==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-OCT-08 2V5A . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN,J.R.MILLER . 891 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 5 0 2 5 3 2 5 0 0 4 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 3 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 0 PARALLEL BRIDGES PER LADDER . 6 4 2 5 3 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 2 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 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 0 102 0, 0.0 2,-0.1 0, 0.0 313,-0.1 0.000 360.0 360.0 360.0 143.3 44.1 -27.4 26.0 2 2 A L - 0 0 14 311,-0.3 25,-0.2 1,-0.1 3,-0.1 -0.349 360.0-153.6 -59.9 126.4 43.0 -26.1 22.6 3 3 A D S S- 0 0 82 1,-0.3 24,-2.8 23,-0.2 2,-0.3 0.944 71.1 -3.0 -67.3 -51.4 45.7 -24.0 20.9 4 4 A K E -a 27 0A 29 22,-0.2 72,-3.0 70,-0.1 73,-0.9 -0.998 63.2-171.1-151.1 135.5 43.5 -21.7 18.7 5 5 A I E -ab 28 77A 0 22,-2.2 24,-2.4 -2,-0.3 2,-0.5 -0.953 21.9-128.4-130.9 152.2 39.8 -21.4 18.0 6 6 A V E -ab 29 78A 0 71,-2.6 73,-2.6 -2,-0.3 2,-1.0 -0.848 18.4-143.0 -90.9 129.8 37.6 -19.5 15.6 7 7 A I E -ab 30 79A 0 22,-2.7 2,-2.0 -2,-0.5 24,-0.9 -0.836 13.2-163.8 -92.0 97.9 34.7 -17.6 17.2 8 8 A A + 0 0 4 71,-2.1 77,-0.3 -2,-1.0 2,-0.3 -0.345 59.9 63.4 -82.0 57.6 32.0 -18.2 14.6 9 9 A N - 0 0 4 -2,-2.0 2,-0.2 22,-0.3 22,-0.1 -0.908 65.6-130.3-161.1-173.4 29.8 -15.4 16.0 10 10 A R >> + 0 0 23 -2,-0.3 4,-1.2 22,-0.1 3,-0.6 -0.777 55.3 14.4-139.7 177.7 29.4 -11.6 16.7 11 11 A G H 3> S- 0 0 2 -2,-0.2 4,-1.4 1,-0.2 3,-0.2 -0.081 115.0 -8.9 56.6-140.9 28.5 -9.0 19.3 12 12 A E H 3> S+ 0 0 4 372,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.849 133.1 51.8 -64.4 -40.8 28.2 -9.9 23.0 13 13 A I H <> S+ 0 0 0 -3,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.856 106.6 54.9 -69.1 -33.3 28.5 -13.7 22.8 14 14 A A H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.2 -1,-0.2 0.858 110.8 45.4 -65.8 -37.0 31.7 -13.4 20.7 15 15 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.860 110.7 54.1 -71.9 -38.8 33.3 -11.2 23.4 16 16 A R H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.927 113.0 42.7 -56.2 -49.2 32.0 -13.6 26.1 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.885 111.5 55.3 -66.1 -40.8 33.7 -16.5 24.3 18 18 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.902 107.7 48.9 -59.1 -44.9 36.9 -14.4 23.6 19 19 A R H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.883 110.5 50.9 -61.8 -41.9 37.3 -13.6 27.4 20 20 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.904 111.0 49.0 -62.2 -43.2 36.9 -17.3 28.2 21 21 A C H >X>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 4,-0.5 0.931 110.3 50.2 -59.4 -51.5 39.6 -18.2 25.7 22 22 A K H ><5S+ 0 0 40 