==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-SEP-04 1XCF . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.JANG . 476 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 22 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 0 0 4 0 4 6 2 0 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 6 6 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 . 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 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 0 177 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 6.6 -3.7 -5.5 2 2 A E > + 0 0 117 1,-0.1 4,-2.0 2,-0.1 5,-0.2 -0.704 360.0 162.8-126.7 80.3 8.3 -5.7 -2.7 3 3 A R H > S+ 0 0 35 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.835 80.3 49.1 -67.2 -33.2 10.8 -3.5 -0.8 4 4 A Y H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.911 108.8 53.1 -71.7 -41.8 10.9 -5.8 2.3 5 5 A E H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.921 113.8 42.7 -57.7 -46.0 11.5 -8.8 0.1 6 6 A S H X S+ 0 0 50 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.873 112.9 52.1 -71.1 -37.7 14.4 -7.1 -1.6 7 7 A L H X S+ 0 0 18 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.953 111.2 46.6 -63.1 -49.0 15.9 -5.7 1.6 8 8 A F H X S+ 0 0 21 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.839 111.3 51.9 -63.4 -34.0 15.9 -9.1 3.3 9 9 A A H X S+ 0 0 46 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.899 111.6 47.3 -69.0 -38.8 17.5 -10.8 0.3 10 10 A Q H < S+ 0 0 103 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.841 111.3 51.3 -70.2 -33.7 20.2 -8.1 0.2 11 11 A L H ><>S+ 0 0 4 -4,-2.1 5,-3.1 2,-0.2 3,-0.6 0.879 108.3 50.8 -71.4 -38.2 20.8 -8.5 4.0 12 12 A K H ><5S+ 0 0 160 -4,-2.0 3,-2.5 1,-0.3 -2,-0.2 0.924 102.5 58.8 -64.9 -44.8 21.2 -12.3 3.8 13 13 A E T 3<5S+ 0 0 148 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.721 114.6 40.7 -56.4 -18.4 23.7 -12.1 1.0 14 14 A R T < 5S- 0 0 127 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.321 110.1-122.7-111.9 5.4 25.6 -10.0 3.5 15 15 A K T < 5 + 0 0 170 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.851 67.7 140.0 54.1 36.2 24.9 -12.2 6.6 16 16 A E < - 0 0 30 -5,-3.1 224,-0.2 -8,-0.1 -1,-0.2 -0.787 48.3-139.2-112.2 154.4 23.4 -9.0 8.1 17 17 A G - 0 0 3 222,-2.2 2,-0.4 -2,-0.3 186,-0.3 -0.576 30.4-106.9-100.3 169.2 20.3 -8.3 10.3 18 18 A A E -a 203 0A 0 184,-1.8 186,-2.7 -2,-0.2 2,-0.6 -0.774 19.5-154.8-101.0 143.1 18.1 -5.3 9.8 19 19 A F E -a 204 0A 10 -2,-0.4 27,-2.2 25,-0.2 28,-0.9 -0.973 16.0-178.5-114.7 120.1 18.0 -2.3 12.1 20 20 A V E -a 205 0A 5 184,-3.0 186,-1.8 -2,-0.6 28,-0.2 -0.910 13.1-152.3-123.6 105.3 14.7 -0.5 12.0 21 21 A P E -a 206 0A 6 0, 0.0 28,-2.0 0, 0.0 2,-0.5 -0.459 8.9-143.2 -74.9 148.3 14.2 2.6 14.1 22 22 A F E +e 49 0B 50 184,-2.2 2,-0.4 26,-0.2 186,-0.4 -0.962 22.0 179.2-111.9 122.9 10.7 3.4 15.2 23 23 