==== 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 04-FEB-07 2EAY . COMPND 2 MOLECULE: BIOTIN [ACETYL-COA-CARBOXYLASE] LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL . 441 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 25.6 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 . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 . 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 . 47 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 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 PARALLEL BRIDGES PER LADDER . 0 1 5 6 3 0 0 4 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 0 2 0 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 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 X 0 0 166 0, 0.0 2,-0.6 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 163.8 37.5 15.5 15.0 2 2 A F + 0 0 31 1,-0.1 25,-0.2 142,-0.1 24,-0.1 -0.731 360.0 173.4 -85.3 118.7 35.3 13.1 16.9 3 3 A K + 0 0 162 23,-1.3 2,-0.3 -2,-0.6 24,-0.2 0.503 59.4 40.2-103.4 -8.2 34.1 14.8 20.1 4 4 A N E -a 27 0A 76 22,-1.8 24,-2.3 2,-0.0 2,-0.4 -0.985 56.4-163.5-149.3 136.1 31.6 12.3 21.5 5 5 A L E -a 28 0A 53 -2,-0.3 2,-0.6 22,-0.2 24,-0.2 -0.959 4.5-164.1-118.9 133.5 31.4 8.5 21.8 6 6 A I E -a 29 0A 26 22,-2.3 24,-2.5 -2,-0.4 2,-0.6 -0.946 20.5-160.0-114.2 103.0 28.2 6.6 22.5 7 7 A W E -a 30 0A 30 -2,-0.6 223,-2.3 22,-0.2 224,-0.4 -0.789 6.7-167.1 -96.3 121.4 29.4 3.2 23.6 8 8 A L E -aB 31 229A 0 22,-3.2 24,-2.7 -2,-0.6 25,-0.3 -0.868 20.4-156.0-107.0 133.3 27.0 0.2 23.4 9 9 A K E S- 0 0 74 219,-2.6 2,-0.3 -2,-0.4 220,-0.1 0.869 88.9 -5.9 -71.0 -37.5 27.6 -3.2 25.1 10 10 A E E S+ B 0 228A 21 218,-1.2 218,-2.4 22,-0.1 -1,-0.3 -0.976 70.8 158.6-158.1 145.0 25.2 -4.6 22.5 11 11 A V B -r 34 0B 0 22,-1.4 24,-2.1 -2,-0.3 3,-0.2 -0.966 46.9-111.0-160.6 158.0 23.0 -3.3 19.8 12 12 A D S S- 0 0 16 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.964 93.6 -24.0 -61.8 -51.6 21.3 -4.6 16.6 13 13 A S > - 0 0 22 21,-0.1 4,-2.1 1,-0.1 -1,-0.3 -0.909 43.6-146.8-165.1 131.4 23.5 -2.5 14.2 14 14 A T H > S+ 0 0 4 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.883 104.7 52.3 -69.7 -37.1 25.4 0.8 14.5 15 15 A Q H > S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.974 110.8 48.8 -59.3 -52.7 24.7 1.7 10.9 16 16 A E H >> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.885 108.2 51.7 -53.8 -48.8 20.9 1.1 11.4 17 17 A R H 3X S+ 0 0 5 -4,-2.1 4,-3.6 1,-0.3 -1,-0.2 0.839 106.6 53.8 -62.4 -34.1 20.7 3.2 14.6 18 18 A L H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.4 5,-0.2 0.699 106.3 54.0 -73.6 -18.0 22.4 6.1 12.9 19 19 A K H << S+ 0 0 93 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.792 119.1 34.4 -74.2 -32.3 19.7 5.8 10.2 20 20 A E H < S+ 0 0 84 -4,-1.3 2,-0.3 1,-0.0 223,-0.3 0.834 113.5 56.2 -92.1 -43.1 17.1 6.0 13.0 21 21 A W S < S- 0 0 3 -4,-3.6 