==== 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-SEP-04 1WQ5 . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.NISHIO,Y.MORIMOTO,M.ISHIZUKA,K.OGASAHARA,K.YUTANI,T.TSUKIH . 519 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 0 0 2 0 6 5 2 1 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 3 8 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 224 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 59.8 72.1 48.9 -60.7 2 2 A E > + 0 0 100 2,-0.0 4,-3.1 1,-0.0 5,-0.2 -0.434 360.0 173.6-162.9 70.7 71.3 52.5 -60.0 3 3 A R H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.854 78.6 44.8 -57.6 -42.7 67.8 52.5 -58.7 4 4 A Y H > S+ 0 0 7 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.950 115.9 49.0 -67.1 -45.6 67.5 56.2 -57.7 5 5 A E H > S+ 0 0 127 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.934 112.8 45.5 -57.7 -51.2 69.1 57.2 -61.0 6 6 A S H X S+ 0 0 62 -4,-3.1 4,-2.0 1,-0.2 3,-0.2 0.950 114.9 49.9 -58.2 -48.9 66.8 55.0 -63.1 7 7 A L H X S+ 0 0 27 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.930 109.4 49.4 -55.6 -51.9 63.8 56.2 -61.1 8 8 A F H X S+ 0 0 22 -4,-3.4 4,-2.5 1,-0.2 -1,-0.2 0.820 109.2 52.4 -61.7 -30.4 64.6 59.9 -61.4 9 9 A A H X S+ 0 0 61 -4,-1.8 4,-2.3 -3,-0.2 -1,-0.2 0.927 110.9 47.1 -70.8 -42.7 65.1 59.6 -65.2 10 10 A Q H X S+ 0 0 93 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.918 115.4 45.7 -63.2 -45.4 61.7 58.0 -65.6 11 11 A L H <>S+ 0 0 3 -4,-2.5 5,-2.2 2,-0.2 -2,-0.2 0.938 112.3 49.5 -62.7 -51.5 60.0 60.6 -63.4 12 12 A K H ><5S+ 0 0 159 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.929 109.2 52.5 -54.5 -49.6 61.7 63.6 -65.0 13 13 A E H 3<5S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.890 112.2 46.4 -53.7 -42.4 60.7 62.3 -68.5 14 14 A R T 3<5S- 0 0 144 -4,-1.6 246,-0.3 -5,-0.2 -1,-0.3 0.340 117.1-116.9 -81.6 4.8 57.1 62.1 -67.2 15 15 A K T < 5S+ 0 0 147 -3,-2.1 245,-0.8 1,-0.2 2,-0.3 0.960 70.8 134.1 57.8 51.6 57.4 65.6 -65.7 16 16 A E B < -A 259 0A 37 -5,-2.2 243,-0.2 243,-0.2 -1,-0.2 -0.979 50.9-141.0-136.5 147.4 56.8 64.2 -62.2 17 17 A G - 0 0 3 241,-1.9 2,-0.4 -2,-0.3 205,-0.3 -0.451 35.7-105.2 -91.3 173.8 58.4 64.6 -58.8 18 18 A A E -b 222 0B 0 203,-1.6 205,-2.8 -2,-0.2 2,-0.6 -0.821 18.8-148.6-103.6 141.5 58.8 61.5 -56.5 19 19 A F E -b 223 0B 0 -2,-0.4 27,-2.4 25,-0.3 28,-0.9 -0.954 17.4-174.6-107.1 120.5 56.6 60.8 -53.5 20 20 A V E -b 224 0B 1 203,-3.4 205,-1.4 -2,-0.6 28,-0.2 -0.865 6.4-161.1-120.9 96.6 58.6 59.0 -50.8 21 21 A P E -b 225 0B 1 0, 0.0 28,-1.9 0, 0.0 2,-0.4 -0.375 8.9-147.6 -72.5 152.3 56.6 57.8 -47.8 22 22 A F E +f 49 0C 1 203,-2.4 2,-0.3 26,-0.2 28,-0.2 -0.979 23.0 161.9-125.8 138.1 58.5 57.0 -44.6 23 23 A V E -f 50 0C 8 26,-1.5 28,-2.5 -2,-0.4 2,-0.6 -0.963 41.2-110.5-145.5 