A V E -e 50 0B 8 26,-2.3 28,-2.3 -2,-0.5 2,-0.4 -0.990 21.0-137.5-129.2 132.8 9.9 7.1 15.3 24 24 A T E -e 51 0B 39 -2,-0.4 3,-0.3 26,-0.2 2,-0.2 -0.698 18.1-148.7 -88.5 137.6 6.5 8.7 16.2 25 25 A L + 0 0 3 26,-3.1 36,-0.0 -2,-0.4 -1,-0.0 -0.565 65.4 68.8 -98.6 165.7 5.3 11.6 14.1 26 26 A G S S+ 0 0 29 2,-0.4 -1,-0.2 -2,-0.2 26,-0.1 0.140 74.7 88.8 114.2 -20.8 3.2 14.5 15.3 27 27 A D S S+ 0 0 96 -3,-0.3 2,-0.1 2,-0.1 -2,-0.1 0.991 91.3 16.3 -73.7 -74.0 5.6 16.4 17.6 28 28 A L S S- 0 0 31 1,-0.2 -2,-0.4 2,-0.1 188,-0.0 -0.335 92.0 -77.8 -96.3 178.8 7.4 18.8 15.3 29 29 A G > - 0 0 41 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.098 47.6 -94.1 -70.9 171.9 6.8 20.2 11.9 30 30 A I H > S+ 0 0 74 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.901 120.3 52.8 -51.5 -51.0 7.3 18.6 8.5 31 31 A E H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 112.7 42.3 -56.0 -49.5 10.8 20.1 8.0 32 32 A Q H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 114.9 51.2 -65.4 -42.5 12.3 18.9 11.3 33 33 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.923 109.8 50.0 -59.6 -45.3 10.6 15.5 11.0 34 34 A L H X S+ 0 0 22 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.848 109.1 52.7 -62.9 -34.4 12.1 15.1 7.5 35 35 A K H X S+ 0 0 47 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.938 109.5 48.0 -66.3 -47.4 15.5 16.1 8.9 36 36 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.951 114.9 45.2 -58.2 -50.8 15.4 13.5 11.6 37 37 A I H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.923 112.0 51.9 -62.0 -42.4 14.3 10.8 9.2 38 38 A D H X S+ 0 0 39 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.909 111.5 48.3 -59.7 -40.9 16.9 11.8 6.6 39 39 A T H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.881 107.0 53.9 -67.7 -40.6 19.6 11.6 9.3 40 40 A L H X>S+ 0 0 1 -4,-2.4 5,-2.4 2,-0.2 4,-0.9 0.880 111.1 48.0 -61.3 -37.3 18.6 8.2 10.6 41 41 A I H ><5S+ 0 0 36 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.925 113.4 45.4 -69.3 -44.5 18.8 6.9 7.0 42 42 A E H 3<5S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.842 110.5 57.2 -67.4 -29.6 22.2 8.4 6.5 43 43 A A H 3<5S- 0 0 8 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.704 132.7 -81.5 -74.0 -21.5 23.2 7.1 9.9 44 44 A G T <<5 + 0 0 22 -4,-0.9 -25,-0.2 -3,-0.6 -3,-0.2 0.504 69.1 154.5 137.1 2.2 22.5 3.5 9.0 45 45 A A < - 0 0 11 -5,-2.4 -1,-0.2 1,-0.2 -25,-0.2 -0.395 25.7-162.5 -63.3 131.9 18.8 2.6 9.2 46 46 A D S S- 0 0 27 -27,-2.2 2,-0.3 1,-0.2 -26,-0.2 0.767 73.5 -5.1 -84.2 -29.4 17.8 -0.3 6.9 47 47 A A S S- 0 0 2 -28,-0.9 2,-0.4 28,-0.2 -1,-0.2 -0.917 70.9-121.8-153.2 174.8 14.1 0.4 7.1 48 48 A L E - f 0 77B 1 28,-2.3 30,-2.8 -2,-0.3 2,-0.5 -0.981 9.7-166.5-132.4 140.7 11.7 2.8 8.9 49 49 A E E -ef 22 78B 2 -28,-2.0 -26,-2.3 -2,-0.4 2,-0.4 -0.988 19.0-169.0-124.0 116.2 8.7 2.2 11.1 50 50 A L E -ef 23 