==== 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 12-APR-00 1ET0 . COMPND 2 MOLECULE: 4-AMINO-4-DEOXYCHORISMATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.NAKAI,H.MIZUTANI,I.MIYAHARA,K.HIROTSU,S.TAKEDA,K.H.JHEE, . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 1 0 0 0 0 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 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 . 3 3 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 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 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 7 A M 0 0 121 0, 0.0 2,-0.4 0, 0.0 105,-0.4 0.000 360.0 360.0 360.0 109.4 -4.3 11.6 39.4 2 8 A F E -A 9 0A 85 7,-0.6 7,-2.8 103,-0.1 2,-0.7 -0.975 360.0-145.4-132.6 141.8 -1.3 10.9 41.5 3 9 A L E +AB 8 104A 20 101,-2.3 101,-2.3 -2,-0.4 2,-0.5 -0.957 26.9 178.3-108.0 109.6 2.2 12.4 41.1 4 10 A I E > -AB 7 103A 6 3,-2.3 3,-0.7 -2,-0.7 99,-0.2 -0.967 63.6 -19.5-119.3 120.0 4.6 9.6 42.1 5 11 A N T 3 S- 0 0 74 97,-1.6 -1,-0.1 -2,-0.5 98,-0.1 0.801 131.5 -40.9 57.4 35.1 8.4 10.2 41.9 6 12 A G T 3 S+ 0 0 44 96,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.562 124.2 66.7 95.8 7.8 8.2 13.1 39.5 7 13 A H E < S-A 4 0A 100 -3,-0.7 -3,-2.3 2,-0.0 -1,-0.1 -0.988 88.2 -85.0-160.1 150.8 5.5 12.0 37.1 8 14 A K E +A 3 0A 157 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.324 50.4 169.6 -58.6 129.1 1.8 11.3 36.9 9 15 A Q E -A 2 0A 59 -7,-2.8 -7,-0.6 1,-0.1 3,-0.1 -0.995 29.2-168.2-144.0 141.0 1.0 7.7 37.9 10 20 A E S S+ 0 0 181 -2,-0.3 2,-0.3 -9,-0.1 -1,-0.1 0.729 77.5 36.3 -98.4 -28.6 -2.3 6.0 38.6 11 21 A S - 0 0 87 -9,-0.1 2,-0.3 -7,-0.0 -1,-0.1 -0.819 65.3-146.3-127.4 163.3 -0.9 2.8 40.2 12 22 A L - 0 0 59 -2,-0.3 2,-0.1 -3,-0.1 4,-0.0 -0.931 37.3 -89.6-127.5 149.4 2.0 1.8 42.5 13 23 A A > - 0 0 55 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.363 30.8-135.9 -59.0 132.5 4.2 -1.4 42.6 14 24 A V T 3 S+ 0 0 111 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.811 101.2 67.4 -60.3 -31.8 2.6 -4.0 44.9 15 25 A S T 3 S+ 0 0 65 4,-0.1 -1,-0.3 5,-0.0 73,-0.3 0.461 72.6 122.3 -68.9 -3.7 6.0 -4.7 46.4 16 26 A D X> - 0 0 2 -3,-1.7 4,-1.8 71,-0.1 3,-1.0 -0.458 66.9-134.3 -65.9 131.7 6.0 -1.2 47.9 17 27 A R H 3>>S+ 0 0 8 69,-2.3 4,-3.0 1,-0.3 6,-1.8 0.652 103.1 65.9 -62.1 -18.4 6.4 -1.4 51.7 18 28 A A H 3>5S+ 0 0 22 4,-0.3 4,-1.2 3,-0.2 -1,-0.3 0.920 109.6 40.2 -67.9 -40.1 3.6 1.1 52.3 19 29 A T H <45S+ 0 0 87 -3,-1.0 -2,-0.2 -6,-0.2 -1,-0.2 0.864 120.5 45.2 -72.7 -39.5 1.3 -1.5 50.8 20 30 A Q H <5S- 0 0 97 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.936 140.4 -5.9 -71.2 -52.4 3.1 -4.4 52.6 21 31 A F H <5S- 0 0 73 -4,-3.0 -3,-0.2 -5,-0.1 3,-0.2 0.221 91.0-106.2-131.7 14.1 3.5 -3.0 56.2 22 32 A G << + 0 0 15 -4,-1.2 2,-1.5 -5,-0.5 109,-0.5 0.898 58.1 175.2 58.1 36.4 2.2 0.7 56.0 23 33 A D + 0 0 21 -6,-1.8 62,-2.0 108,-0.1 2,-0.3 -0.590 41.8 40.7 -81.9 84.1 6.0 1.4 56.3 24 34 A G E S-C 84 0A 1 -2,-1.5 107,-2.1 60,-0.2 108,-0.3 -0.968 73.7-102.1 171.0-160.9 6.1 5.2 55.9 25 35 A C E -CD 83 130A 0 58,-2.4 58,-2.4 105,-0.3 2,-0.3 -0.853 22.6-166.6-145.3 176.4 4.4 8.5 56.8 26 36 A F E -C 82 0A 24 103,-2.3 2,-0.3 -2,-0.3 56,-0.2 -0.977 