==== 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 18-AUG-12 4GO5 . COMPND 2 MOLECULE: ASPARTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR Q.YANG,X.LI . 167 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 70.7 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 . 49 29.3 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 . 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 . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 23.4 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 0 0 0 0 0 0 1 2 0 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 1 0 2 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 134 0, 0.0 10,-0.0 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0-115.0 9.3 3.1 -42.3 2 -16 X I 0 0 87 1,-0.2 7,-0.0 0, 0.0 9,-0.0 0.154 360.0 360.0 -87.7 13.8 9.0 -0.7 -41.7 3 -15 X H 0 0 181 8,-0.0 -1,-0.2 100,-0.0 8,-0.1 -0.423 360.0 360.0 71.5 360.0 6.0 0.6 -39.7 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 0 170 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 8.3 -10.1 -38.5 6 2 X E + 0 0 172 2,-0.1 99,-0.0 0, 0.0 0, 0.0 0.612 360.0 59.6 -96.5 -16.0 9.5 -12.4 -35.6 7 3 X D S S- 0 0 60 162,-0.1 162,-0.1 1,-0.0 2,-0.1 -0.797 93.8 -95.7-110.8 157.1 11.7 -9.8 -33.9 8 4 X P - 0 0 3 0, 0.0 160,-2.4 0, 0.0 2,-0.5 -0.425 28.2-136.1 -73.4 145.6 10.7 -6.4 -32.4 9 5 X I E -AB 104 167A 18 95,-1.9 95,-2.1 158,-0.2 2,-0.6 -0.873 13.9-163.2 -97.9 126.8 11.0 -3.2 -34.4 10 6 X L E +AB 103 166A 0 156,-3.7 156,-2.4 -2,-0.5 93,-0.3 -0.925 13.9 172.7-114.6 109.8 12.4 -0.2 -32.4 11 7 X T E - 0 0 40 91,-0.7 2,-0.3 -2,-0.6 151,-0.2 0.643 56.0 -39.2 -93.3 -17.7 11.7 3.2 -34.2 12 8 X G E -A 102 0A 7 90,-1.3 90,-2.8 154,-0.1 2,-0.5 -0.986 42.6 -98.9 176.3 176.6 12.9 5.5 -31.5 13 9 X V E -A 101 0A 14 -2,-0.3 2,-0.3 88,-0.2 88,-0.2 -0.981 38.4-173.5-119.2 114.1 13.6 7.0 -28.0 14 10 X A E -A 100 0A 44 86,-1.9 86,-2.9 -2,-0.5 2,-0.3 -0.721 4.7-172.0-105.8 159.6 11.2 9.8 -26.9 15 11 X H E -A 99 0A 98 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.990 10.0-169.4-150.1 138.7 11.3 12.0 -23.8 16 12 X D E -A 98 0A 67 82,-2.7 82,-2.4 -2,-0.3 3,-0.1 -0.952 3.0-177.0-133.8 118.4 8.9 14.5 -22.3 17 13 X R E S+ 0 0 109 -2,-0.4 2,-1.5 80,-0.2 -1,-0.1 0.752 71.8 74.4 -84.7 -26.6 10.2 16.7 -19.4 18 14 X S E S+ 0 0 45 80,-0.1 50,-1.6 77,-0.1 2,-0.3 -0.537 71.2 137.6 -91.3 69.5 6.9 18.5 -18.7 19 15 X E E -AC 96 67A 5 -2,-1.5 77,-0.6 77,-1.1 2,-0.4 -0.829 37.2-158.9-119.9 152.0 5.0 15.7 -17.0 20 16 X A E - C 0 66A 0 46,-2.9 46,-1.6 -2,-0.3 2,-0.5 -0.985 8.7-148.2-126.9 144.8 2.8 15.5 -13.9 21 17 X K E -AC 93 65A 29 72,-2.6 72,-2.1 -2,-0.4 2,-0.5 -0.955 15.7-169.4-113.3 125.9 2.0 12.4 -11.8 22 18 X V E -AC 92 64A 0 42,-3.0 42,-2.2 -2,-0.5 2,-0.5 -0.950 5.3-172.0-118.9 