2,-1.3 -5,-0.1 221,-0.1 -0.732 80.6-122.8 -96.6 144.9 18.5 8.4 15.6 22 22 A N + 0 0 129 -2,-0.3 2,-0.3 219,-0.2 -4,-0.1 -0.694 39.4 174.3 -91.5 96.6 19.7 11.9 15.0 23 23 A V - 0 0 9 -2,-1.3 2,-0.2 -5,-0.2 3,-0.1 -0.640 29.7-115.3 -94.0 151.4 23.2 11.9 16.1 24 24 A S > - 0 0 78 -2,-0.3 3,-1.4 1,-0.1 22,-0.3 -0.498 35.2 -91.7 -87.2 158.5 25.4 15.0 15.5 25 25 A Y T 3 S+ 0 0 125 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.405 115.5 41.7 -62.4 145.4 28.5 15.1 13.3 26 26 A G T 3 S+ 0 0 14 20,-0.5 -22,-1.8 1,-0.3 -23,-1.3 0.468 90.0 113.3 93.8 0.2 31.5 14.2 15.4 27 27 A T E < -a 4 0A 12 -3,-1.4 2,-0.5 -24,-0.2 19,-0.5 -0.913 50.4-159.1-110.1 131.9 29.7 11.4 17.2 28 28 A A E -a 5 0A 0 -24,-2.3 -22,-2.3 -2,-0.5 2,-0.8 -0.944 9.1-148.1-110.2 127.4 30.8 7.8 16.8 29 29 A L E -aC 6 44A 0 15,-2.6 15,-1.7 -2,-0.5 2,-0.3 -0.873 25.5-169.4 -94.9 111.6 28.2 5.2 17.8 30 30 A V E -aC 7 43A 0 -24,-2.5 -22,-3.2 -2,-0.8 2,-0.4 -0.804 10.3-170.7-107.8 144.7 30.3 2.3 19.0 31 31 A A E -aC 8 42A 0 11,-3.1 11,-1.7 -2,-0.3 -22,-0.2 -0.996 24.2-152.4-137.4 132.9 29.2 -1.3 19.8 32 32 A D S S- 0 0 17 -24,-2.7 7,-0.4 -2,-0.4 8,-0.4 0.805 90.7 -0.5 -66.7 -30.7 31.1 -4.1 21.5 33 33 A R - 0 0 85 -25,-0.3 -22,-1.4 -24,-0.1 2,-0.4 -0.981 66.6-136.8-158.6 149.2 28.9 -6.5 19.5 34 34 A Q B -r 11 0B 59 -2,-0.3 2,-0.9 -24,-0.2 -22,-0.2 -0.932 9.3-147.8-113.2 133.2 26.1 -6.4 16.9 35 35 A T 0 0 44 -24,-2.1 -22,-0.1 -2,-0.4 -23,-0.1 -0.493 360.0 360.0 -98.4 63.8 23.1 -8.7 17.1 36 36 A K 0 0 218 -2,-0.9 -1,-0.3 -25,-0.1 0, 0.0 0.499 360.0 360.0 73.8 360.0 22.4 -9.1 13.4 37 ! 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 38 49 A E 0 0 150 0, 0.0 78,-0.4 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 134.3 33.1 -10.8 21.6 39 50 A G + 0 0 9 1,-0.4 75,-2.9 -7,-0.4 74,-0.7 0.255 360.0 117.7 116.1 -12.3 36.3 -8.9 20.9 40 51 A G E - D 0 112A 1 -8,-0.4 -1,-0.4 73,-0.2 2,-0.4 -0.320 53.9-142.1 -80.7 171.1 35.2 -7.1 17.8 41 52 A L E + D 0 111A 0 70,-2.0 70,-2.4 -3,-0.1 2,-0.4 -0.972 21.5 176.3-137.1 118.5 34.9 -3.3 17.4 42 53 A Y E +CD 31 110A 54 -11,-1.7 -11,-3.1 -2,-0.4 2,-0.3 -0.980 6.6 158.5-128.2 137.0 32.1 -1.8 15.4 43 54 A F E -CD 30 109A 0 66,-2.3 66,-2.8 -2,-0.4 2,-0.3 -0.995 17.4-164.6-154.8 156.3 31.2 1.9 14.9 44 55 A S E +CD 29 108A 0 -15,-1.7 -15,-2.6 -2,-0.3 2,-0.3 -0.947 9.7 173.8-138.8 158.2 29.4 4.2 12.6 45 56 A F E - D 0 107A 0 62,-1.8 62,-2.9 -2,-0.3 2,-0.3 -0.974 28.2-107.2-158.9 163.2 29.4 8.0 12.1 46 57 A L E - D 0 106A 12 -19,-0.5 -20,-0.5 -2,-0.3 2,-0.3 -0.684 24.7-170.7 -99.7 152.5 27.9 10.6 9.8 47 58 A L E - D 0 105A 19 58,-2.0 58,-0.9 -2,-0.3 3,-0.0 -0.918 40.2 -93.9-133.6 157.8 29.6 12.6 7.2 48 59 A N >> - 0 0 62 -2,-0.3 3,-2.6 1,-0.2 4,-1.0 -0.661 32.3-149.4 -76.5 107.9 28.3 15.6 5.1 49 60 A P T 34 S+ 0 0 22 0, 0.0 -1,-0.2 0, 0.0 55,-0.1 0.742 95.8 56.8 -50.2 -25.9 27.0 13.9 