==== 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 LYASE 22-JAN-08 2ZGI . COMPND 2 MOLECULE: PUTATIVE 4-AMINO-4-DEOXYCHORISMATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.PADMANABHAN,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL . 980 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 688 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 206 21.0 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 . 77 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 2 5 1 4 0 0 0 2 7 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 4 4 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 . 5 7 9 8 4 0 1 7 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 3 1 4 0 4 0 0 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 X 0 0 102 0, 0.0 830,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.6 -37.0 -7.2 18.1 2 2 A R E -A 830 0A 50 828,-0.2 7,-3.0 7,-0.2 2,-0.4 -0.994 360.0-162.8-139.5 123.9 -34.6 -9.0 20.4 3 3 A L E -AB 829 8A 6 826,-3.6 826,-1.9 -2,-0.4 2,-0.5 -0.930 7.8-161.5-113.7 132.2 -33.7 -12.7 20.3 4 4 A L E > S-AB 828 7A 24 3,-3.2 3,-2.2 -2,-0.4 824,-0.2 -0.949 84.0 -24.8-107.8 117.6 -32.1 -14.9 23.0 5 5 A N T 3 S- 0 0 82 822,-2.8 -1,-0.2 -2,-0.5 823,-0.1 0.853 131.7 -45.0 43.5 42.1 -30.6 -18.1 21.6 6 6 A G T 3 S+ 0 0 35 821,-0.4 -1,-0.3 1,-0.2 822,-0.1 0.203 121.0 104.7 97.1 -13.0 -33.1 -17.9 18.7 7 7 A T E < S-B 4 0A 92 -3,-2.2 -3,-3.2 1,-0.1 -1,-0.2 -0.875 78.8-104.8-111.0 129.8 -36.1 -17.0 20.8 8 8 A P E -B 3 0A 96 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.126 39.0-156.9 -48.0 138.2 -37.8 -13.6 21.2 9 9 A L - 0 0 33 -7,-3.0 2,-0.3 0, 0.0 -7,-0.2 -0.988 0.5-145.5-130.3 126.0 -37.0 -12.1 24.6 10 10 A A - 0 0 67 -2,-0.4 -7,-0.0 -9,-0.1 0, 0.0 -0.616 30.1 -88.2 -90.8 145.7 -38.9 -9.4 26.4 11 11 A L + 0 0 136 -2,-0.3 2,-1.4 1,-0.2 -1,-0.0 0.677 59.9 135.7 12.4-125.6 -37.8 -6.6 28.7 12 12 A A S S+ 0 0 62 736,-0.0 -1,-0.2 737,-0.0 736,-0.0 -0.510 71.3 35.7 84.0 -67.1 -37.4 -7.3 32.4 13 13 A L S S- 0 0 15 -2,-1.4 75,-0.1 76,-0.0 5,-0.0 -0.927 92.2 -99.7-120.1 145.3 -34.1 -5.6 33.2 14 14 A P > - 0 0 52 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.205 26.5-122.0 -61.5 152.1 -32.8 -2.3 31.8 15 15 A E H >>S+ 0 0 75 1,-0.2 4,-3.6 2,-0.2 5,-0.6 0.913 110.4 55.9 -58.4 -48.3 -30.2 -2.3 29.0 16 16 A A H >5S+ 0 0 19 1,-0.2 6,-1.6 2,-0.2 4,-1.4 0.893 111.2 45.8 -51.8 -42.9 -27.6 -0.3 31.0 17 17 A F H 45S+ 0 0 2 4,-0.2 4,-0.4 70,-0.2 -1,-0.2 0.894 121.6 35.3 -68.6 -43.4 -27.8 -2.9 33.8 18 18 A L H <5S+ 0 0 4 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.874 127.9 31.0 -81.3 -44.6 -27.6 -6.0 31.5 19 19 A Y H <5S+ 0 0 4 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.646 125.1 36.6 -94.2 -18.8 -25.2 -4.8 28.7 20 20 A H S < S-GI 78 34B 35 3,-2.9 3,-1.1 -2,-0.5 47,-0.2 -0.994 71.3 -2.5-127.4 134.7 -25.2 -17.1 59.9 32 32 A G T 3 S- 0 0 76 45,-1.2 -1,-0.1 -2,-0.4 46,-0.1 0.815 132.6 -58.1 51.3 34.7 -27.9 -18.4 62.2 33 33 A G T 3 S+ 0 0 50 44,-0.5 -1,-0.2 1,-0.2 45,-0.1 0.779 119.3 109.6 69.0 27.4 -30.4 -16.4 60.1 34 34 A R E < -I 31 0B 188 -3,-1.1 -3,-2.9 36,-0.0 -1,-0.2 -0.987 67.8-127.9-136.0 123.9 -28.5 -13.2 60.8 35 35 A P E > -I 30 0B 22 0, 0.0 3,-0.7 0, 0.0 2,-0.5 -0.441 28.3-115.2 -72.0 141.5 -26.5 -11.3 58.2 36 36 A L T 3 S- 0 0 33 -7,-2.9 -7,-0.2 1,-0.2 5,-0.1 -0.686 87.6 -13.6 -82.1 125.6 -22.9 -10.4 59.1 37 37 A W T 3> S+ 0 0 64 -2,-0.5 4,-2.0 1,-0.1 -1,-0.2 0.887 76.8 169.7 55.7 48.6 -22.2 -6.7 59.3 38 38 A L H <> S+ 0 0 17 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.910 71.9 51.6 -55.6 -45.1 -25.4 -5.7 57.7 39 39 A E H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.914 108.4 50.5 -62.6 -42.3 -25.0 -2.0 58.5 40 40 A E H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 111.5 49.1 -62.5 -44.5 -21.5 -1.8 57.1 41 41 A H H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.907 113.5 44.8 -61.5 -47.1 -22.5 -3.4 53.8 42 42 A L H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 112.5 52.0 -68.1 -39.6 -25.5 -1.1 53.3 43 43 A A H X S+ 0 0 42 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.936 114.4 43.4 -62.4 -44.8 -23.5 1.9 54.3 44 44 A R H X S+ 0 0 9 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.918 112.7 51.4 -62.8 -45.2 -20.8 1.0 51.7 45 45 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.884 109.8 50.5 -61.5 -40.9 -23.4 0.0 49.0 46 46 A R H X S+ 0 0 119 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.928 110.6 49.3 -63.9 -45.1 -25.1 3.4 49.5 47 47 A R H X S+ 0 0 78 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.921 112.6 47.3 -60.1 -44.8 -21.7 5.2 49.1 48 48 A H H X S+ 0 0 13 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.878 111.4 50.4 -64.7 -40.1 -20.8 3.3 45.9 49 49 A A H <>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.2 3,-0.4 0.954 113.0 46.3 -62.9 -49.3 -24.3 3.9 44.3 50 50 A L H ><5S+ 0 0 87 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.878 108.9 54.3 -63.3 -40.3 -24.1 7.6 45.0 51 51 A A H 3<5S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.5 45.1 -65.3 -28.4 -20.5 7.9 43.7 52 52 A L T 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.315 121.4-105.4 -99.0 10.3 -21.6 6.3 40.4 53 53 A G T < 5S+ 0 0 58 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.762 74.3 137.5 77.9 24.6 -24.8 8.4 40.1 54 54 A L < - 0 0 20 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.3 -0.840 57.9-117.0 -99.4 139.9 -27.2 5.6 41.0 55 55 A S - 0 0 103 -2,-0.4 33,-0.1 31,-0.0 31,-0.1 -0.572 27.6-130.9 -69.9 134.3 -30.2 6.3 43.4 56 56 A Y - 0 0 37 -2,-0.3 3,-0.1 1,-0.1 34,-0.1 -0.823 7.9-140.3 -90.6 130.2 -29.8 4.2 46.5 57 57 A P - 0 0 50 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.654 46.3-109.6 -63.6 -21.4 -33.1 2.4 47.3 58 58 A G > - 0 0 23 2,-0.1 4,-1.2 1,-0.1 3,-0.4 0.104 22.9 -92.3 98.8 146.4 -32.8 3.0 51.1 59 59 A D H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 120.2 61.6 -57.6 -43.0 -32.1 0.6 53.9 60 60 A E H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.883 100.7 54.0 -54.6 -42.8 -35.8 -0.2 54.6 61 61 A A H > S+ 0 0 20 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.904 111.6 44.6 -58.6 -44.4 -36.2 -1.6 51.1 62 62 A F H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.870 110.9 53.8 -68.6 -36.6 -33.3 -4.0 51.6 63 63 A L H X S+ 0 0 52 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.912 108.0 51.0 -63.1 -42.2 -34.6 -4.9 55.1 64 64 A E H X S+ 0 0 125 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.927 110.6 48.3 -55.6 -47.9 -37.9 -5.8 53.5 65 65 A D H >X S+ 0 0 3 -4,-2.0 4,-2.7 1,-0.2 3,-0.5 0.892 108.1 55.8 -60.6 -40.7 -36.1 -7.9 50.9 66 66 A L H 3X S+ 0 0 