130.1 -1.4 12.1 -10.2 23 19 X T E -AC 91 63A 10 68,-2.1 68,-3.2 -2,-0.5 2,-0.7 -0.971 12.3-156.2-122.1 121.5 -2.6 9.6 -7.6 24 20 X I E -AC 90 62A 0 38,-2.9 38,-1.8 -2,-0.5 2,-0.4 -0.843 25.3-158.8 -87.4 116.7 -6.2 9.2 -6.3 25 21 X V E +A 89 0A 23 64,-3.0 63,-2.3 -2,-0.7 64,-1.4 -0.799 57.9 15.8-106.5 137.1 -5.8 7.6 -2.9 26 22 X G E S+ 0 0 9 -2,-0.4 -1,-0.2 61,-0.2 35,-0.2 0.894 71.4 173.3 76.1 41.9 -8.4 5.6 -0.9 27 23 X L E - C 0 60A 1 33,-3.3 33,-2.7 -3,-0.3 -1,-0.2 -0.675 38.8-110.9 -79.6 131.1 -11.0 4.8 -3.6 28 24 X P E - C 0 59A 18 0, 0.0 2,-2.0 0, 0.0 31,-0.3 -0.445 21.8-132.1 -56.8 127.8 -13.8 2.4 -2.6 29 25 X D + 0 0 90 29,-2.9 30,-0.1 -2,-0.1 32,-0.0 -0.322 69.4 121.2 -80.3 57.5 -13.3 -0.8 -4.5 30 26 X I S > S- 0 0 97 -2,-2.0 3,-1.6 1,-0.0 4,-0.4 -0.968 75.4 -96.2-119.5 134.8 -17.0 -0.7 -5.5 31 27 X P T 3 S+ 0 0 126 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.194 107.2 34.9 -49.6 135.7 -18.1 -0.7 -9.2 32 28 X G T 3> S+ 0 0 41 -3,-0.0 4,-1.4 0, 0.0 -3,-0.1 -0.126 95.1 81.9 114.4 -36.7 -18.8 2.9 -10.4 33 29 X Y H <> S+ 0 0 63 -3,-1.6 4,-1.5 2,-0.2 -4,-0.1 0.912 91.3 47.8 -75.1 -46.5 -16.1 4.9 -8.5 34 30 X A H > S+ 0 0 26 -4,-0.4 4,-1.9 1,-0.2 3,-0.3 0.906 109.9 55.7 -55.3 -44.4 -13.2 4.2 -10.8 35 31 X A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 102.7 55.7 -60.1 -37.0 -15.4 5.1 -13.8 36 32 X K H X S+ 0 0 86 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.882 104.0 54.6 -62.4 -38.0 -16.1 8.4 -12.1 37 33 X V H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.3 -2,-0.2 0.949 112.3 41.9 -59.3 -50.0 -12.4 9.2 -12.0 38 34 X F H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.843 112.9 53.4 -69.3 -34.6 -12.0 8.6 -15.7 39 35 X R H X S+ 0 0 157 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.925 106.9 52.7 -64.6 -43.2 -15.2 10.5 -16.6 40 36 X A H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.877 111.3 46.9 -57.4 -40.6 -14.0 13.5 -14.6 41 37 X V H <>S+ 0 0 9 -4,-1.6 5,-2.1 2,-0.2 4,-0.4 0.921 113.5 47.1 -71.0 -43.0 -10.7 13.5 -16.5 42 38 X A H ><5S+ 0 0 49 -4,-2.4 3,-1.1 2,-0.2 -2,-0.2 0.916 111.8 51.3 -61.9 -45.4 -12.5 13.1 -19.9 43 39 X D H 3<5S+ 0 0 101 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.893 111.2 48.1 -58.4 -39.2 -14.9 15.9 -18.9 44 40 X A T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.485 113.4-123.8 -82.0 -3.9 -11.9 18.1 -18.0 45 41 X D T < 5 + 0 0 131 -3,-1.1 2,-0.6 -4,-0.4 -3,-0.2 0.902 56.2 149.4 66.3 45.5 -10.3 17.2 -21.4 46 42 X V < - 0 0 8 -5,-2.1 2,-0.5 27,-0.1 -1,-0.2 -0.946 42.2-140.6-115.2 120.7 -7.0 15.8 -20.1 47 43 X N - 0 0 145 -2,-0.6 20,-0.4 -5,-0.0 2,-0.2 -0.661 28.2-163.9 -75.2 122.2 -5.2 13.0 -22.0 48 44 X I - 0 0 47 -2,-0.5 2,-0.3 18,-0.1 18,-0.2 -0.713 11.2-179.3-111.3 162.3 -3.8 10.6 -19.4 