==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-AUG-12 4GO7 . COMPND 2 MOLECULE: ASPARTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.YANG,X.LI . 166 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 26.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 2 0 1 1 0 2 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 . 0 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 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 X S 0 0 180 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -20.3 0.8 7.3 12.9 2 -16 X I 0 0 75 1,-0.1 7,-0.1 0, 0.0 163,-0.0 0.843 360.0 360.0 -75.2 -36.3 -1.5 8.2 10.0 3 -15 X H 0 0 193 8,-0.0 -1,-0.1 103,-0.0 6,-0.0 -0.149 360.0 360.0 68.1 360.0 0.4 5.5 8.0 4 ! 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 5 1 X M 0 0 169 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 -10.9 8.1 6.2 6 2 X E + 0 0 179 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.714 360.0 54.2 -71.8 -27.2 -12.8 9.7 3.3 7 3 X D S S- 0 0 64 1,-0.1 161,-0.1 104,-0.0 2,-0.1 -0.745 94.5 -94.7-103.9 157.3 -10.0 11.8 1.7 8 4 X P - 0 0 1 0, 0.0 159,-3.0 0, 0.0 2,-0.6 -0.412 29.1-132.4 -66.8 150.1 -6.7 10.6 0.5 9 5 X I E -AB 106 166A 18 97,-2.4 97,-2.1 157,-0.2 2,-0.5 -0.893 17.9-163.0 -97.2 118.5 -3.6 10.7 2.7 10 6 X L E +AB 105 165A 0 155,-2.6 155,-2.6 -2,-0.6 95,-0.3 -0.911 15.7 169.6-102.6 124.6 -0.6 12.1 0.9 11 7 X T E - 0 0 59 93,-2.6 2,-0.3 -2,-0.5 94,-0.2 0.627 56.1 -40.9-110.2 -21.8 2.8 11.4 2.7 12 8 X G E -A 104 0A 19 92,-1.4 92,-2.9 153,-0.1 2,-0.5 -0.993 46.9 -97.1 175.3 178.1 5.5 12.4 0.1 13 9 X V E -A 103 0A 16 -2,-0.3 2,-0.3 90,-0.2 90,-0.2 -0.997 37.6-161.0-121.0 116.4 6.9 12.7 -3.4 14 10 X A E -A 102 0A 43 88,-2.1 88,-2.6 -2,-0.5 2,-0.4 -0.722 6.0-166.9 -99.2 146.1 9.4 9.9 -4.1 15 11 X H E -A 101 0A 122 -2,-0.3 2,-0.5 86,-0.2 86,-0.2 -0.998 4.1-170.0-142.8 132.2 11.8 10.3 -7.0 16 12 X D E +A 100 0A 47 84,-2.6 84,-2.6 -2,-0.4 3,-0.2 -0.973 19.3 169.5-140.1 124.1 14.1 7.7 -8.6 17 13 X R + 0 0 108 -2,-0.5 -1,-0.1 82,-0.2 81,-0.1 0.293 68.9 78.7-108.6 1.1 16.9 8.2 -11.0 18 14 X S S S+ 0 0 58 82,-0.1 52,-2.5 79,-0.0 53,-0.4 0.308 73.2 91.5-100.0 3.2 18.3 4.7 -10.8 19 15 X E E -E 69 0B 13 79,-0.3 79,-0.6 50,-0.3 2,-0.3 -0.685 51.0-157.1 -99.3 157.8 15.8 2.7 -13.0 20 16 X A E -E 68 0B 0 48,-2.6 48,-2.3 -2,-0.2 2,-0.5 -0.878 19.6-129.5-122.2 158.6 15.6 1.6 -16.7 21 17 X K E -EF 67 95B 42 74,-2.2 74,-2.0 -2,-0.3 2,-0.5 -0.951 18.0-166.8-107.6 122.8 12.4 0.7 -18.6 22 18 X V E -EF 66 94B 0 44,-3.2 44,-2.5 -2,-0.5 2,-0.5 -0.960 4.4-166.9-107.0 126.6 12.3 -2.6 -20.7 23 19 X T E -EF 65 93B 9 70,-2.7 70,-3.0 -2,-0.5 2,-0.8 -0.981 11.9-153.0-117.1 125.1 9.3 -3.1 -23.1 24 20 X I E -EF 64 92B 0 40,-3.3 40,-1.8 -2,-0.5 2,-0.4 -0.887 24.2-156.3 -90.7 110.3 8.6 -6.4 -24.7 25 21 X V E + F 0 91B 14 66,-2.6 65,-2.6 -2,-0.8 66,-1.4 -0.771 61.5 10.8-101.3 130.7 6.9 -5.5 -27.9 26 22 X G E S+ 0 0 2 -2,-0.4 -1,-0.2 63,-0.2 37,-0.2 0.876 73.9 172.3 77.1 42.0 4.5 -7.8 -29.9 27 23 X L E -E 62 0B 0 35,-3.6 35,-2.5 -3,-0.4 -1,-0.2 -0.635 44.2-102.0 -81.2 132.1 4.0 -10.6 -27.3 28 24 X P E -E 61 0B 23 0, 0.0 2,-1.2 0, 0.0 33,-0.3 -0.314 28.8-134.8 -53.1 135.0 1.3 -13.0 -28.3 29 25 X D + 0 0 28 31,-2.6 31,-0.1 4,-0.1 32,-0.1 -0.378 68.2 103.3 -89.6 57.2 -1.8 -12.2 -26.4 30 26 X I S > S- 0 0 94 -2,-1.2 3,-1.4 140,-0.2 4,-0.3 -0.918 82.1 -62.8-136.7 161.0 -2.7 -15.7 -25.3 31 27 X P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.021 113.1 21.6 -56.2 141.3 -2.3 -17.6 -22.0 32 28 X G T 3> S+ 0 0 35 138,-0.3 4,-1.5 -3,-0.0 5,-0.1 0.282 87.8 102.5 91.8 -7.0 1.2 -18.2 -20.7 33 29 X Y H <> S+ 0 0 53 -3,-1.4 4,-1.9 137,-0.5 5,-0.2 0.918 81.5 50.1 -73.7 -41.1 3.2 -15.5 -22.4 34 30 X A H > S+ 0 0 20 136,-2.9 4,-3.1 -4,-0.3 5,-0.2 0.959 110.8 54.6 -57.4 -43.2 3.4 -13.1 -19.4 35 31 X A H > S+ 0 0 62 135,-0.6 4,-2.7 1,-0.2 5,-0.3 0.890 104.6 51.2 -53.7 -47.3 4.6 -16.1 -17.5 36 32 X K H X S+ 0 0 83 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.927 112.5 46.8 -59.2 -46.6 7.4 -16.8 -20.0 37 33 X V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.952 116.3 42.9 -61.1 -51.9 8.6 -13.2 -19.7 38 34 X F H X S+ 0 0 55 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.888 113.3 50.3 -70.9 -32.8 8.5 -13.0 -15.9 39 35 X R H X S+ 0 0 158 -4,-2.7 4,-3.4 -5,-0.2 -1,-0.2 0.914 110.4 51.6 -65.6 -42.1 10.0 -16.4 -15.3 40 36 X A H X S+ 0 0 4 -4,-1.9 4,-1.5 -5,-0.3 -2,-0.2 0.933 112.8 44.6 -58.9 -47.5 12.9 -15.6 -17.6 41 37 X V H <>S+ 0 0 2 -4,-2.0 5,-2.0 1,-0.2 -2,-0.2 0.902 115.8 46.9 -64.8 -41.2 13.6 -12.3 -15.8 42 38 X A H ><5S+ 0 0 49 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.880 107.7 58.1 -65.6 -38.3 13.2 -14.1 -12.4 43 39 X D H 3<5S+ 0 0 102 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.826 103.5 52.4 -62.2 -33.7 15.5 -16.9 -13.7 44 40 X A T 3<5S- 0 0 40 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.260 117.2-118.2 -85.3 11.3 18.2 -14.4 -14.3 45 41 X D T < 5 + 0 0 134 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.785 59.8 155.9 61.1 30.5 17.8 -13.1 -10.7 46 42 X V < - 0 0 11 -5,-2.0 2,-0.9 29,-0.1 -1,-0.2 -0.771 38.8-137.0 -91.8 129.1 16.7 -9.6 -12.0 47 43 X N - 0 0 136 -2,-0.5 22,-0.5 22,-0.0 2,-0.3 -0.691 20.1-158.2 -89.0 107.8 14.6 -7.6 -9.6 48 44 X I - 0 0 58 -2,-0.9 20,-0.2 1,-0.1 3,-0.1 -0.648 14.1-178.3 -90.0 144.6 11.7 -5.8 -11.3 49 45 X D + 0 0 66 18,-2.8 -1,-0.1 1,-0.3 2,-0.1 0.757 64.0 21.4 -96.3 -95.7 9.8 -2.8 -9.9 50 46 X M - 0 0 4 18,-0.0 17,-2.4 2,-0.0 2,-0.3 -0.533 63.2-170.8 -78.2 147.2 6.8 -1.5 -12.0 51 47 X V E +G 66 0B 69 15,-0.3 2,-0.4 -2,-0.1 15,-0.3 -0.995 6.5 177.3-130.5 136.1 5.1 -3.8 -14.5 52 48 X L E +G 65 0B 42 13,-3.4 13,-2.5 -2,-0.3 2,-0.4 -0.998 13.9 170.0-138.3 135.7 2.5 -2.6 -17.0 53 49 X Q - 0 0 83 -2,-0.4 11,-0.2 11,-0.2 2,-0.1 -0.939 17.3-179.8-142.5 119.5 0.5 -4.3 -19.7 54 50 X N - 0 0 126 9,-0.5 9,-0.2 -2,-0.4 -2,-0.0 -0.287 43.6 -36.7-103.0-173.6 -2.3 -2.3 -21.3 55 51 X V - 0 0 121 -2,-0.1 -1,-0.3 1,-0.1 8,-0.3 -0.083 65.8-119.0 -35.9 140.2 -4.9 -3.1 -24.1 56 52 X S 0 0 44 1,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.491 360.0 360.0 -93.2 163.6 -3.7 -5.2 -27.1 57 53 X K 0 0 153 4,-2.3 4,-0.3 -2,-0.1 -1,-0.1 -0.260 360.0 360.0 -56.8 360.0 -3.5 -4.5 -31.0 58 ! 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 59 56 X D 0 0 161 0, 0.0 2,-0.5 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 150.5 -6.5 -11.2 -28.6 60 57 X G - 0 0 54 -31,-0.1 -31,-2.6 -4,-0.1 2,-0.3 -0.691 360.0 -28.7 87.9-123.8 -3.7 -10.7 -31.1 61 58 X K E +E 28 0B 107 -2,-0.5 -4,-2.3 -4,-0.3 2,-0.3 -0.957 59.1 176.6-131.6 152.3 -0.4 -9.3 -29.8 62 59 X T E -E 27 0B 2 -35,-2.5 -35,-3.6 -2,-0.3 2,-0.3 -0.850 24.2-109.5-145.4 177.2 0.4 -6.9 -27.0 63 60 X D E - 0 0 51 -8,-0.3 -9,-0.5 -2,-0.3 2,-0.4 -0.910 15.8-162.0-115.4 150.9 3.2 -5.2 -25.1 64 61 X I E -E 24 0B 0 -40,-1.8 -40,-3.3 -2,-0.3 2,-0.4 -1.000 9.7-171.3-130.2 120.8 4.6 -5.6 -21.5 65 62 X T E +EG 23 52B 19 -13,-2.5 -13,-3.4 -2,-0.4 2,-0.3 -0.930 8.1 170.9-111.1 141.0 6.8 -3.0 -19.9 66 63 X F E -EG 22 51B 0 -44,-2.5 -44,-3.2 -2,-0.4 2,-0.4 -0.957 22.4-136.1-138.3 157.5 8.6 -3.3 -16.6 67 64 X T E +E 21 0B 0 -17,-2.4 -18,-2.8 -2,-0.3 2,-0.3 -0.878 28.2 160.3-109.3 155.1 11.2 -1.2 -14.8 68 65 X C E -E 20 0B 2 -48,-2.3 -48,-2.6 -2,-0.4 2,-0.2 -0.868 49.8 -59.5-151.5 179.7 14.3 -2.5 -13.1 69 66 X S E >> -E 19 0B 46 -22,-0.5 3,-1.4 -2,-0.3 4,-0.8 -0.550 43.0-127.6 -65.7 137.6 17.7 -1.1 -11.9 70 67 X R G >4 S+ 0 0 65 -52,-2.5 3,-0.8 1,-0.2 -1,-0.1 0.847 108.0 64.3 -42.1 -38.3 19.8 0.5 -14.7 71 68 X D G 34 S+ 0 0 126 -53,-0.4 -1,-0.2 1,-0.3 4,-0.2 0.710 111.9 30.6 -71.8 -24.0 22.6 -1.8 -13.6 72 69 X V G <> S+ 0 0 40 -3,-1.4 4,-1.9 2,-0.1 -1,-0.3 0.381 92.2 101.0-110.6 0.1 20.8 -5.0 -14.4 73 70 X G H S+ 0 0 56 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.918 109.7 52.8 -68.0 -38.9 21.2 -5.0 -20.0 75 