158.6 57.6 54.4 -42.0 24 24 A T E > -f 51 0C 44 -2,-0.3 3,-1.8 26,-0.2 28,-0.2 -0.847 43.9-112.0 -94.0 123.2 59.5 52.7 -39.3 25 25 A L T 3 S+ 0 0 1 26,-2.2 44,-0.2 -2,-0.6 5,-0.1 -0.263 100.4 24.7 -54.7 137.0 60.0 49.0 -40.2 26 26 A G T 3 S+ 0 0 15 3,-0.3 -1,-0.2 1,-0.2 6,-0.1 0.406 87.2 166.6 89.3 -2.6 58.0 46.7 -37.9 27 27 A D S < S- 0 0 62 -3,-1.8 -1,-0.2 1,-0.3 9,-0.1 -0.830 75.3 -7.9 -99.0 128.7 55.3 49.3 -36.9 28 28 A P S S- 0 0 45 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.972 141.4 -29.0 -87.1 2.5 52.9 48.3 -35.5 29 29 A G > - 0 0 26 1,-0.1 4,-2.0 40,-0.0 -3,-0.3 -0.972 60.3 -99.6-166.7 166.8 54.1 44.7 -36.2 30 30 A I H > S+ 0 0 60 -2,-0.3 4,-2.2 2,-0.2 -4,-0.2 0.965 118.5 40.3 -63.4 -54.2 56.1 42.8 -38.7 31 31 A E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 120.0 45.0 -61.6 -43.5 53.2 41.3 -40.8 32 32 A Q H > S+ 0 0 25 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.826 109.8 56.0 -70.8 -32.1 51.2 44.5 -40.8 33 33 A S H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.927 107.9 48.0 -66.0 -43.7 54.3 46.6 -41.5 34 34 A L H X S+ 0 0 14 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.887 113.3 47.9 -64.1 -38.2 54.9 44.6 -44.7 35 35 A K H X S+ 0 0 96 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.901 109.2 53.9 -69.9 -36.3 51.3 45.0 -45.7 36 36 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.968 109.1 48.8 -59.7 -49.4 51.5 48.7 -45.0 37 37 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.878 109.6 50.7 -59.5 -40.4 54.5 49.0 -47.3 38 38 A D H X S+ 0 0 48 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.901 111.0 49.7 -63.7 -40.0 52.8 47.0 -50.1 39 39 A T H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.867 108.1 53.8 -65.6 -37.3 49.8 49.3 -49.8 40 40 A L H <>S+ 0 0 0 -4,-2.3 5,-1.9 -5,-0.2 4,-0.2 0.946 113.1 42.9 -61.5 -47.2 52.1 52.4 -49.9 41 41 A I H ><5S+ 0 0 32 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.949 112.2 51.4 -63.5 -51.9 53.6 51.1 -53.2 42 42 A E H 3<5S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.821 108.1 56.4 -55.6 -31.2 50.3 50.0 -54.7 43 43 A A T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.472 133.3 -79.8 -82.8 -4.0 49.0 53.6 -53.9 44 44 A G T < 5 + 0 0 21 -3,-2.1 -25,-0.3 1,-0.2 -3,-0.2 0.558 69.9 155.7 121.3 7.2 51.7 55.4 -55.8 45 45 A A < - 0 0 10 -5,-1.9 -1,-0.2 1,-0.1 -25,-0.2 -0.472 23.7-164.8 -67.9 132.6 54.9 55.5 -53.7 46 46 A D S S- 0 0 28 -27,-2.4 2,-0.3 1,-0.3 -26,-0.2 0.758 70.5 -3.3 -88.9 -26.7 58.0 56.0 -56.0 47 47 A A S S- 0 0 2 -28,-0.9 2,-0.4 41,-0.2 -1,-0.3 -0.953 72.3-117.5-156.3 166.0 60.6 55.0 -53.4 48 48 A L E - g 0 90C 0 41,-2.4 43,-2.6 -2,-0.3 2,-0.6 -0.918 8.9-163.5-119.7 141.2 60.7 54.1 -49.7 49 49 A E E -fg 22 91C 0 -28,-1.9 -26,-1.5 -2,-0.4 