49 45 X D E +D 65 0A 34 16,-1.5 16,-2.4 -2,-0.2 3,-0.1 -0.916 56.4 38.4-151.7 170.0 -1.2 7.9 -19.6 50 46 X M E S+ 0 0 7 -2,-0.3 80,-0.1 14,-0.2 -1,-0.1 0.761 76.4 178.5 55.4 30.3 0.6 5.2 -17.6 51 47 X V E + 0 0 70 -3,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.327 5.8 163.7 -73.7 141.7 -2.7 4.5 -15.9 52 48 X L E -D 63 0A 59 11,-2.0 11,-1.9 -3,-0.1 2,-0.4 -0.983 29.4-141.9-149.2 156.1 -2.9 1.8 -13.3 53 49 X Q E +D 62 0A 108 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 25.2 172.7-117.1 134.1 -5.0 0.5 -10.4 54 50 X N E D 61 0A 67 7,-3.1 7,-3.9 -2,-0.4 -2,-0.0 -0.973 360.0 360.0-133.6 158.4 -3.5 -0.9 -7.2 55 51 X V 0 0 136 -2,-0.3 5,-0.3 5,-0.3 0, 0.0 -0.322 360.0 360.0 -62.4 360.0 -4.9 -2.1 -3.8 56 ! 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 57 56 X D 0 0 180 0, 0.0 3,-0.1 0, 0.0 -28,-0.0 0.000 360.0 360.0 360.0 -38.4 -9.1 -2.5 3.3 58 57 X G + 0 0 58 1,-0.4 -29,-2.9 -30,-0.1 2,-0.2 0.545 360.0 108.0 83.9 9.5 -11.9 -2.5 0.6 59 58 X K E -C 28 0A 80 -31,-0.3 -1,-0.4 -30,-0.1 2,-0.3 -0.719 48.8-167.6-117.2 162.8 -10.1 0.5 -0.9 60 59 X T E -C 27 0A 1 -33,-2.7 -33,-3.3 -5,-0.3 2,-0.4 -0.964 12.0-138.0-144.5 159.0 -8.0 1.0 -4.1 61 60 X D E - D 0 54A 39 -7,-3.9 -7,-3.1 -2,-0.3 2,-0.4 -0.966 9.9-158.5-117.8 146.4 -5.7 3.6 -5.6 62 61 X I E -CD 24 53A 1 -38,-1.8 -38,-2.9 -2,-0.4 2,-0.3 -0.981 10.3-172.0-118.7 135.4 -5.5 4.8 -9.2 63 62 X T E +CD 23 52A 10 -11,-1.9 -11,-2.0 -2,-0.4 2,-0.3 -0.914 12.7 152.3-123.0 148.4 -2.5 6.5 -10.7 64 63 X F E -C 22 0A 0 -42,-2.2 -42,-3.0 -2,-0.3 2,-0.3 -0.963 28.2-131.2-156.1 172.1 -1.8 8.3 -14.1 65 64 X T E +CD 21 49A 0 -16,-2.4 -16,-1.5 -2,-0.3 2,-0.3 -0.788 22.9 168.0-117.6 169.4 0.3 11.0 -15.7 66 65 X C E -C 20 0A 4 -46,-1.6 -46,-2.9 -2,-0.3 -18,-0.1 -0.933 47.4 -68.0-162.5 174.7 -0.5 13.9 -17.9 67 66 X S E >> -C 19 0A 45 -20,-0.4 3,-1.1 -2,-0.3 4,-0.6 -0.418 44.9-122.9 -67.8 148.7 1.3 17.0 -19.2 68 67 X R G >4 S+ 0 0 61 -50,-1.6 3,-1.2 1,-0.2 -49,-0.1 0.853 105.1 69.0 -60.2 -40.1 2.1 19.6 -16.4 69 68 X D G 34 S+ 0 0 124 1,-0.3 -1,-0.2 -51,-0.3 4,-0.2 0.764 113.2 29.9 -55.8 -26.8 0.2 22.4 -18.1 70 69 X V G <> S+ 0 0 44 -3,-1.1 4,-2.3 2,-0.1 -1,-0.3 0.375 94.0 100.3-112.0 -1.3 -3.1 20.6 -17.4 71 70 X G H S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.817 110.6 56.4 -61.6 -34.0 -3.6 21.4 -11.8 73 72 X A H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 105.5 53.8 -63.7 -41.4 -6.8 21.4 -13.8 74 73 X A H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.973 110.7 42.3 -53.1 -60.2 -6.9 17.6 -13.4 75 74 X V H X S+ 0 0 38 -4,-1.8 4,-3.4 1,-0.2 5,-0.2 0.865 111.9 55.5 -64.7 -32.4 -6.7 17.6 -9.6 76 75 X E H X S+ 0 0 127 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.956 109.9 45.4 -60.6 -51.2 -9.1 20.5 -9.3 77 76 X K H X