==== 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 21-MAR-08 2C00 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR I.MOCHALKIN . 879 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 3 0.3 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 . 65 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 3 1 2 4 3 3 5 1 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 4 3 4 4 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 2 0 0 1 1 0 0 0 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 M 0 0 107 0, 0.0 310,-0.1 0, 0.0 309,-0.0 0.000 360.0 360.0 360.0 147.6 -80.6 23.1 -17.0 2 2 A L - 0 0 16 308,-0.2 25,-0.2 1,-0.1 3,-0.2 -0.272 360.0-150.8 -55.7 133.4 -78.5 26.1 -18.1 3 3 A E S S+ 0 0 105 1,-0.3 24,-2.3 23,-0.1 2,-0.4 0.965 73.9 5.6 -70.7 -53.3 -75.8 25.0 -20.6 4 4 A K E -a 27 0A 28 22,-0.2 72,-2.3 70,-0.1 73,-1.9 -0.986 62.6-161.3-145.8 125.9 -73.1 27.6 -19.8 5 5 A V E -ab 28 77A 0 22,-2.9 24,-2.1 -2,-0.4 2,-0.5 -0.918 9.8-148.8-112.5 128.6 -72.8 30.3 -17.2 6 6 A L E -ab 29 78A 0 71,-3.1 73,-2.4 -2,-0.5 2,-1.0 -0.852 15.0-143.1 -92.4 126.2 -70.5 33.3 -17.4 7 7 A I E -ab 30 79A 0 22,-3.0 2,-1.8 -2,-0.5 24,-0.9 -0.783 12.6-166.9 -94.7 98.6 -69.4 34.3 -13.9 8 8 A A + 0 0 5 71,-1.9 77,-0.4 -2,-1.0 2,-0.3 -0.470 60.8 56.9 -89.8 66.5 -69.2 38.1 -14.1 9 9 A N - 0 0 4 -2,-1.8 22,-0.4 22,-0.3 2,-0.2 -0.927 66.9-132.5-172.3-173.2 -67.3 38.6 -10.8 10 10 A R > + 0 0 14 -2,-0.3 4,-1.7 20,-0.1 3,-0.5 -0.730 55.0 29.1-142.8-177.5 -64.1 37.7 -8.9 11 11 A G H > S- 0 0 3 -2,-0.2 4,-1.6 1,-0.2 30,-0.2 -0.127 113.6 -15.7 64.0-143.3 -62.8 36.5 -5.6 12 12 A E H > S+ 0 0 6 369,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.880 134.9 53.8 -72.2 -38.1 -64.7 34.3 -3.2 13 13 A I H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.885 105.8 53.8 -67.5 -37.6 -68.1 34.8 -4.8 14 14 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.933 111.7 45.5 -56.2 -47.2 -66.8 33.8 -8.2 15 15 A L H X S+ 0 0 1 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.890 110.5 55.3 -63.3 -39.5 -65.6 30.5 -6.6 16 16 A R H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.934 111.1 43.0 -57.7 -50.1 -68.9 30.1 -4.8 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.916 110.5 56.5 -64.0 -44.6 -70.9 30.4 -8.1 18 18 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 107.1 49.6 -53.0 -46.5 -68.4 28.1 -9.9 19 19 A R H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.924 110.3 49.3 -59.6 -47.0 -69.0 25.4 -7.2 20 20 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.906 110.8 51.9 -58.1 -42.6 -72.8 25.7 -7.6 21 21 A C H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.4 0.939 108.3 49.1 -60.7 -49.9 -72.4 25.4 -11.4 22 22 A K H ><5S+ 0 0 47 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.901 107.5 55.6 -58.3 -41.3 -70.3 22.2 -11.2 23 23 A E H 3<5S+ 0 0 24 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 112.2 43.6 -59.7 -35.2 -72.8 20.6 -8.8 24 24 A L T 3<5S- 0 0 28 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.411 116.9-112.0 -90.0 2.4 -75.5 21.3 -11.4 25 25 A G T < 5 + 0 0 65 -3,-1.4 2,-0.4 -4,-0.4 -3,-0.2 0.779 65.7 151.3 71.3 27.1 -73.4 20.1 -14.4 26 26 A I < - 0 0 5 -5,-2.8 -1,-0.3 -6,-0.2 -22,-0.2 -0.773 46.1-124.7 -93.8 132.9 -73.2 23.7 -15.8 27 27 A K E -a 4 0A 98 -24,-2.3 -22,-2.9 -2,-0.4 2,-0.4 -0.505 30.6-140.8 -73.9 146.0 -70.2 24.7 -17.9 28 28 A T E -a 5 0A 0 -24,-0.2 19,-1.3 -2,-0.2 2,-0.4 -0.858 19.5-167.4-117.2 145.0 -68.4 27.7 -16.6 29 29 A V E -ac 6 47A 0 -24,-2.1 -22,-3.0 -2,-0.4 2,-0.4 -0.994 14.6-160.9-124.3 120.7 -66.7 30.8 -18.1 30 30 A A E -ac 7 48A 0 17,-2.9 19,-2.4 -2,-0.4 2,-0.4 -0.801 1.4-161.9 -95.5 142.4 -64.6 32.9 -15.8 31 31 A V E + c 0 49A 0 -24,-0.9 2,-0.3 -22,-0.4 -22,-0.3 -0.959 17.3 168.1-118.5 146.7 -63.7 36.5 -16.6 32 32 A H E - c 0 50A 10 17,-1.9 19,-2.1 -2,-0.4 20,-0.6 -0.987 31.3-117.8-152.3 157.1 -60.8 38.3 -14.9 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-0.9 17,-0.2 21,-0.1 -0.413 42.4-101.2 -83.3 172.4 -58.6 41.4 -15.1 34 34 A T G > S+ 0 0 65 18,-1.7 3,-0.8 1,-0.2 -1,-0.1 0.760 124.3 57.2 -64.7 -27.5 -54.8 41.2 -15.6 35 35 A A G 3 S+ 0 0 36 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.676 103.9 54.6 -77.1 -15.7 -54.4 41.8 -11.8 36 36 A D G X + 0 0 1 -3,-0.9 3,-1.7 1,-0.2 -1,-0.2 0.061 65.2 117.7-107.9 23.8 -56.5 38.7 -11.1 37 37 A R T < S+ 0 0 156 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.740 76.4 55.2 -60.8 -26.0 -54.6 36.0 -13.2 38 38 A E T 3 S+ 0 0 89 -3,-0.3 -1,-0.3 335,-0.1 -2,-0.1 0.384 75.2 136.1 -87.1 0.4 -53.8 34.1 -9.9 39 39 A L X> - 0 0 5 -3,-1.7 3,-1.3 1,-0.1 4,-0.6 -0.286 57.6-132.6 -59.8 132.5 -57.5 33.8 -8.8 40 40 A M T 34 S+ 0 0 20 327,-0.4 4,-0.4 1,-0.3 3,-0.4 0.825 100.5 56.7 -53.5 -40.6 -58.2 30.2 -7.5 41 41 A H T >> S+ 0 0 1 1,-0.2 4,-1.1 -30,-0.2 3,-0.7 0.728 89.3 76.1 -71.4 -20.0 -61.4 29.8 -9.5 42 42 A L G X4 S+ 0 0 16 -3,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.943 96.8 43.7 -57.8 -53.1 -59.8 30.4 -12.9 43 43 A S G 3< S+ 0 0 112 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.610 111.9 55.2 -73.2 -9.9 -58.1 27.1 -13.3 44 44 A L G <4 S+ 0 0 39 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.628 93.3 92.6 -88.0 -16.1 -61.2 25.3 -12.0 45 45 A A S << S- 0 0 15 -4,-1.1 -16,-0.1 -3,-1.1 3,-0.1 -0.376 79.0-132.0 -77.2 154.6 -63.3 27.0 -14.7 46 46 A D S S+ 0 0 106 -18,-0.4 2,-0.3 1,-0.2 -17,-0.2 0.854 93.9 13.9 -73.6 -35.6 -63.9 25.4 -18.1 47 47 A E E -c 29 0A 71 -19,-1.3 -17,-2.9 2,-0.0 2,-0.4 -0.981 67.3-164.6-138.8 151.2 -63.0 28.6 -19.9 48 48 A S E -c 30 0A 57 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.999 