==== 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 23-MAR-06 2DH6 . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE BETA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.NISHIO,Y.MORIMOTO,K.OGASAHARA,N.YASUOKA,K.YUTANI,T.TSUKIHA . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 2 0 1 1 2 0 0 2 0 1 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 17 A V 0 0 101 0, 0.0 5,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 125.6 88.3 14.3 -19.5 2 18 A P >> - 0 0 69 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.346 360.0-121.7 -57.2 131.3 88.6 12.5 -22.8 3 19 A Q T 34 S+ 0 0 167 1,-0.3 3,-0.4 2,-0.2 0, 0.0 0.664 108.7 67.7 -47.9 -19.7 89.6 15.1 -25.4 4 20 A I T 34 S+ 0 0 90 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.744 98.7 48.5 -75.2 -25.8 86.4 14.2 -27.4 5 21 A L T <> S+ 0 0 7 -3,-2.5 4,-2.5 1,-0.2 5,-0.2 0.499 84.6 93.6 -91.4 -8.1 84.1 15.7 -24.7 6 22 A M H X S+ 0 0 73 -4,-0.5 4,-2.3 -3,-0.4 5,-0.2 0.897 84.6 49.8 -51.5 -49.3 86.1 19.0 -24.4 7 23 A P H > S+ 0 0 45 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.942 112.7 46.3 -56.6 -51.7 83.9 20.8 -26.9 8 24 A A H > S+ 0 0 7 -4,-0.3 4,-1.3 1,-0.2 -2,-0.2 0.904 114.2 47.4 -57.6 -47.4 80.6 19.7 -25.2 9 25 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.855 111.7 50.8 -65.8 -36.1 81.8 20.6 -21.8 10 26 A R H X S+ 0 0 135 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.932 110.5 47.1 -68.5 -46.3 83.1 24.0 -22.9 11 27 A Q H X S+ 0 0 101 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.783 113.4 52.1 -65.1 -25.2 79.9 25.0 -24.6 12 28 A L H X S+ 0 0 2 -4,-1.3 4,-3.1 -5,-0.2 -2,-0.2 0.968 110.3 45.2 -73.6 -54.1 78.1 23.9 -21.5 13 29 A E H X S+ 0 0 52 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.882 113.1 53.2 -56.0 -38.7 80.3 25.9 -19.2 14 30 A E H X S+ 0 0 125 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.945 111.8 43.9 -63.1 -46.3 79.8 28.8 -21.5 15 31 A A H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.900 112.6 52.4 -65.4 -40.0 76.1 28.5 -21.4 16 32 A F H X S+ 0 0 11 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.945 107.9 50.6 -59.3 -52.7 76.0 28.0 -17.6 17 33 A V H X S+ 0 0 59 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.884 113.5 47.3 -53.1 -41.3 78.0 31.1 -17.0 18 34 A S H >< S+ 0 0 41 -4,-1.7 3,-1.0 -5,-0.2 -1,-0.2 0.914 110.9 48.9 -67.3 -46.5 75.6 33.0 -19.3 19 35 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 1,-0.3 7,-0.5 0.771 105.2 59.4 -66.2 -26.5 72.5 31.7 -17.7 20 36 A Q H 3< S+ 0 0 79 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.724 105.2 50.3 -75.3 -17.7 73.8 32.5 -14.3 21 37 A K T << S+ 0 0 161 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.333 93.6 88.9 -99.1 5.7 74.0 36.2 -15.5 22 38 A D X> - 0 0 51 -3,-1.0 4,-2.0 1,-0.2 3,-1.3 -0.879 54.9-169.3-110.9 109.2 70.5 36.2 -16.7 23 39 A P H 3> S+ 0 0 105 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.757 92.3 63.6 -63.3 -21.2 67.9 37.1 -14.1 24 40 A E H 3> S+ 0 0 103 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.819 105.3 44.9 -69.4 -31.7 65.3 35.9 -16.6 25 41 A F H X> S+ 0 0 4 -3,-1.3 4,-3.0 -6,-0.2 3,-0.7 0.983 111.9 48.3 -73.0 -63.5 66.9 32.4 -16.2 26 42 A Q H 3X S+ 0 0 68 -4,-2.0 4,-1.3 -7,-0.5 -2,-0.2 0.785 110.7 57.3 -47.8 -26.8 67.1 32.4 -12.5 27 43 A A H 3X S+ 0 0 49 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.3 0.948 109.5 40.2 -71.7 -47.9 63.5 33.6 -12.7 28 44 A Q H S+ 0 0 21 -4,-2.2 4,-3.9 1,-0.2 5,-0.7 0.938 109.0 55.8 -57.9 -46.9 59.9 25.5 -11.9 33 49 A L H X5S+ 0 0 4 -4,-2.1 6,-1.7 2,-0.2 4,-1.1 0.869 114.0 40.9 -53.7 -37.7 61.4 25.0 -8.4 34 50 A K H X5S+ 0 0 123 -4,-1.9 4,-0.6 -3,-0.3 -2,-0.2 0.965 120.8 40.8 -74.3 -56.1 58.0 26.2 -6.9 35 51 A N H <5S+ 0 0 99 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.829 130.9 20.3 -67.2 -31.2 55.7 24.5 -9.2 36 52 A Y H <5S+ 0 0 116 -4,-3.9 -3,-0.2 -5,-0.3 -1,-0.2 0.650 125.3 41.2-117.3 -13.3 57.5 21.1 -9.5 37 53 A A H < + 0 0 125 -2,-0.6 4,-1.3 2,-0.1 -1,-0.2 0.821 68.3 56.9-103.1 -35.2 60.0 25.0 21.2 48 64 A N T 4 S+ 0 0 101 229,-0.2 3,-0.5 1,-0.2 230,-0.1 0.949 108.0 49.3 -59.4 -48.0 59.3 22.0 23.3 49 65 A I T 4 S+ 0 0 19 1,-0.2 -1,-0.2 225,-0.1 -2,-0.1 0.844 114.5 41.8 -59.8 -40.6 62.7 20.5 22.8 50 66 A T T >4 S+ 0 0 18 -4,-0.4 3,-2.0 7,-0.1 5,-0.3 0.640 84.6 128.3 -83.1 -14.6 64.7 23.7 23.7 51 67 A A T 3< S+ 0 0 69 -4,-1.3 3,-0.1 -3,-0.5 -3,-0.0 -0.115 71.8 28.6 -42.8 134.1 62.3 24.5 26.6 52 68 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 3,-0.0 2,-0.3 0.421 115.2 70.1 90.0 -0.6 64.4 25.0 29.7 53 69 A T S < S- 0 0 37 -3,-2.0 -1,-0.3 2,-0.2 249,-0.2 -0.883 83.0-113.7-141.3 174.6 67.5 26.3 27.8 54 70 A N S S+ 0 0 73 247,-2.4 251,-0.4 -2,-0.3 2,-0.2 0.353 77.5 110.0 -94.0 8.0 68.8 29.2 25.8 55 71 A T - 0 0 4 -5,-0.3 2,-0.6 249,-0.2 251,-0.2 -0.567 53.5-156.6 -80.0 143.7 69.1 27.3 22.5 56 72 A T E - b 0 306A 41 249,-2.3 251,-2.1 -2,-0.2 2,-0.5 -0.980 17.3-160.5-119.6 111.0 66.7 28.2 19.7 57 73 A L E -Ab 46 307A 4 -11,-0.7 -11,-3.0 -2,-0.6 2,-0.4 -0.845 11.4-176.0-103.4 133.8 66.5 25.2 17.4 58 74 A Y E -Ab 45 308A 6 249,-1.9 251,-3.0 -2,-0.5 2,-0.5 -0.988 10.8-155.0-124.9 132.6 65.2 25.3 13.8 59 75 A L E -Ab 44 309A 0 -15,-2.7 -15,-2.6 -2,-0.4 2,-1.0 -0.896 15.0-138.5-107.8 132.9 64.7 22.4 11.5 60 76 A K E -Ab 43 310A 0 249,-2.3 2,-2.4 -2,-0.5 251,-1.6 -0.830 24.8-137.5 -89.1 105.1 64.8 23.0 7.7 61 77 A R > + 0 0 32 -19,-2.4 3,-0.9 -2,-1.0 -19,-0.4 -0.331 