==== 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 27-SEP-06 2DZD . COMPND 2 MOLECULE: PYRUVATE CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS THERMODENITRIFICANS; . AUTHOR S.KONDO,Y.NAKAJIMA,S.SUGIO,S.SUEDA,M.N.ISLAM,H.KONDO . 912 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 644 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 16.9 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 2 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 . 67 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 5 0 1 2 1 7 3 2 0 2 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 . 2 4 4 4 4 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 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 3 A T 0 0 168 0, 0.0 2,-0.2 0, 0.0 320,-0.0 0.000 360.0 360.0 360.0 148.2 59.1 19.3 14.0 2 4 A R + 0 0 47 1,-0.2 318,-0.1 318,-0.1 317,-0.0 -0.523 360.0 172.2 -60.9 128.6 57.5 18.0 17.2 3 5 A R + 0 0 147 -2,-0.2 2,-0.8 316,-0.1 -1,-0.2 0.617 40.2 103.6-109.8 -21.3 56.3 21.1 19.1 4 6 A I + 0 0 7 1,-0.2 3,-0.1 311,-0.1 74,-0.1 -0.560 23.9 146.1 -85.2 105.2 54.3 19.6 21.9 5 7 A R S S+ 0 0 35 -2,-0.8 24,-2.0 1,-0.3 2,-0.4 0.802 73.0 26.1 -97.0 -42.9 56.2 19.7 25.3 6 8 A K E -a 29 0A 15 71,-0.3 73,-2.2 22,-0.2 74,-1.0 -0.978 66.6-161.9-129.5 136.9 53.2 20.3 27.5 7 9 A V E -ab 30 80A 0 22,-3.0 24,-2.0 -2,-0.4 2,-0.5 -0.950 5.0-155.6-120.1 138.5 49.5 19.4 27.1 8 10 A L E -ab 31 81A 0 72,-2.0 74,-2.0 -2,-0.4 2,-0.7 -0.936 11.1-146.9-106.5 129.6 46.4 20.7 28.9 9 11 A V E -ab 32 82A 0 22,-2.2 2,-1.6 -2,-0.5 24,-0.7 -0.860 3.9-156.2 -95.4 115.2 43.3 18.6 29.1 10 12 A A + 0 0 3 72,-2.1 78,-0.4 -2,-0.7 2,-0.3 -0.595 67.4 59.5 -87.7 76.0 40.2 20.8 29.0 11 13 A N S S- 0 0 4 -2,-1.6 22,-0.5 22,-0.2 2,-0.3 -0.914 70.1-122.6-175.1-166.2 38.0 18.3 30.7 12 14 A R >> + 0 0 13 -2,-0.3 4,-0.7 20,-0.1 3,-0.6 -0.922 55.3 20.8-151.2 169.7 37.5 16.3 33.9 13 15 A G H >> S- 0 0 0 -2,-0.3 4,-2.2 1,-0.2 3,-1.0 -0.100 110.9 -10.5 66.4-156.8 37.1 12.8 35.3 14 16 A E H 3> S+ 0 0 1 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.807 132.6 52.1 -54.0 -40.0 38.1 9.5 33.7 15 17 A I H <> S+ 0 0 1 -3,-0.6 4,-1.6 2,-0.2 -1,-0.3 0.826 109.4 50.2 -72.4 -30.4 38.9 10.9 30.2 16 18 A A H S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-0.5 0.942 111.6 47.6 -66.7 -51.8 51.0 12.2 27.9 24 26 A T H ><5S+ 0 0 24 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.933 110.4 54.5 -57.8 -47.2 53.2 11.0 30.6 25 27 A E H 3<5S+ 0 0 43 -4,-3.1 806,-0.4 1,-0.3 -1,-0.3 0.828 109.5 47.3 -52.2 -37.6 53.9 7.9 28.5 26 28 A L H 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.427 120.9-107.4 -89.2 -1.7 55.0 10.1 25.6 27 29 A G T <<5S+ 0 0 35 -3,-1.6 2,-0.4 -4,-0.5 796,-0.3 0.660 75.1 137.1 88.4 15.7 57.2 12.2 27.8 28 30 A I < - 0 0 7 -5,-2.8 -1,-0.3 -6,-0.2 -22,-0.2 -0.812 52.7-124.4-102.3 134.4 54.8 