2,-0.5 -0.986 23.8-170.9-118.5 113.0 62.4 55.8 -46.7 50 50 A L E -fg 23 92C 0 41,-2.9 43,-2.0 -2,-0.6 2,-0.3 -0.936 15.0-144.8-117.8 123.5 62.5 53.2 -43.9 51 51 A G E -fg 24 93C 1 -28,-2.5 -26,-2.2 -2,-0.5 43,-0.2 -0.629 8.8-151.0 -83.9 135.6 63.5 53.8 -40.3 52 52 A I - 0 0 10 41,-1.3 43,-0.3 -2,-0.3 46,-0.1 -0.895 15.9-144.2-111.6 105.1 65.3 51.0 -38.5 53 53 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 21,-0.1 -0.185 19.7-176.6 -62.3 151.8 64.6 51.1 -34.7 54 54 A F + 0 0 57 1,-0.1 16,-0.1 16,-0.0 44,-0.1 -0.968 28.6 135.1-156.9 136.9 67.3 50.2 -32.2 55 55 A S 0 0 75 -2,-0.3 -1,-0.1 1,-0.1 260,-0.0 0.191 360.0 360.0-169.7 28.0 67.6 49.8 -28.4 56 56 A D 0 0 112 303,-0.0 -1,-0.1 0, 0.0 10,-0.0 -0.498 360.0 360.0 69.6 360.0 69.5 46.6 -27.6 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 65 A Q 0 0 162 0, 0.0 2,-0.2 0, 0.0 329,-0.1 0.000 360.0 360.0 360.0 -55.0 72.5 37.5 -22.3 59 66 A N - 0 0 57 380,-0.0 380,-0.1 330,-0.0 351,-0.0 -0.703 360.0-145.4-170.7 110.7 69.9 37.6 -19.4 60 67 A A + 0 0 37 378,-0.4 3,-0.1 -2,-0.2 378,-0.1 0.061 19.2 175.5 -71.8-177.4 66.4 38.8 -19.8 61 68 A T + 0 0 4 1,-0.2 2,-0.4 349,-0.0 374,-0.2 0.164 65.4 4.2-149.7 -76.7 64.1 40.7 -17.4 62 69 A L > - 0 0 5 406,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.952 56.6-132.6-125.8 145.2 60.7 41.7 -18.8 63 70 A R H > S+ 0 0 113 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.831 110.6 52.5 -62.0 -32.5 59.2 41.0 -22.2 64 71 A A H 4 S+ 0 0 13 2,-0.2 -1,-0.2 1,-0.1 221,-0.0 0.775 106.1 54.1 -75.6 -27.4 58.3 44.7 -22.5 65 72 A F H 4 S+ 0 0 29 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.987 116.4 34.4 -68.7 -59.2 61.8 45.8 -21.7 66 73 A A H < S+ 0 0 59 -4,-1.8 -2,-0.2 -10,-0.0 -1,-0.2 0.696 95.1 134.6 -67.2 -19.9 63.5 43.8 -24.4 67 74 A A < + 0 0 54 -4,-1.0 2,-0.2 -5,-0.3 -3,-0.1 0.188 28.9 82.4 -33.4 143.5 60.5 44.3 -26.7 68 75 A G S S- 0 0 68 -42,-0.0 2,-0.4 2,-0.0 -42,-0.1 -0.673 80.1 -72.5 139.0 166.6 61.0 45.3 -30.3 69 76 A V - 0 0 27 -2,-0.2 -44,-0.0 -44,-0.2 -42,-0.0 -0.793 55.0-127.1 -89.9 133.1 61.7 44.1 -33.8 70 77 A T > - 0 0 66 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.372 16.0-113.8 -79.5 161.9 65.4 43.0 -34.0 71 78 A P H > S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.849 118.6 54.8 -63.9 -32.2 67.8 44.4 -36.7 72 79 A A H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 107.0 49.5 -67.6 -39.8 68.1 40.8 -38.1 73 80 A Q H > S+ 0 0 68 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 108.7 55.9 -66.2 -30.2 64.3 40.7 -38.5 74 81 A C H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.909 108.9 43.9 -68.2 -43.2 64.5 44.2 -40.2 75 82 A F H X S+ 0 0 11 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.885 111.1 55.3 -69.3 -35.9 67.0 43.0 -42.8 76 83 