9.0-150.5-161.4 169.9 2.1 11.2 55.4 27 37 A T E -C 81 0A 0 54,-2.0 54,-2.4 -2,-0.3 2,-0.5 -0.988 8.0-150.2-150.9 140.6 0.7 14.7 55.8 28 38 A T E -C 80 0A 34 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.978 23.1-168.7-115.8 121.4 -2.6 16.3 54.8 29 39 A A E -C 79 0A 1 50,-3.0 50,-2.8 -2,-0.5 2,-0.3 -0.840 22.0-121.6-117.0 150.5 -2.4 20.0 54.0 30 40 A R E -C 78 0A 68 -2,-0.3 7,-2.5 7,-0.3 2,-0.5 -0.664 22.5-156.2 -85.3 131.4 -4.9 22.8 53.5 31 41 A V E +CE 77 36A 3 46,-3.0 46,-1.7 -2,-0.3 2,-0.4 -0.966 15.2 177.5-111.8 122.1 -4.7 24.6 50.1 32 42 A I E > - E 0 35A 50 3,-3.1 3,-1.8 -2,-0.5 44,-0.2 -0.994 66.1 -16.9-130.0 125.5 -6.1 28.2 50.0 33 43 A D T 3 S- 0 0 116 -2,-0.4 43,-0.2 1,-0.3 -1,-0.1 0.875 129.1 -48.8 49.1 47.7 -6.0 30.5 47.0 34 48 A G T 3 S+ 0 0 11 41,-2.8 2,-0.4 37,-0.3 -1,-0.3 0.533 119.7 108.7 74.0 9.0 -3.3 28.4 45.2 35 49 A K E < -E 32 0A 149 -3,-1.8 -3,-3.1 40,-0.4 2,-0.6 -0.955 67.7-130.1-123.5 139.2 -1.1 28.3 48.4 36 50 A V E > -E 31 0A 19 -2,-0.4 3,-1.1 -5,-0.2 -5,-0.2 -0.709 30.4-130.1 -85.2 119.4 -0.3 25.5 50.8 37 51 A S T 3 S+ 0 0 43 -7,-2.5 -7,-0.3 -2,-0.6 5,-0.1 -0.523 87.1 1.1 -69.6 137.4 -0.9 26.8 54.4 38 52 A L T >> S+ 0 0 63 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 0.803 78.9 166.2 53.2 38.8 2.0 26.1 56.7 39 53 A L H <> S+ 0 0 27 -3,-1.1 4,-1.9 1,-0.3 5,-0.2 0.840 72.1 52.7 -49.3 -44.2 4.0 24.6 53.9 40 54 A S H 3> S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.840 107.0 52.6 -63.1 -36.0 7.2 24.7 56.0 41 55 A A H <> S+ 0 0 24 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.907 107.8 51.4 -67.9 -39.9 5.6 22.9 58.9 42 56 A H H X S+ 0 0 3 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.901 110.8 47.1 -65.9 -38.5 4.4 20.1 56.6 43 57 A I H X S+ 0 0 14 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.888 112.6 49.9 -70.6 -37.2 7.9 19.5 55.2 44 58 A Q H X S+ 0 0 100 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.830 108.6 51.4 -71.8 -30.8 9.5 19.6 58.6 45 59 A R H X S+ 0 0 27 -4,-2.0 4,-1.5 1,-0.2 84,-0.3 0.786 109.0 52.9 -75.5 -25.3 7.0 17.1 60.0 46 60 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.2 -2,-0.2 0.858 107.6 51.2 -75.9 -34.8 7.8 14.8 57.1 47 61 A Q H X S+ 0 0 71 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.846 110.8 46.7 -70.4 -38.3 11.5 15.0 57.8 48 62 A D H X S+ 0 0 88 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.859 112.0 50.7 -72.4 -36.1 11.2 14.1 61.5 49 63 A A H X S+ 0 0 2 -4,-1.5 4,-1.4 1,-0.2 6,-0.2 0.913 113.4 46.0 -66.6 -40.6 8.8 11.2 60.6 50 64 A C H <>S+ 0 0 4 -4,-2.0 5,-1.9 1,-0.2 -2,-0.2 0.837 110.7 55.1 -69.3 -32.7 11.4 10.0 58.1 51 65 A Q H ><5S+ 0 0 142 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.927 111.5 40.9 -66.4 -47.9 14.2 10.5 60.6 52 66 A R H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.738 115.6 49.9 -75.6 -21.3 12.6 8.3 63.3 53 67 A L T 3<5S- 0 0 21 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.333 111.7-123.1 -94.9 5.6 11.4 5.6 60.8 54 68 A M T < 5 + 0 0 147 -3,-0.8 2,-0.7 1,-0.2 -3,-0.2 0.658 56.9 153.9 62.7 19.6 15.0 5.6 59.5 55 69 A I < - 0 0 10 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.726 32.3-150.9 -82.5 114.1 13.8 6.4 55.9 56 70 