15.2 27.7 29 31 A R E -a 6 0A 50 -24,-2.0 -22,-3.0 -2,-0.4 2,-0.3 -0.365 29.6-135.9 -70.5 156.4 54.0 17.3 30.8 30 32 A T E -a 7 0A 0 -24,-0.2 19,-0.5 -2,-0.1 2,-0.4 -0.857 16.8-164.6-122.6 151.4 50.3 17.7 31.8 31 33 A V E -a 8 0A 0 -24,-2.0 -22,-2.2 -2,-0.3 2,-0.3 -0.952 9.9-169.1-133.7 120.3 47.9 20.4 32.9 32 34 A A E -ac 9 50A 0 17,-2.1 19,-2.4 -2,-0.4 2,-0.3 -0.725 6.7-153.6 -98.0 151.7 44.5 19.8 34.5 33 35 A I E - c 0 51A 0 -24,-0.7 2,-0.3 -22,-0.5 19,-0.2 -0.920 13.3-175.5-116.8 151.4 41.8 22.3 35.1 34 36 A Y E - c 0 52A 30 17,-1.5 19,-2.3 -2,-0.3 2,-0.2 -0.992 18.6-134.1-142.4 150.8 39.1 22.0 37.8 35 37 A S > - 0 0 1 -2,-0.3 3,-1.7 17,-0.2 19,-0.1 -0.534 41.2 -99.9 -90.3 167.5 36.0 24.0 38.9 36 38 A K G > S+ 0 0 99 17,-0.3 3,-1.8 1,-0.3 4,-0.2 0.903 128.9 60.8 -50.2 -40.3 35.3 24.8 42.6 37 39 A E G 3 S+ 0 0 59 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.789 106.5 45.7 -57.1 -29.8 33.0 21.8 42.3 38 40 A D G X S+ 0 0 7 -3,-1.7 3,-1.5 1,-0.2 -1,-0.3 0.037 70.1 114.3-106.9 25.5 36.0 19.7 41.5 39 41 A V T < S+ 0 0 74 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.734 91.5 38.9 -65.8 -18.9 38.4 20.8 44.1 40 42 A G T 3 S+ 0 0 53 -3,-0.4 -1,-0.3 -4,-0.2 346,-0.3 0.222 90.8 125.4-110.4 13.4 38.1 17.3 45.5 41 43 A S X - 0 0 3 -3,-1.5 3,-0.8 1,-0.1 4,-0.4 -0.499 64.3-129.5 -79.3 143.8 38.0 15.5 42.1 42 44 A Y T >> S+ 0 0 21 1,-0.2 3,-1.5 337,-0.2 4,-0.6 0.854 102.4 61.4 -57.0 -38.3 40.5 12.7 41.4 43 45 A H H >> S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.805 88.1 69.5 -68.6 -30.0 41.6 14.2 38.1 44 46 A R H <4 S+ 0 0 66 -3,-0.8 -1,-0.3 -6,-0.2 3,-0.3 0.804 105.4 43.5 -51.8 -30.0 43.0 17.4 39.6 45 47 A Y H <4 S+ 0 0 134 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.590 99.5 67.1 -98.6 -12.2 45.7 15.4 41.2 46 48 A K H << S+ 0 0 51 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 0.513 88.5 82.0 -90.0 -5.6 46.7 13.1 38.3 47 49 A A S < S- 0 0 12 -4,-0.6 3,-0.1 -3,-0.3 -16,-0.1 -0.676 90.9-116.5 -95.7 155.6 48.1 16.0 36.3 48 50 A D S S- 0 0 35 -2,-0.3 2,-0.3 1,-0.2 -17,-0.2 0.748 99.9 -1.3 -62.1 -23.6 51.6 17.5 36.7 49 51 A E S S- 0 0 50 -19,-0.5 -17,-2.1 2,-0.0 2,-0.4 -0.933 71.0-149.8-166.8 145.4 49.8 20.7 37.8 50 52 A A E -c 32 0A 14 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.934 5.6-167.1-128.6 143.7 46.3 21.9 38.1 51 53 A Y E -c 33 0A 58 -19,-2.4 -17,-1.5 -2,-0.4 2,-0.2 -0.993 26.0-118.5-132.3 136.2 44.5 25.3 37.8 52 54 A L E -c 34 0A 51 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.494 36.5-164.4 -68.5 130.7 41.0 26.4 38.8 53 55 A V + 0 0 4 -19,-2.3 -17,-0.3 -2,-0.2 9,-0.1 -0.798 55.7 16.1-117.2 159.4 38.9 27.5 35.8 54 56 A G S > S- 0 0 6 -2,-0.3 3,-1.8 11,-0.2 -1,-0.2 0.795 75.2-163.2 57.5 36.7 35.7 29.4 35.2 55 57 A E T 3 S+ 0 0 118 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.249 72.3 15.0 -55.2 133.4 35.6 