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.856 107.2 54.3 -56.7 -41.8 42.0 -15.6 27.0 23 23 A E H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.814 113.6 42.9 -60.0 -33.1 41.5 -16.9 30.6 24 24 A L H <<5S- 0 0 33 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.434 117.6-112.7 -94.0 -3.2 42.5 -20.4 29.3 25 25 A G T <<5 + 0 0 61 -3,-0.8 2,-0.5 -4,-0.5 -3,-0.2 0.716 63.2 154.5 75.7 24.5 45.3 -19.1 27.2 26 26 A I < - 0 0 4 -5,-3.2 -1,-0.3 -6,-0.2 -22,-0.2 -0.738 45.8-121.7 -88.7 125.4 43.6 -20.0 23.9 27 27 A K E -a 4 0A 95 -24,-2.8 -22,-2.2 -2,-0.5 2,-0.4 -0.366 31.4-138.0 -61.0 141.5 44.5 -18.1 20.8 28 28 A T E -a 5 0A 1 -24,-0.2 19,-2.1 16,-0.1 2,-0.5 -0.897 19.3-169.2-114.8 134.4 41.5 -16.4 19.2 29 29 A V E -ac 6 47A 0 -24,-2.4 -22,-2.7 -2,-0.4 2,-0.8 -0.970 12.4-158.6-116.1 113.2 40.5 -16.0 15.6 30 30 A A E -ac 7 48A 0 17,-2.7 19,-2.4 -2,-0.5 2,-0.4 -0.829 4.0-164.7 -91.2 110.6 37.6 -13.5 15.1 31 31 A V E + c 0 49A 0 -24,-0.9 2,-0.3 -2,-0.8 -22,-0.3 -0.809 23.1 166.7 -88.2 137.8 35.8 -14.1 11.9 32 32 A H E - c 0 50A 6 17,-2.1 19,-2.3 -2,-0.4 20,-0.6 -0.990 36.1-110.7-151.9 154.6 33.6 -11.1 11.0 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.7 17,-0.2 21,-0.1 -0.379 43.0-103.7 -76.5 164.9 31.5 -9.4 8.3 34 34 A S G > S+ 0 0 55 18,-1.7 3,-0.5 1,-0.3 -1,-0.1 0.717 124.8 56.4 -62.8 -22.7 32.7 -6.1 6.6 35 35 A A G 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.592 104.1 54.9 -79.5 -12.5 30.1 -4.4 8.8 36 36 A D G X + 0 0 1 -3,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.056 65.7 114.8-115.2 24.7 31.6 -5.8 12.0 37 37 A R T < S+ 0 0 132 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.805 80.3 48.1 -62.9 -33.2 35.3 -4.7 11.7 38 38 A D T 3 S+ 0 0 105 -3,-0.2 -1,-0.3 338,-0.1 2,-0.1 0.071 77.8 134.8-102.9 21.4 35.0 -2.4 14.8 39 39 A L <> - 0 0 0 -3,-1.3 4,-2.3 1,-0.1 5,-0.2 -0.478 64.3-121.7 -63.9 141.0 33.4 -5.0 17.1 40 40 A K H > S+ 0 0 15 330,-0.4 4,-0.9 1,-0.2 -1,-0.1 0.886 112.1 46.4 -54.3 -45.1 35.0 -5.0 20.6 41 41 A H H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.842 110.1 53.7 -69.3 -33.8 36.0 -8.7 20.4 42 42 A V H >4 S+ 0 0 9 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.909 108.8 50.6 -62.4 -42.1 37.3 -8.3 16.8 43 43 A L H 3< S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.705 114.9 43.2 -68.6 -21.2 39.5 -5.5 18.2 44 44 A L H 3< S+ 0 0 43 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.471 91.4 110.1-101.7 -5.9 40.8 -7.7 21.0 45 45 A A << - 0 0 17 -4,-0.8 -16,-0.1 -3,-0.7 3,-0.1 -0.355 69.3-132.0 -80.2 152.4 41.4 -10.9 19.0 46 46 A D S S+ 0 0 101 -18,-0.4 2,-0.3 1,-0.2 -17,-0.2 0.895 93.8 13.3 -68.0 -41.1 44.8 -12.4 18.2 47 47 A E E -c 29 0A 70 -19,-2.1 -17,-2.7 2,-0.0 2,-0.4 -0.973 69.6-160.7-133.8 148.5 43.8 -12.8 14.6 48 48 A T E -c 