72 X A H > S+ 0 0 46 -4,-0.2 4,-2.4 1,-0.2 5,-0.2 0.885 110.5 50.2 -58.1 -33.9 21.3 -8.5 -18.4 76 73 X A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.957 110.8 46.7 -72.0 -43.5 17.5 -8.5 -18.4 77 74 X V H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.948 114.7 48.4 -61.3 -42.8 17.3 -7.5 -22.1 78 75 X E H X S+ 0 0 128 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.900 110.6 51.0 -62.8 -44.3 20.0 -10.2 -22.9 79 76 X K H < S+ 0 0 65 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.962 112.6 46.0 -60.0 -47.3 18.2 -12.8 -20.9 80 77 X L H >< S+ 0 0 0 -4,-2.9 3,-1.4 -5,-0.2 7,-0.2 0.921 112.4 49.4 -62.8 -43.8 14.9 -12.0 -22.7 81 78 X D H >< S+ 0 0 87 -4,-2.7 3,-2.1 1,-0.3 4,-0.2 0.868 100.5 64.5 -66.2 -30.0 16.6 -12.0 -26.2 82 79 X S T 3< S+ 0 0 76 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.661 109.2 42.9 -62.4 -14.8 18.2 -15.3 -25.5 83 80 X L T <> S+ 0 0 43 -3,-1.4 4,-3.2 -4,-0.5 5,-0.4 0.070 74.3 123.4-118.1 23.4 14.6 -16.5 -25.4 84 81 X R H <> S+ 0 0 134 -3,-2.1 4,-2.9 1,-0.2 5,-0.4 0.863 74.9 51.7 -57.2 -40.6 13.2 -14.7 -28.4 85 82 X N H 4 S+ 0 0 124 -4,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.933 115.1 39.9 -61.5 -47.9 12.1 -17.9 -30.0 86 83 X E H 4 S+ 0 0 94 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.936 121.4 43.1 -69.7 -41.9 10.1 -19.2 -27.0 87 84 X I H < S- 0 0 1 -4,-3.2 -2,-0.2 -7,-0.2 -3,-0.2 0.846 91.4-150.3 -73.4 -35.9 8.7 -15.7 -26.1 88 85 X G < + 0 0 32 -4,-2.9 -3,-0.1 -5,-0.4 2,-0.1 0.786 35.0 155.5 77.9 23.9 7.8 -14.7 -29.7 89 86 X F - 0 0 17 -5,-0.4 -63,-0.2 -62,-0.1 -1,-0.2 -0.447 39.6-147.8 -83.3 161.7 8.3 -10.9 -29.3 90 87 X S S S+ 0 0 86 -65,-2.6 2,-0.3 1,-0.3 -64,-0.2 0.808 76.1 1.1 -95.0 -32.8 9.1 -8.6 -32.3 91 88 X Q E -F 25 0B 107 -66,-1.4 -66,-2.6 2,-0.0 2,-0.4 -0.985 54.2-144.9-142.3 159.2 11.2 -5.9 -30.5 92 89 X L E -F 24 0B 43 -2,-0.3 2,-0.4 -68,-0.2 -68,-0.2 -0.997 20.9-155.1-118.5 132.1 12.6 -5.1 -27.0 93 90 X L E -F 23 0B 70 -70,-3.0 -70,-2.7 -2,-0.4 2,-0.4 -0.879 8.4-167.9-102.1 141.3 12.8 -1.4 -26.2 94 91 X Y E +F 22 0B 78 -2,-0.4 2,-0.4 -72,-0.2 -72,-0.2 -0.997 11.1 175.3-132.0 128.6 15.3 -0.2 -23.7 95 92 X D E +F 21 0B 32 -74,-2.0 -74,-2.2 -2,-0.4 3,-0.3 -0.938 6.6 171.6-133.7 106.9 15.3 3.3 -22.1 96 93 X D + 0 0 60 -2,-0.4 -76,-0.1 -76,-0.2 -26,-0.1 -0.020 68.3 75.7-108.0 31.0 17.9 3.9 -19.4 97 94 X H + 0 0 98 -76,-0.1 48,-2.1 2,-0.1 2,-0.3 -0.140 67.9 127.9-127.2 33.6 17.2 7.7 -19.2 98 95 X I E - C 0 144A 1 -79,-0.6 2,-0.4 -3,-0.3 -79,-0.3 -0.702 44.6-153.8 -94.3 143.3 14.0 7.6 -17.2 99 96 X G E - 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