 0 43 -3,-0.3 12,-1.8 -20,-0.1 2,-0.3 0.361 96.2 93.2-128.5 4.6 -15.6 -14.0 -11.8 104 104 A D E < -EG 100 114A 9 -4,-2.3 -4,-2.8 10,-0.2 2,-0.5 -0.753 49.1-155.8-107.5 151.5 -13.1 -12.4 -9.3 105 105 A V E -EG 99 113A 0 8,-2.2 7,-2.3 -2,-0.3 8,-1.5 -0.994 19.4-172.2-123.0 127.7 -10.1 -10.2 -9.8 106 106 A L E -EG 98 111A 6 -8,-3.3 -8,-2.6 -2,-0.5 2,-0.4 -0.804 21.1-157.5-119.2 159.1 -7.5 -10.2 -7.1 107 107 A V E > S- G 0 110A 3 3,-2.3 3,-1.7 -2,-0.3 -10,-0.1 -0.966 92.5 -13.9-134.5 113.7 -4.3 -8.2 -6.3 108 108 A N T 3 S- 0 0 108 -12,-0.4 3,-0.1 -2,-0.4 -11,-0.1 0.894 130.0 -57.4 55.2 43.0 -2.0 -10.1 -4.1 109 109 A Y T 3 S+ 0 0 102 1,-0.2 2,-0.4 -11,-0.1 -1,-0.3 0.514 112.7 121.0 66.3 11.2 -4.8 -12.5 -3.4 110 110 A K E < S-G 107 0A 87 -3,-1.7 -3,-2.3 32,-0.0 2,-0.6 -0.864 70.9-110.5-103.9 137.0 -7.1 -9.8 -2.1 111 111 A K E +Gh 106 140A 65 28,-2.3 30,-1.9 -2,-0.4 -5,-0.2 -0.532 43.2 162.7 -74.9 114.1 -10.4 -9.2 -3.9 112 112 A I E + 0 0 0 -7,-2.3 19,-2.7 -2,-0.6 2,-0.3 0.653 66.6 10.4-101.5 -20.0 -10.5 -5.9 -5.7 113 113 A A E -GI 105 130A 0 -8,-1.5 -8,-2.2 17,-0.2 2,-0.3 -0.994 55.4-158.4-157.9 157.2 -13.4 -6.7 -8.0 114 114 A G E -GI 104 129A 9 15,-2.1 15,-2.5 -2,-0.3 2,-0.4 -0.991 9.7-150.5-139.7 145.9 -16.3 -9.1 -8.7 115 115 A V E - 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