2.0 50 61 A K T 34 S+ 0 0 148 1,-0.2 3,-0.3 3,-0.1 -2,-0.1 0.653 100.9 55.7 -83.9 -13.6 27.9 17.0 0.0 51 62 A E T <4 S+ 0 0 105 -3,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.743 114.4 37.9 -87.5 -24.3 31.6 17.0 1.0 52 63 A F < + 0 0 11 -4,-1.0 -1,-0.3 1,-0.1 -5,-0.0 -0.768 61.0 153.5-130.2 86.7 32.2 13.4 -0.3 53 64 A E + 0 0 169 -2,-0.4 2,-0.8 -3,-0.3 -1,-0.1 0.544 60.0 76.9 -90.4 -9.2 30.3 12.8 -3.5 54 65 A N > - 0 0 47 1,-0.1 4,-1.9 2,-0.1 -1,-0.1 -0.851 56.2-180.0-105.1 98.4 32.7 10.2 -4.8 55 66 A L T 4 S+ 0 0 53 -2,-0.8 43,-0.1 1,-0.2 -1,-0.1 0.176 78.2 61.1 -87.3 15.5 31.8 7.0 -2.8 56 67 A L T > S+ 0 0 27 142,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.732 110.3 39.3 -96.2 -43.9 34.5 5.0 -4.6 57 68 A Q H > S+ 0 0 25 141,-0.3 4,-2.1 1,-0.2 5,-0.2 0.871 110.4 61.1 -70.9 -39.0 37.3 7.3 -3.4 58 69 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.928 103.0 46.7 -57.8 -51.7 35.8 7.7 0.1 59 70 A P H > S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.863 113.0 52.2 -60.5 -34.0 35.9 4.0 1.2 60 71 A L H X S+ 0 0 3 -4,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.876 110.7 46.2 -69.4 -38.1 39.4 3.8 -0.1 61 72 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.885 115.1 47.7 -70.1 -38.5 40.5 6.8 2.0 62 73 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 48.8 -66.2 -44.0 38.7 5.4 5.0 63 74 A G H X S+ 0 0 1 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.920 110.4 51.7 -60.5 -45.2 40.3 2.0 4.5 64 75 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.943 108.6 51.5 -55.7 -49.6 43.7 3.7 4.1 65 76 A S H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 111.0 47.6 -55.1 -45.1 43.0 5.5 7.5 66 77 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.946 111.6 50.0 -63.5 -47.7 42.2 2.2 9.2 67 78 A S H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.890 112.1 48.1 -59.6 -39.3 45.3 0.5 7.8 68 79 A E H X S+ 0 0 22 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.927 113.3 46.9 -66.9 -44.9 47.5 3.4 8.9 69 80 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.922 111.8 50.2 -64.1 -44.4 46.0 3.5 12.4 70 81 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 6,-0.5 0.849 111.5 48.7 -63.3 -34.1 46.3 -0.3 12.8 71 82 A E H X S+ 0 0 73 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.868 108.7 53.1 -74.0 -35.9 49.9 -0.3 11.8 72 83 A E H < S+ 0 0 101 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.893 116.6 39.6 -64.8 -38.1 50.8 2.6 14.1 73 84 A I H < S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.934 132.6 21.6 -75.9 -48.8 49.3 0.6 17.0 74 85 A T H < S- 0 0 11 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.571 93.0-127.9 -97.4 -16.2 50.5 -2.9 16.2 75 86 A E < + 0 0 169 -4,-2.4 -4,-0.2 -5,-0.3 -3,-0.1 0.621 69.5 128.1 73.8 8.8 53.5 -2.2 13.9 76 87 A I - 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