A S + 0 0 112 -2,-0.7 44,-0.5 -3,-0.1 2,-0.3 -0.780 31.0 144.2 -92.1 123.6 16.7 8.2 54.1 57 71 A C - 0 0 22 -2,-0.5 3,-0.1 42,-0.1 -7,-0.0 -0.989 32.2-171.1-154.8 150.4 15.8 10.7 51.4 58 72 A D + 0 0 138 -2,-0.3 4,-0.2 1,-0.1 -1,-0.0 0.216 58.8 106.5-128.1 15.7 17.0 14.0 50.0 59 74 A F > + 0 0 18 1,-0.2 4,-3.2 2,-0.1 5,-0.2 0.266 40.7 117.9 -82.5 15.4 14.3 15.0 47.6 60 75 A W H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.835 74.2 48.7 -51.1 -44.5 13.0 17.7 49.9 61 76 A P H > S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.944 116.2 44.0 -63.5 -44.7 13.7 20.6 47.5 62 77 A Q H > S+ 0 0 84 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.871 112.6 52.2 -66.5 -38.1 11.9 18.7 44.6 63 78 A L H X S+ 0 0 0 -4,-3.2 4,-1.8 2,-0.2 -1,-0.2 0.908 107.4 53.0 -65.6 -41.5 9.0 17.6 46.9 64 79 A E H X S+ 0 0 74 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.926 107.7 50.0 -59.5 -46.6 8.4 21.2 48.0 65 80 A Q H X S+ 0 0 119 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.881 110.0 51.7 -58.5 -42.6 8.2 22.4 44.4 66 81 A E H X S+ 0 0 26 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.822 107.3 51.1 -65.0 -36.5 5.7 19.7 43.5 67 82 A M H X S+ 0 0 2 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.903 111.9 49.2 -68.2 -39.3 3.4 20.6 46.5 68 83 A K H X S+ 0 0 102 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.869 112.0 45.8 -68.2 -38.5 3.5 24.2 45.3 69 84 A T H X S+ 0 0 71 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.896 113.4 49.6 -73.2 -38.2 2.7 23.4 41.7 70 85 A L H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.844 111.3 50.3 -67.5 -32.9 -0.1 21.0 42.6 71 86 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -37,-0.3 0.826 106.9 53.9 -72.8 -34.4 -1.5 23.6 45.0 72 87 A A H < S+ 0 0 51 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.850 112.3 45.5 -68.2 -33.7 -1.5 26.3 42.3 73 88 A E H < S+ 0 0 136 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.955 116.3 42.5 -72.5 -54.4 -3.5 24.0 40.0 74 89 A Q H < S- 0 0 52 -4,-2.3 2,-2.7 1,-0.2 -2,-0.2 0.833 80.7-174.2 -61.2 -36.3 -6.1 22.9 42.6 75 90 A Q < + 0 0 92 -4,-2.1 -41,-2.8 -5,-0.2 -40,-0.4 -0.326 68.4 28.9 71.2 -60.8 -6.4 26.5 44.0 76 93 A N S S+ 0 0 81 -2,-2.7 2,-0.3 -44,-0.2 -44,-0.2 -0.954 98.7 51.6-136.8 117.9 -8.7 25.4 46.9 77 94 A G E S-C 31 0A 10 -46,-1.7 -46,-3.0 -2,-0.4 2,-0.4 -0.958 80.3 -41.0 166.1-145.7 -8.7 22.0 48.6 78 95 A V E -CF 30 107A 47 29,-2.5 29,-2.7 -2,-0.3 2,-0.5 -0.967 35.3-155.7-125.4 139.8 -6.5 19.4 50.3 79 96 A L E -CF 29 106A 1 -50,-2.8 -50,-3.0 -2,-0.4 2,-0.4 -0.964 10.6-162.7-117.5 119.7 -3.1 18.2 49.4 80 97 A K E -CF 28 105A 85 25,-2.8 25,-1.7 -2,-0.5 2,-0.4 -0.857 4.5-170.8-107.5 135.7 -2.0 14.8 50.5 81 98 A V E -CF 27 104A 0 -54,-2.4 -54,-2.0 -2,-0.4 2,-0.4 -0.993 1.9-174.5-125.5 131.8 1.6 13.7 50.6 82 99 A V E -CF 26 103A 21 21,-2.5 21,-2.5 -2,-0.4 2,-0.4 -0.973 3.6-173.2-126.5 138.3 2.8 10.1 51.3 83 100 A I E +CF 25 102A 0 -58,-2.4 -58,-2.4 -2,-0.4 2,-0.3 -0.998 10.5 178.2-130.7 126.2 6.4 8.9 51.7 84 101 A S E -CF 24 101A 0 17,-1.9 17,-1.8 -2,-0.4 -60,-0.2 -0.850 43.5-109.9-124.0 166.3 7.2 5.2 52.0 85 102 A R - 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