A E H X S+ 0 0 131 -4,-2.2 4,-1.5 2,-0.2 3,-0.5 0.972 110.7 45.8 -57.6 -52.5 64.9 39.9 -43.3 77 84 A M H >X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 3,-0.6 0.934 109.4 55.4 -54.2 -49.1 61.9 42.1 -43.9 78 85 A L H 3X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.838 104.9 53.1 -55.1 -35.3 64.0 44.3 -46.3 79 86 A A H 3X S+ 0 0 38 -4,-2.2 4,-2.2 -3,-0.5 -1,-0.3 0.852 108.1 49.6 -70.7 -34.2 64.9 41.3 -48.4 80 87 A L H - 0 0 41 -43,-0.3 4,-0.6 -2,-0.3 3,-0.5 -0.619 39.5-112.6 -98.2 162.6 71.2 56.8 -36.2 96 103 A A H > S+ 0 0 1 -2,-0.2 4,-3.3 1,-0.2 3,-0.4 0.759 98.5 80.5 -67.5 -32.0 74.8 55.5 -35.9 97 104 A N H > S+ 0 0 19 220,-0.4 4,-3.1 1,-0.3 -1,-0.2 0.870 94.9 47.7 -45.4 -47.2 74.6 53.4 -32.8 98 105 A L H > S+ 0 0 2 -3,-0.5 4,-2.5 2,-0.2 5,-0.3 0.906 113.3 48.6 -62.0 -40.8 73.1 50.4 -34.7 99 106 A V H X S+ 0 0 0 -4,-0.6 4,-2.0 -3,-0.4 8,-0.2 0.912 114.2 46.2 -64.0 -42.8 75.8 50.8 -37.3 100 107 A F H < S+ 0 0 100 -4,-3.3 -2,-0.2 2,-0.2 -1,-0.2 0.882 110.4 55.4 -67.0 -36.1 78.4 51.0 -34.5 101 108 A N H < S+ 0 0 88 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.970 116.2 33.5 -58.7 -59.3 76.8 47.9 -32.9 102 109 A K H < S- 0 0 98 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.759 122.1-100.8 -70.6 -26.3 77.0 45.6 -35.9 103 110 A G X - 0 0 17 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.181 28.2-101.6 106.8 130.7 80.3 47.1 -37.2 104 111 A I H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.922 117.9 39.2 -48.5 -63.8 80.5 49.6 -40.0 105 112 A D H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 117.3 51.6 -56.9 -43.1 81.6 47.3 -42.9 106 113 A E H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.869 107.2 53.1 -64.7 -36.5 79.3 44.5 -41.7 107 114 A F H X S+ 0 0 1 -4,-2.6 4,-1.2 -8,-0.2 3,-0.2 0.955 113.3 41.3 -65.3 -48.8 76.3 46.8 -41.6 108 115 A Y H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.841 109.8 60.9 -67.5 -30.3 76.7 48.0 -45.1 109 116 A A H X S+ 0 0 32 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.883 106.5 45.4 -63.1 -38.6 77.6 44.5 -46.3 110 117 A Q H X S+ 0 0 88 -4,-1.7 4,-1.6 -3,-0.2 -1,-0.2 0.741 108.2 56.9 -76.2 -24.2 74.1 43.3 -45.1 111 118 A C H <>S+ 0 0 0 -4,-1.2 5,-2.6 1,-0.2 4,-0.5 0.908 108.8 47.8 -70.6 -41.3 72.4 46.3 -46.7 112 119 A E H <5S+ 0 0 78 -4,-2.2 3,-0.4 3,-0.2 -2,-0.2 0.819 108.5 54.5 -67.9 -31.7 74.0 45.2 -50.0 113 120 A K H <5S+ 0 0 165 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.1 42.2 -71.1 -38.5 72.9 41.6 -49.5 114 121 A V T <5S- 0 0 16 -4,-1.6 -32,-0.3 -5,-0.1 -1,-0.2 0.437 118.9-106.4 -88.1 1.1 69.2 42.5 -49.0 115 122 A G T 5 + 0 0 17 -4,-0.5 -25,-0.3 -3,-0.4 -3,-0.2 0.679 56.3 164.4 86.3 17.9 69.1 45.0 -51.8 116 123 A V < - 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