30 0A 73 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.978 4.7-173.1-128.9 144.0 41.0 -11.5 12.5 49 49 A V E -c 31 0A 35 -19,-2.4 -17,-2.1 -2,-0.4 2,-0.6 -0.986 20.4-140.8-133.0 124.3 39.5 -12.7 9.2 50 50 A C E -c 32 0A 51 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.778 21.2-176.6 -78.2 119.4 36.8 -10.8 7.2 51 51 A I E - 0 0 14 -19,-2.3 -18,-0.2 -2,-0.6 -1,-0.1 0.396 52.2 -45.8-103.7 1.4 34.6 -13.6 5.9 52 52 A G E S-c 33 0A 19 -20,-0.6 -18,-1.7 13,-0.1 -1,-0.3 -0.906 72.1 -49.1 155.7 177.9 32.2 -11.7 3.8 53 53 A P - 0 0 65 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.093 68.9 -79.7 -73.7 177.5 29.8 -8.7 3.4 54 54 A A S S+ 0 0 10 -21,-0.1 -21,-0.1 5,-0.1 5,-0.1 0.814 100.2 89.4 -48.4 -51.5 27.2 -7.5 5.9 55 55 A P S >> S- 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.311 77.9-132.3 -58.5 134.8 24.3 -10.0 5.2 56 56 A S G >4>S+ 0 0 24 324,-0.3 5,-2.7 1,-0.3 3,-0.9 0.783 100.4 68.5 -59.7 -36.0 24.6 -13.1 7.3 57 57 A V G 345S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.810 111.2 35.6 -52.0 -32.6 24.1 -15.5 4.4 58 58 A K G <45S+ 0 0 109 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.441 134.1 22.8-104.1 -2.9 27.5 -14.4 3.0 59 59 A S T X<5S+ 0 0 0 -3,-0.9 3,-1.4 -4,-0.5 7,-0.2 0.496 127.9 18.9-120.8 -88.6 29.1 -14.0 6.5 60 60 A Y T 3 5S+ 0 0 2 1,-0.3 25,-0.3 5,-0.1 -3,-0.2 0.524 132.6 41.3 -75.1 -5.7 28.0 -15.7 9.7 61 61 A L T 3 - 0 0 27 -3,-1.4 4,-1.9 -6,-0.5 5,-0.2 -0.611 46.7-175.0 -78.2 90.6 28.7 -18.8 5.2 63 63 A I H > S+ 0 0 25 -2,-1.4 4,-2.3 1,-0.2 5,-0.2 0.914 78.5 47.8 -56.4 -53.7 30.0 -22.3 6.0 64 64 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.878 111.7 51.7 -56.0 -41.7 32.9 -22.5 3.5 65 65 A A H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.874 111.5 45.8 -63.7 -40.8 34.2 -19.0 4.5 66 66 A I H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.876 114.7 47.8 -71.4 -39.4 34.2 -19.9 8.3 67 67 A I H X S+ 0 0 13 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.903 110.3 52.3 -66.9 -41.8 35.9 -23.3 7.6 68 68 A S H X S+ 0 0 71 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.865 106.9 53.4 -60.1 -40.3 38.5 -21.7 5.3 69 69 A A H X S+ 0 0 2 -4,-1.6 4,-1.5 2,-0.2 6,-0.3 0.864 108.2 49.4 -63.7 -39.3 39.3 -19.1 8.1 70 70 A A H X>S+ 0 0 0 -4,-1.5 5,-1.7 2,-0.2 4,-0.6 0.905 114.5 47.1 -64.0 -42.1 39.9 -22.0 10.5 71 71 A E H ><5S+ 0 0 119 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.932 112.7 45.8 -63.2 -50.9 42.2 -23.6 7.9 72 72 A I H 3<5S+ 0 0 148 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.6 45.2 -71.0 -24.4 44.2 -20.5 7.0 73 73 A T H 3<5S- 0 0 13 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.515 108.2-119.3 -94.3 -7.9 44.8 -19.5 10.6 74 74 A G T <<5 + 0 0 45 -3,-0.7 -3,-0.2 -4,-0.6 -70,-0.1 