S+ 0 0 71 -4,-2.2 4,-0.6 2,-0.2 -2,-0.2 0.934 114.1 50.5 -54.7 -48.9 -11.7 18.7 -11.3 78 77 X L H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.933 112.2 45.8 -56.3 -49.4 -11.0 15.6 -9.2 79 78 X D H >< S+ 0 0 96 -4,-3.4 3,-2.1 1,-0.3 -1,-0.2 0.838 101.0 66.4 -66.2 -34.0 -11.3 17.5 -5.9 80 79 X S H 3< S+ 0 0 74 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.703 106.2 45.7 -59.8 -17.6 -14.5 19.2 -7.1 81 80 X L T S+ 0 0 35 -2,-0.3 3,-0.6 -97,-0.2 30,-0.2 0.716 74.2 135.2 65.6 23.1 5.8 -6.0 -31.8 106 105 X M G > + 0 0 4 28,-2.6 3,-1.2 1,-0.2 6,-0.2 0.674 49.1 77.2 -76.0 -15.8 7.5 -5.5 -28.4 107 106 X R G 3 S+ 0 0 192 1,-0.3 -1,-0.2 5,-0.1 27,-0.1 0.682 86.4 56.1 -77.6 -20.9 5.1 -7.6 -26.3 108 107 X S G < S+ 0 0 100 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.371 101.2 65.2 -90.0 6.5 6.3 -11.1 -27.2 109 108 X H X> + 0 0 47 -3,-1.2 3,-1.8 1,-0.1 4,-0.6 -0.714 53.1 173.2-131.5 83.6 9.9 -10.2 -26.1 110 109 X P H 3> S+ 0 0 103 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.721 75.6 75.7 -63.1 -20.8 10.1 -9.5 -22.4 111 110 X G H 3> S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.826 87.2 60.1 -57.5 -33.8 13.8 -9.3 -22.8 112 111 X V H <> S+ 0 0 4 -3,-1.8 4,-2.6 -6,-0.2 -1,-0.2 0.952 105.6 46.6 -59.3 -49.5 13.4 -5.9 -24.3 113 112 X T H X S+ 0 0 38 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.846 113.5 49.3 -59.4 -38.2 11.7 -4.6 -21.1 114 113 X A H X S+ 0 0 42 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.889 112.1 46.9 -70.5 -40.4 14.5 -6.2 -19.1 115 114 X T H X S+ 0 0 35 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.845 109.5 56.3 -71.3 -32.1 17.2 -4.6 -21.2 116 115 X F H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.961 112.8 40.3 -58.2 -52.5 15.3 -1.3 -21.0 117 116 X C H X S+ 0 0 37 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 109.8 57.8 -68.7 -38.3 15.5 -1.5 -17.2 118 117 X E H X S+ 0 0 125 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.889 105.0 54.3 -58.3 -37.4 19.1 -2.8 -17.1 119 118 X A H X S+ 0 0 11 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.899 111.1 42.4 -65.1 -42.1 20.1 0.3 -19.0 120 119 X L H ><>S+ 0 0 0 -4,-1.4 5,-2.9 1,-0.2 3,-0.7 0.885 111.9 54.7 -72.6 -37.4 18.5 2.8 -16.6 121 120 X A H ><5S+ 0 0 66 -4,-2.6 3,-2.4 1,-0.2 -2,-0.2 0.919 100.8 60.3 -60.6 -42.8 19.8 0.9 -13.6 122 121 X A H 3<5S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.748 109.7 41.7 -60.5 -26.2 23.4 1.1 -14.9 123 122 X V T <<5S- 0 0 54 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.059 119.8-110.3-105.8 23.9 23.2 4.9 -14.8 124 123 X G T < 5 + 0 0 46 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.731 60.2 160.8 56.7 27.6 21.5 4.8 -11.5 125 124 X V < - 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