30.9 38.7 56 58 A G T 3 S+ 0 0 74 1,-0.4 -1,-0.3 0, 0.0 -2,-0.1 0.160 105.5 108.8 86.8 -20.5 32.2 32.3 39.7 57 59 A K S < S- 0 0 94 -3,-1.8 -1,-0.4 1,-0.1 -4,-0.0 -0.239 80.0 -86.2 -74.0 174.4 30.6 30.4 36.8 58 60 A K > - 0 0 136 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.331 44.0 -96.0 -81.9 167.3 28.4 27.4 37.3 59 61 A P T 4 S+ 0 0 23 0, 0.0 4,-0.2 0, 0.0 -21,-0.1 0.900 124.7 31.4 -51.9 -53.8 29.6 23.8 37.6 60 62 A I T >4 S+ 0 0 78 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.869 117.7 57.3 -70.3 -38.9 29.1 22.9 33.9 61 63 A E G >> S+ 0 0 83 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.846 92.6 67.8 -64.9 -34.7 29.8 26.4 32.7 62 64 A A G 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.1 0.642 101.7 48.2 -65.3 -14.7 33.3 26.6 34.3 63 65 A Y G <4 S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.548 107.9 55.1 -97.5 -10.5 34.4 24.0 31.8 64 66 A L T <4 S+ 0 0 63 -3,-1.9 2,-2.8 -4,-0.4 -2,-0.2 0.422 73.1 119.9 -97.0 -4.1 32.9 25.8 28.9 65 67 A D X + 0 0 29 -4,-0.6 4,-2.6 1,-0.2 3,-0.2 -0.346 38.8 176.7 -65.2 75.6 34.8 28.9 29.9 66 68 A I H > S+ 0 0 25 -2,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.844 74.9 45.6 -50.9 -42.5 36.7 29.1 26.5 67 69 A E H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.847 113.8 47.5 -76.7 -33.6 38.5 32.4 27.3 68 70 A G H > S+ 0 0 8 -3,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.856 111.2 52.0 -73.0 -35.5 39.6 31.4 30.8 69 71 A I H >X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 3,-0.9 0.975 112.4 44.5 -61.1 -54.4 40.8 28.0 29.6 70 72 A I H 3X S+ 0 0 2 -4,-1.9 4,-2.2 1,-0.3 5,-0.3 0.818 107.4 59.6 -59.7 -33.5 42.9 29.6 26.9 71 73 A E H 3X S+ 0 0 130 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.819 107.6 47.9 -63.1 -30.6 44.1 32.2 29.4 72 74 A I H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-1.1 0.964 113.7 42.9 -54.5 -56.8 47.2 27.5 28.4 74 76 A K H ><5S+ 0 0 108 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.801 110.9 58.4 -60.8 -30.2 49.1 30.7 27.4 75 77 A A H 3<5S+ 0 0 63 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.719 114.1 35.1 -75.5 -21.8 49.9 31.4 31.1 76 78 A H T <<5S- 0 0 56 -4,-1.2 -1,-0.2 -3,-1.1 -2,-0.2 -0.086 114.9 -97.6-129.5 37.4 51.7 28.1 31.6 77 79 A D T < 5 + 0 0 90 -3,-0.7 2,-0.4 1,-0.2 -71,-0.3 0.831 58.1 172.4 57.3 41.1 53.5 27.2 28.3 78 80 A V < - 0 0 7 -5,-2.2 -1,-0.2 -6,-0.2 -71,-0.2 -0.677 19.1-174.5 -84.1 132.9 50.9 24.9 26.9 79 81 A D + 0 0 36 -73,-2.2 25,-2.9 -2,-0.4 2,-0.3 0.711 68.4 9.1 -95.4 -27.4 51.4 23.8 23.3 80 82 A A E -bd 7 104A 0 -74,-1.0 -72,-2.0 23,-0.2 2,-0.5 -0.995 61.0-140.4-156.9 147.9 48.2 21.9 22.7 81 83 A I E -bd 8 105A 0 23,-2.6 25,-1.9 -2,-0.3 -72,-0.2 -0.955 8.7-151.7-115.1 127.6 44.8 21.2 24.4 82 84 A H E -b 9 0A 1 -74,-2.0 -72,-2.1 -2,-0.5 25,-0.1 -0.892 5.5-166.1 -93.7 124.6 43.1 17.8 24.4 83 