0.740 54.5 164.0 70.0 24.6 45.7 -23.0 11.9 75 75 A A < - 0 0 4 -5,-1.7 -70,-0.2 -6,-0.3 -1,-0.2 -0.428 29.2-159.2 -69.7 150.4 42.8 -23.0 14.3 76 76 A V + 0 0 51 -72,-3.0 25,-2.7 1,-0.1 2,-0.3 0.511 67.1 28.6-108.8 -10.7 41.8 -26.4 15.7 77 77 A A E -bd 5 101A 0 -73,-0.9 -71,-2.6 23,-0.3 2,-0.4 -0.974 60.1-141.4-153.0 158.0 38.2 -25.7 16.8 78 78 A I E -bd 6 102A 0 23,-2.7 25,-2.6 -2,-0.3 -71,-0.2 -0.993 6.2-158.7-130.5 121.8 35.1 -23.6 16.1 79 79 A H E -b 7 0A 1 -73,-2.6 -71,-2.1 -2,-0.4 25,-0.1 -0.921 4.9-168.4 -97.7 115.5 32.8 -22.1 18.7 80 80 A P - 0 0 6 0, 0.0 6,-0.3 0, 0.0 5,-0.3 0.554 17.5-158.3 -82.3 -9.7 29.4 -21.4 17.1 81 81 A G - 0 0 1 22,-0.2 212,-0.6 4,-0.1 2,-0.3 -0.480 45.4 -47.3 70.6-139.9 28.0 -19.3 20.0 82 82 A Y S S+ 0 0 33 -2,-0.2 3,-0.2 210,-0.1 212,-0.1 -0.848 109.4 16.0-117.2 167.4 24.2 -19.1 19.9 83 83 A G S > S+ 0 0 38 -2,-0.3 3,-2.6 1,-0.2 4,-0.3 -0.333 101.0 57.7 69.1-156.6 22.0 -18.4 16.9 84 84 A F T 3 S- 0 0 65 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.045 128.0 -15.0 36.1-111.0 23.5 -18.6 13.4 85 85 A L T > S+ 0 0 8 -77,-0.3 3,-1.3 -25,-0.3 -1,-0.3 0.237 102.3 107.8-106.8 13.8 25.0 -22.1 12.8 86 86 A S T < S+ 0 0 4 -3,-2.6 -1,-0.2 -6,-0.3 -2,-0.1 0.770 90.6 34.7 -66.6 -28.4 25.0 -23.3 16.4 87 87 A E T 3 S+ 0 0 63 -3,-0.3 2,-0.9 -4,-0.3 -1,-0.3 0.178 89.7 116.2-108.1 12.6 22.0 -25.7 15.8 88 88 A N <> - 0 0 57 -3,-1.3 4,-2.0 1,-0.2 5,-0.1 -0.766 43.0-173.6 -86.8 103.6 23.1 -26.5 12.3 89 89 A A H > S+ 0 0 11 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.805 83.8 55.8 -67.1 -34.6 23.9 -30.2 12.2 90 90 A N H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.887 108.6 48.7 -66.1 -39.5 25.2 -30.2 8.7 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 111.2 48.4 -61.9 -50.1 27.7 -27.4 9.7 92 92 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.872 112.3 50.5 -59.2 -39.8 28.9 -29.3 12.7 93 93 A E H X S+ 0 0 72 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.916 110.9 48.1 -62.3 -48.0 29.2 -32.4 10.5 94 94 A Q H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.879 109.7 53.7 -59.3 -42.7 31.3 -30.4 7.9 95 95 A V H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.3 0.947 114.5 39.3 -56.5 -54.5 33.5 -29.0 10.7 96 96 A E H ><5S+ 0 0 71 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.888 114.1 55.4 -63.7 -40.8 34.4 -32.4 12.1 97 97 A R H 3<5S+ 0 0 161 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.855 106.3 51.7 -57.7 -38.9 34.6 -33.8 8.5 98 98 A S T 3<5S- 0 0 49 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.486 126.4-103.0 -80.7 -4.8 37.2 -31.0 7.7 99 99 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.509 81.4 120.6 98.5 7.3 39.2 -32.1 10.8 100 100 A F < - 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