11 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.835 96.5 64.0 -61.7 -37.8 -34.1 -9.6 53.8 67 67 A E H 3< S+ 0 0 127 -4,-1.8 4,-0.3 -3,-0.2 -1,-0.2 0.886 113.0 35.2 -53.0 -43.8 -37.3 -10.6 55.6 68 68 A A H X< S+ 0 0 29 -4,-1.0 3,-1.3 -3,-0.5 -2,-0.2 0.944 118.0 50.9 -76.4 -51.7 -38.2 -12.8 52.6 69 69 A L H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 4,-0.3 0.856 99.1 63.8 -54.0 -42.6 -34.7 -14.0 51.7 70 70 A L T 3< S+ 0 0 49 -4,-2.9 3,-0.2 1,-0.3 -1,-0.2 0.741 107.9 43.2 -61.1 -21.7 -33.6 -15.1 55.2 71 71 A R T < S+ 0 0 179 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.284 85.8 99.0-100.7 5.6 -36.3 -17.8 55.1 72 72 A A S < S+ 0 0 29 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.741 91.9 28.6 -72.4 -24.8 -35.6 -18.9 51.6 73 73 A F > + 0 0 63 -4,-0.3 3,-2.1 -3,-0.2 -1,-0.3 -0.535 66.2 175.8-136.2 71.3 -33.5 -22.0 52.5 74 74 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.701 77.0 55.5 -52.2 -27.8 -34.6 -23.3 55.9 75 75 A K T 3 S+ 0 0 208 3,-0.0 3,-0.1 2,-0.0 -2,-0.0 0.529 87.2 90.6 -87.5 -6.8 -32.2 -26.4 55.9 76 76 A A < - 0 0 30 -3,-2.1 -3,-0.1 1,-0.1 22,-0.1 -0.808 66.4-147.9 -93.0 126.9 -29.0 -24.4 55.3 77 77 A P S S+ 0 0 82 0, 0.0 -45,-1.2 0, 0.0 -44,-0.5 0.864 85.3 21.3 -47.8 -41.8 -26.9 -23.3 58.4 78 78 A a E -G 31 0B 3 19,-0.3 19,-2.0 165,-0.2 2,-0.3 -0.893 67.9-148.6-135.3 160.4 -25.8 -20.2 56.3 79 79 A L E -GJ 30 96B 9 -49,-1.9 -49,-3.0 -2,-0.3 2,-0.6 -0.960 13.1-137.7-128.0 144.4 -26.7 -18.1 53.3 80 80 A R E -GJ 29 95B 94 15,-3.0 15,-1.6 -2,-0.3 2,-0.3 -0.927 30.0-167.9 -95.6 125.5 -24.9 -16.1 50.6 81 81 A L E -GJ 28 94B 0 -53,-3.2 -53,-1.7 -2,-0.6 2,-0.4 -0.860 10.2-167.7-113.6 144.1 -26.7 -12.9 50.0 82 82 A R E -GJ 27 93B 20 11,-2.1 11,-2.1 -2,-0.3 2,-0.5 -0.993 3.8-166.9-132.3 131.9 -26.2 -10.4 47.2 83 83 A F E -GJ 26 92B 0 -57,-2.7 -57,-1.9 -2,-0.4 2,-0.4 -0.973 14.6-174.8-113.5 122.6 -27.6 -6.9 47.1 84 84 A T E -GJ 25 91B 0 7,-2.8 7,-2.8 -2,-0.5 2,-0.5 -0.969 8.2-165.2-128.3 130.6 -27.3 -5.2 43.7 85 85 A V E +GJ 24 90B 1 -61,-3.1 -61,-2.4 -2,-0.4 2,-0.3 -0.961 19.2 150.2-120.1 128.3 -28.2 -1.6 42.7 86 86 A G E > - J 0 89B 4 3,-2.5 3,-1.8 -2,-0.5 2,-0.3 -0.833 60.4 -68.3-139.5 172.1 -28.7 -0.3 39.1 87 87 A E T 3 S+ 0 0 125 -65,-0.5 -70,-0.2 1,-0.3 3,-0.1 -0.541 126.8 1.7 -66.0 126.0 -30.8 2.5 37.7 88 88 A G T 3 S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.429 119.8 105.0 74.8 2.6 -34.5 1.2 38.0 89 89 A V E < +J 86 0B 7 -3,-1.8 -3,-2.5 2,-0.0 2,-0.5 -0.962 37.1 167.8-135.2 116.4 -33.1 -1.9 39.7 90 90 A R E -J 85 0B 36 -2,-0.4 652,-3.4 -5,-0.2 2,-0.6 -0.964 21.8-178.8-118.4 108.8 -33.0 -3.3 43.3 91 91 A L E +JK 84 741B 0 -7,-2.8 -7,-2.8 -2,-0.5 2,-0.4 -0.951 3.3 175.0-117.3 113.8 -31.9 -6.9 42.9 92 92 A S E +JK 83 740B 0 648,-2.4 648,-3.1 -2,-0.6 2,-0.3 -0.975 7.2 168.0-125.2 129.0 -31.7 -8.9 46.1 93 93 A E E -JK 82 739B 6 -11,-2.1 -11,-2.1 -2,-0.4 2,-0.3 -0.927 18.6-161.0-143.5 163.9 -30.9 -12.7 46.3 94 94 A A E +J 81 0B 3 644,-2.1 -13,-0.2 -2,-0.3 -15,-0.0 -0.984 10.9 169.1-143.7 146.6 -30.0 -15.6 48.5 95 95 A R E -J 80 0B 82 -15,-1.6 -15,-3.0 -2,-0.3 -22,-0.1 -0.950 48.1 -78.6-148.3 159.9 -28.6 -19.1 48.0 96 96 A P E -J 79 0B 66 0, 0.0 2,-0.4 0, 0.0 -17,-0.3 -0.379 45.4-128.1 -56.7 136.9 -27.2 -21.7 50.4 97 97 A Y - 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