4.2-169.4-138.9 130.4 -61.3 31.8 -18.7 49 49 A V E -c 31 0A 44 -19,-2.4 -17,-1.9 -2,-0.4 2,-0.8 -0.988 19.6-139.6-126.4 129.9 -61.2 35.1 -20.5 50 50 A C E -c 32 0A 46 -2,-0.4 -17,-0.2 -19,-0.2 -16,-0.1 -0.777 23.4-178.8 -85.8 112.7 -59.0 38.1 -19.7 51 51 A I E - 0 0 22 -19,-2.1 -18,-0.2 -2,-0.8 -1,-0.1 0.444 49.7 -47.2 -99.7 -1.8 -61.3 41.0 -20.1 52 52 A G E S-c 33 0A 15 -20,-0.6 -18,-1.7 13,-0.0 -1,-0.2 -0.964 70.6 -43.2 161.0-176.1 -59.1 44.0 -19.3 53 53 A P - 0 0 54 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.089 68.0 -81.9 -77.3 179.7 -56.5 45.8 -17.1 54 54 A A S S+ 0 0 21 -21,-0.1 5,-0.1 5,-0.1 -21,-0.1 0.838 96.4 90.8 -56.7 -50.2 -56.5 46.0 -13.3 55 55 A P S > S- 0 0 48 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.248 73.5-136.1 -59.2 134.6 -58.9 48.8 -12.6 56 56 A A G > >S+ 0 0 25 1,-0.3 5,-2.5 321,-0.2 3,-1.2 0.832 104.6 60.4 -58.1 -35.5 -62.5 47.6 -12.1 57 57 A T G 3 5S+ 0 0 88 1,-0.2 -1,-0.3 3,-0.2 -3,-0.1 0.707 109.8 42.7 -64.6 -20.4 -63.8 50.5 -14.3 58 58 A Q G < 5S+ 0 0 103 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.309 132.2 12.2-108.6 7.3 -61.7 49.2 -17.2 59 59 A S T X 5S+ 0 0 0 -3,-1.2 3,-1.9 -4,-0.3 7,-0.2 0.300 125.9 31.5-141.0 -85.7 -62.5 45.4 -16.7 60 60 A Y T 3 5S+ 0 0 4 1,-0.3 25,-0.2 -5,-0.1 -3,-0.2 0.707 123.1 47.2 -64.3 -23.5 -65.3 44.0 -14.5 61 61 A L T 3 - 0 0 82 -3,-1.9 4,-2.1 -6,-0.3 5,-0.2 -0.712 49.7-169.3 -85.5 100.3 -67.1 47.1 -18.8 63 63 A I H > S+ 0 0 36 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.916 85.5 53.7 -55.9 -47.9 -70.5 45.9 -20.2 64 64 A P H > S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.907 108.9 49.4 -54.5 -41.7 -69.1 45.6 -23.7 65 65 A A H > S+ 0 0 26 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.934 112.7 45.6 -63.8 -46.2 -66.2 43.4 -22.5 66 66 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.2 -1,-0.2 0.934 115.1 47.0 -65.2 -45.3 -68.5 41.0 -20.5 67 67 A I H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 110.7 51.8 -65.8 -40.8 -71.0 40.7 -23.3 68 68 A A H X S+ 0 0 50 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 0.907 110.7 49.6 -58.1 -42.3 -68.3 40.1 -25.9 69 69 A A H X S+ 0 0 5 -4,-2.3 4,-2.2 2,-0.2 6,-0.3 0.892 110.0 50.7 -64.4 -39.2 -66.9 37.3 -23.7 70 70 A A H X>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 4,-1.2 0.923 113.5 45.3 -63.2 -44.4 -70.4 35.8 -23.4 71 71 A E H <5S+ 0 0 116 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.928 112.2 49.8 -68.0 -45.1 -70.8 35.8 -27.1 72 72 A V H <5S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 117.9 40.6 -58.2 -42.7 -67.3 34.5 -27.9 73 73 A T H <5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.603 107.0-122.2 -85.1 -12.2 -67.8 31.6 -25.4 74 74 A G T <5 + 0 0 44 -4,-1.2 -3,-0.2 -3,-0.4 -70,-0.1 0.779 45.6 175.2 73.7 27.4 -71.5 30.8 -26.2 75 75 A A < - 0 0 4 -5,-2.0 -1,-0.2 -6,-0.3 -70,-0.2 -0.377 21.7-164.6 -62.5 141.2 -72.5 31.4 -22.7 76 76 A T + 0 0 56 -72,-2.3 25,-2.3 1,-0.2 2,-0.3 0.601 69.7 28.4-101.9 -16.4 -76.3 31.2 -22.2 77 77 A A E -bd 5 101A 0 -73,-1.9 -71,-3.1 23,-0.2 2,-0.4 -0.986 62.0-148.0-144.5 155.0 -76.5 32.9 -18.8 78 78 A I E -bd 6 102A 0 23,-2.2 25,-3.1 -2,-0.3 -71,-0.2 -0.993 4.0-163.2-125.2 127.9 -74.6 35.4 -16.7 79 79 A H E -b 7 0A 0 -73,-2.4 -71,-1.9 -2,-0.4 25,-0.1 -0.966 2.9-171.0-106.5 115.9 -74.4 35.3 -12.9 80 80 A P - 0 0 5 0, 0.0 6,-0.4 0, 0.0 5,-0.2 0.479 16.9-159.2 -86.8 -4.4 -73.2 38.7 -11.6 81 81 A G - 0 0 1 22,-0.2 209,-0.5 4,-0.1 2,-0.3 -0.379 48.9 -38.0 62.1-136.5 -72.7 37.7 -7.9 82 82 A Y S S+ 0 0 33 207,-0.1 3,-0.1 -2,-0.1 209,-0.1 -0.920 110.3 6.8-123.1 152.5 -72.7 40.7 -5.6 83 83 A G S > S+ 0 0 37 -2,-0.3 3,-2.4 1,-0.2 2,-0.1 -0.253 100.1 60.8 68.4-165.8 -71.3 44.1 -6.3 84 84 A F T 3 S- 0 0 60 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.292 127.6 -13.6 47.5-114.7 -69.9 45.1 -9.7 85 85 A L T > S+ 0 0 2 -77,-0.4 3,-1.8 -5,-0.2 -1,-0.3 0.384 104.2 106.6 -97.0 6.3 -72.8 44.8 -12.2 86 86 A A T < S+ 0 0 1 -3,-2.4 -1,-0.2 -6,-0.4 -2,-0.1 0.793 94.1 26.5 -58.8 -35.3 -75.3 42.8 -10.1 87 87 A E T 3 S+ 0 0 76 -3,-0.3 2,-0.8 -7,-0.1 -1,-0.3 -0.036 90.0 118.4-117.9 28.5 -77.6 45.8 -9.5 88 88 A N X> - 0 0 51 -3,-1.8 4,-1.8 1,-0.2 3,-0.8 -0.855 47.6-164.4 -93.1 105.9 -76.7 47.7 -12.6 89 89 A A H 3> S+ 0 0 13 -2,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.839 86.1 61.1 -63.6 -33.8 -80.1 47.8 -14.5 90 90 A D H 3> S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.836 106.5 47.9 -59.9 -33.0 -78.3 48.8 -17.8 91 91 A F H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.942 111.6 46.3 -75.1 -50.8 -76.4 45.5 -17.7 92 92 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.905 113.0 53.8 -55.7 -40.0 -79.4 43.3 -17.0 93 93 A E H X S+ 0 0 42 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 107.6 47.9 -63.2 -40.7 -81.2 45.3 -19.7 94 94 A Q H X S+ 0 0 73 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.885 110.2 53.1 -67.5 -39.4 -78.5 44.6 -22.3 95 95 A I H X>S+ 0 0 0 -4,-2.2 5,-1.7 2,-0.2 4,-0.7 0.917 110.5 47.4 -62.4 -43.8 -78.5 40.9 -21.3 96 96 A E H ><5S+ 0 0 84 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.935 112.4 49.0 -59.4 -50.0 -82.2 40.8 -21.9 97 97 A R H 3<5S+ 0 0 182 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.744 110.3 51.5 -65.0 -27.1 -81.9 42.6 -25.3 98 98 A S H 3<5S- 0 0 48 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.559 116.3-112.2 -86.4 -11.5 -79.1 40.3 -26.4 99 99 A G T <<5S+ 0 0 66 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.495 72.7 131.1 92.4 2.6 -81.2 37.2 -25.6 100 100 A F < - 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