55.0 140.0 -68.1 67.7 61.9 20.7 6.6 62 78 A E G > + 0 0 6 -2,-2.4 3,-1.2 249,-0.4 -1,-0.2 0.644 64.0 79.3 -79.7 -11.1 63.3 19.0 3.5 63 79 A D G 3 S+ 0 0 35 -3,-0.3 -1,-0.2 1,-0.2 252,-0.1 0.648 82.8 60.2 -67.9 -18.3 61.5 15.9 5.0 64 80 A L G < S+ 0 0 111 -3,-0.9 -1,-0.2 -22,-0.1 -2,-0.1 0.552 83.8 96.5 -89.9 -7.8 58.2 17.1 3.7 65 81 A L S < S- 0 0 30 -3,-1.2 2,-0.3 -4,-0.1 3,-0.1 -0.230 85.3-103.2 -69.7 168.8 59.2 17.1 0.1 66 82 A H > - 0 0 172 1,-0.2 3,-1.8 -29,-0.0 4,-0.2 -0.670 51.6 -79.5 -93.2 155.8 58.3 14.0 -1.9 67 83 A G T 3 S+ 0 0 69 -2,-0.3 -1,-0.2 1,-0.3 246,-0.0 -0.096 117.5 24.1 -51.8 150.2 61.1 11.6 -2.7 68 84 A G T >> S+ 0 0 19 -3,-0.1 4,-2.5 1,-0.1 3,-1.2 0.372 83.1 122.3 76.4 -8.6 63.4 12.5 -5.5 69 85 A A H <> S+ 0 0 10 -3,-1.8 4,-1.9 1,-0.3 -2,-0.1 0.926 72.7 53.9 -50.3 -50.7 62.6 16.2 -5.1 70 86 A H H 3> S+ 0 0 44 1,-0.2 4,-0.9 -4,-0.2 -1,-0.3 0.744 109.8 47.7 -60.8 -20.9 66.2 17.0 -4.5 71 87 A K H <> S+ 0 0 68 -3,-1.2 4,-1.9 2,-0.2 3,-0.2 0.870 106.3 56.4 -83.2 -38.9 67.0 15.3 -7.8 72 88 A T H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.835 98.3 68.7 -57.8 -32.6 64.3 17.2 -9.6 73 89 A N H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.949 105.2 33.9 -53.1 -59.0 66.1 20.2 -8.3 74 90 A Q H X S+ 0 0 4 -4,-0.9 4,-2.7 -3,-0.2 -1,-0.2 0.808 117.2 54.1 -74.9 -23.8 69.2 19.9 -10.5 75 91 A V H X S+ 0 0 0 -4,-1.9 4,-4.3 2,-0.2 5,-0.4 0.893 106.0 51.8 -76.0 -34.6 67.4 18.4 -13.5 76 92 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.962 113.5 47.2 -60.2 -45.3 64.9 21.3 -13.6 77 93 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.925 119.2 38.7 -59.0 -47.9 68.0 23.5 -13.6 78 94 A Q H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.887 112.0 54.9 -73.7 -39.8 69.7 21.5 -16.3 79 95 A A H X S+ 0 0 0 -4,-4.3 4,-2.4 1,-0.2 5,-0.2 0.963 112.4 46.6 -56.0 -47.6 66.6 20.8 -18.4 80 96 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 -5,-0.4 -1,-0.2 0.909 110.8 51.7 -59.0 -44.3 66.2 24.6 -18.4 81 97 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.887 109.4 50.4 -60.8 -39.6 69.9 25.1 -19.3 82 98 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 2,-0.2 4,-0.3 0.929 108.4 51.0 -64.0 -46.9 69.6 22.7 -22.2 83 99 A K H ><5S+ 0 0 97 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.908 109.1 53.3 -55.7 -41.4 66.5 24.5 -23.6 84 100 A R H 3<5S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.969 105.6 52.1 -57.7 -53.2 68.6 27.6 -23.3 85 101 A M T 3<5S- 0 0 45 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.456 119.7-114.6 -63.9 -0.2 71.3 26.0 -25.3 86 102 A G T < 5 + 0 0 54 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.691 61.1 159.7 73.6 18.6 68.7 25.2 -27.9 87 103 A K < - 0 0 25 -5,-2.7 