79B 0 28,-3.2 30,-2.4 -2,-0.5 2,-0.4 -0.916 6.0-150.3-112.8 131.7 6.7 5.4 11.6 51 51 A G E -ef 24 80B 2 -28,-2.3 -26,-3.1 -2,-0.4 30,-0.2 -0.797 12.4-158.2-105.9 142.9 4.0 5.9 14.1 52 52 A I - 0 0 12 28,-2.1 30,-0.5 -2,-0.4 33,-0.1 -0.897 39.4-127.1-113.5 91.9 0.9 8.1 14.0 53 53 A P 0 0 74 0, 0.0 29,-0.2 0, 0.0 28,-0.0 0.184 360.0 360.0 -38.5 153.9 0.1 8.4 17.7 54 54 A F 0 0 184 27,-0.1 27,-0.0 30,-0.0 0, 0.0 -0.341 360.0 360.0 -77.3 360.0 -3.3 7.6 19.2 55 ! 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 56 76 A V 0 0 66 0, 0.0 -27,-0.0 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 124.1 0.6 17.9 13.0 57 77 A T > - 0 0 66 1,-0.1 4,-1.6 4,-0.0 3,-0.5 -0.387 360.0-110.0 -82.9 162.3 -2.5 16.3 11.6 58 78 A P H > S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.857 120.1 59.4 -59.5 -32.8 -2.7 12.8 10.2 59 79 A A H > S+ 0 0 38 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.876 105.4 47.3 -62.9 -38.4 -3.1 14.4 6.8 60 80 A Q H > S+ 0 0 79 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.809 106.4 58.8 -72.5 -30.5 0.2 16.2 7.1 61 81 A C H X S+ 0 0 4 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.854 104.8 50.2 -67.3 -32.9 1.8 12.9 8.3 62 82 A F H X S+ 0 0 7 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.796 107.0 53.2 -74.9 -27.8 0.8 11.4 5.0 63 83 A E H X S+ 0 0 119 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.861 109.5 50.6 -71.9 -35.0 2.3 14.3 3.1 64 84 A M H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.908 107.6 51.9 -66.0 -43.4 5.5 13.6 5.1 65 85 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.887 109.3 51.2 -59.8 -38.4 5.3 9.9 4.1 66 86 A A H X S+ 0 0 23 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.896 110.3 48.3 -65.0 -41.3 5.0 11.0 0.5 67 87 A I H X S+ 0 0 61 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.849 112.3 49.0 -68.5 -35.8 8.1 13.3 0.8 68 88 A I H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.943 111.3 48.9 -69.0 -46.2 10.1 10.5 2.4 69 89 A R H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 109.7 53.3 -59.6 -41.8 9.1 8.0 -0.3 70 90 A E H < S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 115.1 39.4 -60.4 -42.1 10.0 10.6 -3.0 71 91 A K H < S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.749 125.4 35.5 -80.7 -26.4 13.5 11.1 -1.5 72 92 A H < + 0 0 35 -4,-2.3 3,-0.3 -5,-0.1 -1,-0.2 -0.667 66.3 172.8-130.4 75.9 14.2 7.4 -0.6 73 93 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.694 77.0 41.2 -57.2 -24.5 12.6 5.2 -3.3 74 94 A T S S+ 0 0 116 2,-0.1 -67,-0.1 -67,-0.0 -5,-0.1 0.738 85.4 101.7-100.0 -25.4 14.1 1.9 -2.0 75 95 A I S S- 0 0 12 -3,-0.3 2,-0.2 -6,-0.1 -28,-0.2 -0.393 75.0-119.0 -67.8 130.8 13.8 2.1 1.7 76 96 A P - 0 0 2 0, 0.0 -28,-2.3 0, 0.0 2,-0.5 -0.486 28.3-161.4 -68.8 135.0 10.9 0.1 3.2 77 97 A I E -f 48 0B 2 25,-0.3 27,-2.5 -2,-0.2 28,-1.3 -0.980 7.1-172.4-123.0 119.3 8.5 2.3 5.1 78 98 A G E -fg 49 105B 0 -30,-2.8 -28,-3.2 -2,-0.5 2,-0.4 -0.893 10.8-146.5-113.7 145.7 6.1 0.8 7.6 79 99 A L E -fg 50 106B 0 26,-2.5 28,-2.7 -2,-0.4 2,-0.5 -0.871 7.0-166.3-110.6 142.0 3.3 2.6 9.4 80 100 A L E +fg 51 107B 23 -30,-2.4 -28,-2.1 -2,-0.4 2,-0.3 -0.995 29.9 139.7-126.0 120.4 2.1 1.8 12.9 81 101 A M E - g 0 108B 0 26,-2.2 28,-1.8 -2,-0.5 29,-0.4 -0.899 45.5 -95.0-150.4-179.3 -1.3 3.3 13.9 82 102 A Y >> - 0 0 76 -30,-0.5 3,-1.7 -2,-0.3 4,-0.9 -0.797 31.6-115.2-108.6 151.0 -4.5 2.7 15.7 83 103 A A H 3> S+ 0 0 9 -2,-0.3 4,-2.7 1,-0.3 3,-0.3 0.792 108.2 68.3 -48.1 -39.8 -7.9 1.6 14.3 84 104 A N H 3> S+ 0 0 77 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.844 99.1 52.4 -52.6 -35.5 -9.7 4.8 15.1 85 105 A L H <> S+ 0 0 30 -3,-1.7 4,-0.5 2,-0.2 -1,-0.3 0.908 110.3 46.5 -67.1 -43.4 -7.6 6.5 12.4 86 106 A V H >X S+ 0 0 1 -4,-0.9 3,-0.9 -3,-0.3 4,-0.8 0.913 111.7 51.1 -64.8 -45.4 -8.6 3.9 9.8 87 107 A F H 3< S+ 0 0 128 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.779 90.7 82.0 -63.5 -28.2 -12.3 4.1 10.7 88 108 A N H 3< S+ 0 0 115 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.830 117.6 2.3 -48.3 -41.0 -12.2 7.8 10.4 89 109 A K H << S- 0 0 151 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.229 124.9 -67.6-135.2 16.4 -12.6 7.7 6.6 90 110 A G X - 0 0 22 -4,-0.8 4,-2.0 -3,-0.2 -1,-0.2 0.141 33.9-109.9 107.1 138.3 -12.9 4.0 5.8 91 111 A I H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.973 118.1 43.6 -63.1 -56.7 -10.7 0.9 5.9 92 112 A D H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 113.9 52.9 -56.9 -40.8 -10.4 0.5 2.1 93 113 A E H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 107.1 52.0 -62.2 -40.2 -9.9 4.3 1.8 94 114 A F H X S+ 0 0 16 -4,-2.0 4,-1.9 -8,-0.2 -2,-0.2 0.949 112.0 44.4 -62.9 -48.9 -7.1 4.3 4.3 95 115 A Y H X S+ 0 0 3 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.806 109.4 57.1 -67.8 -27.5 -5.1 1.5 2.6 96 116 A A H X S+ 0 0 32 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.915 107.5 48.9 -67.1 -40.5 -5.7 3.1 -0.8 97 117 A R H X S+ 0 0 88 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.879 109.5 51.7 -65.3 -40.6 -4.0 6.2 0.6 98 118 A C H X>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-1.4 0.940 111.3 47.1 -62.2 -46.0 -1.1 4.2 1.9 99 119 A E H <5S+ 0 0 78 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.924 110.8 53.8 -60.4 -43.9 -0.6 2.5 -1.5 100 120 A K H <5S+ 0 0 172 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 112.6 40.9 -56.4 -50.2 -0.8 5.9 -3.2 101 121 A V H <5S- 0 0 19 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.651 120.1-105.8 -76.7 -16.0 1.9 7.5 -1.0 102 122 A G T <5 + 0 0 14 -4,-1.4 2,-0.3 -3,-0.2 -25,-0.3 0.732 55.8 165.5 99.4 24.7 4.1 4.4 -1.2 103 123 A V < - 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