85 A P - 0 0 4 0, 0.0 6,-0.5 0, 0.0 4,-0.3 0.297 15.8-162.3 -89.0 3.3 39.3 18.4 24.6 84 86 A G - 0 0 1 -69,-0.1 211,-0.6 4,-0.1 2,-0.3 -0.206 43.8 -50.6 49.9-130.1 38.5 14.7 25.5 85 87 A Y S S+ 0 0 30 209,-0.1 3,-0.1 1,-0.1 211,-0.1 -0.963 106.7 20.5-131.8 154.9 34.8 14.2 24.8 86 88 A G S S+ 0 0 51 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.694 104.8 57.9 71.5 26.7 31.5 15.9 25.7 87 89 A F S S- 0 0 58 -4,-0.3 3,-0.2 -77,-0.0 -1,-0.2 0.147 125.8 -19.8-136.5 -85.6 32.3 19.4 26.6 88 90 A L S > S+ 0 0 7 -78,-0.4 3,-2.0 -5,-0.3 7,-0.2 0.320 101.9 110.0-105.0 1.7 34.1 21.7 24.1 89 91 A S T 3 S+ 0 0 2 -6,-0.5 -1,-0.1 1,-0.3 -5,-0.1 0.674 90.7 29.3 -53.5 -22.4 35.4 18.7 22.1 90 92 A E T 3 S+ 0 0 85 -3,-0.2 2,-0.6 -7,-0.1 -1,-0.3 0.287 91.4 122.4-119.6 6.6 33.1 19.5 19.2 91 93 A N <> - 0 0 58 -3,-2.0 4,-1.7 1,-0.2 3,-0.1 -0.624 47.2-160.0 -82.5 116.1 32.9 23.3 19.7 92 94 A I H > S+ 0 0 59 -2,-0.6 4,-2.1 1,-0.2 5,-0.3 0.894 89.4 57.1 -60.1 -44.3 34.1 25.3 16.6 93 95 A Q H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 106.2 50.3 -55.8 -45.5 34.7 28.5 18.6 94 96 A F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.966 109.6 49.7 -56.8 -56.4 37.2 26.7 20.9 95 97 A A H X S+ 0 0 4 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.875 113.3 43.8 -54.9 -46.9 39.2 25.1 18.1 96 98 A K H X S+ 0 0 72 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.853 110.9 54.7 -73.3 -32.8 39.7 28.3 16.1 97 99 A R H X S+ 0 0 32 -4,-2.0 4,-2.8 -5,-0.3 6,-0.3 0.942 108.0 50.5 -61.4 -47.6 40.5 30.3 19.2 98 100 A C H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.928 109.8 51.7 -49.2 -46.9 43.2 27.8 20.0 99 101 A R H ><5S+ 0 0 147 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.875 109.9 47.7 -63.9 -36.9 44.4 28.2 16.4 100 102 A E H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.931 111.2 50.0 -69.4 -43.8 44.6 32.0 16.8 101 103 A E T 3<5S- 0 0 59 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.438 117.4-114.6 -75.2 2.6 46.5 31.8 20.1 102 104 A G T < 5S+ 0 0 49 -3,-0.7 2,-0.5 -4,-0.3 -3,-0.2 0.639 72.0 138.0 72.0 13.6 48.9 29.4 18.4 103 105 A I < - 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0 0 15 -3,-1.3 3,-1.5 1,-0.1 -1,-0.1 -0.683 55.5-179.3-145.0 83.7 86.4 -2.1 21.6 909 456 B P G > S+ 0 0 95 0, 0.0 3,-2.6 0, 0.0 4,-0.3 0.802 71.2 74.2 -56.7 -37.6 88.2 1.2 22.4 910 457 B E G > S+ 0 0 101 1,-0.3 3,-1.9 2,-0.2 -22,-0.0 0.750 78.6 78.1 -51.0 -25.5 86.4 3.4 19.9 911 458 B L G < S+ 0 0 3 -3,-1.5 -1,-0.3 1,-0.3 -22,-0.2 0.639 94.5 49.3 -62.0 -12.4 83.3 3.3 22.2 912 459 B F G < S+ 0 0 80 -3,-2.6 2,-0.3 -4,-0.1 -1,-0.3 0.386 87.4 95.5-113.5 0.1 85.0 5.8 24.4 913 460 B V < 0 0 102 -3,-1.9 -25,-0.1 -4,-0.3 0, 0.0 -0.717 360.0 360.0 -84.5 144.0 86.0 8.4 21.7 914 461 B F 0 0 124 -2,-0.3 -1,-0.2 -106,-0.0 -106,-0.0 0.690 360.0 360.0-128.2 360.0 83.6 11.2 21.3