81,-0.2 -6,-0.1 -1,-0.2 -0.248 27.9-166.1 -68.8 162.8 69.1 21.5 -27.3 88 104 A T + 0 0 75 79,-2.7 25,-2.8 1,-0.2 2,-0.3 0.527 65.0 40.7-127.6 -18.0 66.2 19.1 -28.3 89 105 A E E -fg 113 168B 43 78,-2.1 80,-1.9 23,-0.2 2,-0.3 -0.926 63.8-147.4-133.0 161.3 67.0 15.8 -26.6 90 106 A I E -fg 114 169B 0 23,-3.0 25,-2.8 -2,-0.3 2,-0.4 -0.973 3.1-157.1-132.1 141.6 68.3 14.7 -23.2 91 107 A I E +fg 115 170B 0 78,-2.6 80,-3.2 -2,-0.3 2,-0.3 -0.980 23.1 158.0-121.4 130.0 70.4 11.8 -22.2 92 108 A A E -f 116 0B 0 23,-1.8 25,-2.5 -2,-0.4 2,-0.3 -0.962 26.8-145.3-146.8 158.2 70.5 10.4 -18.6 93 109 A E E -f 117 0B 17 78,-0.5 2,-0.3 -2,-0.3 25,-0.2 -0.855 19.1-168.0-120.8 161.5 71.3 7.2 -16.8 94 110 A T E -f 118 0B 3 23,-1.6 25,-0.6 -2,-0.3 28,-0.1 -0.993 22.0-176.4-151.8 152.9 69.5 5.8 -13.7 95 111 A G S S+ 0 0 16 -2,-0.3 -1,-0.1 23,-0.1 23,-0.0 0.677 94.9 13.8-110.4 -77.9 69.9 3.1 -11.0 96 112 A A S S- 0 0 50 1,-0.0 33,-0.2 33,-0.0 -2,-0.1 0.831 108.2-115.0 -69.4 -30.8 66.9 3.0 -8.8 97 113 A G S > S+ 0 0 0 32,-0.1 4,-2.7 31,-0.1 5,-0.2 0.316 86.7 113.5 112.8 -8.5 65.1 5.1 -11.3 98 114 A Q H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.989 83.2 43.0 -59.1 -58.8 64.6 8.3 -9.3 99 115 A H H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 114.3 52.4 -51.5 -48.1 67.0 10.4 -11.4 100 116 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 109.2 48.2 -53.9 -47.8 65.5 8.8 -14.6 101 117 A V H X S+ 0 0 25 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.819 111.1 53.0 -63.4 -30.6 62.0 9.8 -13.5 102 118 A A H X S+ 0 0 4 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.923 109.8 46.8 -70.9 -43.2 63.3 13.3 -12.7 103 119 A S H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.889 112.0 50.8 -65.4 -39.8 64.8 13.7 -16.2 104 120 A A H X S+ 0 0 2 -4,-2.5 4,-3.6 -5,-0.2 5,-0.2 0.952 113.0 46.0 -60.7 -49.8 61.6 12.4 -17.9 105 121 A L H X S+ 0 0 45 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.968 115.1 44.3 -56.8 -60.7 59.5 14.8 -16.0 106 122 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.913 116.5 52.0 -52.6 -42.3 61.7 17.8 -16.6 107 123 A S H <>S+ 0 0 2 -4,-2.6 5,-2.9 -5,-0.3 4,-0.3 0.922 107.9 46.4 -62.5 -48.6 61.9 16.6 -20.1 108 124 A A H ><5S+ 0 0 55 -4,-3.6 3,-1.4 3,-0.2 -1,-0.2 0.955 112.8 54.2 -58.7 -47.3 58.2 16.3 -20.8 109 125 A L H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.936 115.3 34.5 -49.1 -63.3 57.7 19.7 -19.2 110 126 A L T 3<5S- 0 0 28 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.298 115.7-114.1 -80.8 12.3 60.1 21.6 -21.4 111 127 A G T < 5 + 0 0 58 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.909 61.8 152.1 59.3 46.8 59.2 19.4 -24.3 112 128 A L < - 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