==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-OCT-08 2ZTK . COMPND 2 MOLECULE: HOMOCITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.OKADA,T.TOMITA,T.KUZUYAMA,M.NISHIYAMA . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 0 2 1 3 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 1 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 . 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 . 1 0 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 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 0 147 0, 0.0 2,-0.3 0, 0.0 237,-0.0 0.000 360.0 360.0 360.0 107.9 -60.8 51.2 -14.4 2 2 A R - 0 0 105 206,-0.1 2,-0.4 207,-0.0 203,-0.1 -0.765 360.0-168.5 45.7 54.2 -58.8 49.9 -16.1 3 3 A E + 0 0 131 -2,-0.3 2,-0.3 201,-0.1 204,-0.0 -0.934 20.6 145.1-106.3 140.4 -56.7 49.8 -13.0 4 4 A W - 0 0 4 -2,-0.4 2,-0.3 207,-0.0 206,-0.2 -0.970 32.8-140.2-165.5 165.4 -53.0 48.8 -13.6 5 5 A K E -a 210 0A 87 204,-2.1 206,-2.2 -2,-0.3 2,-0.4 -0.919 20.3-117.2-134.6 160.8 -49.5 49.4 -12.4 6 6 A I E -a 211 0A 0 -2,-0.3 35,-1.5 204,-0.2 2,-0.7 -0.850 11.7-160.6-103.6 135.1 -46.1 49.8 -14.0 7 7 A I E -ab 212 41A 0 204,-2.5 206,-2.2 -2,-0.4 2,-0.4 -0.954 17.9-151.9-105.8 104.5 -43.2 47.4 -13.4 8 8 A D E -ab 213 42A 0 33,-2.5 35,-3.1 -2,-0.7 206,-0.2 -0.649 16.8-179.0 -76.5 135.9 -40.1 49.4 -14.5 9 9 A S E > > + 0 0 0 204,-3.0 3,-2.1 -2,-0.4 5,-1.2 0.039 41.8 121.7-124.2 23.7 -37.4 47.1 -15.7 10 10 A T E 3 5S+ 0 0 0 1,-0.3 -1,-0.1 203,-0.3 204,-0.1 0.832 81.3 48.1 -57.8 -29.4 -34.7 49.7 -16.5 11 11 A L E 3 5S+ b 0 44A 1 32,-0.6 34,-2.2 3,-0.2 -1,-0.3 0.165 126.3 25.5 -99.2 16.3 -32.4 47.8 -14.0 12 12 A R T X>5S+ 0 0 16 -3,-2.1 3,-1.2 32,-0.3 4,-0.8 0.265 138.8 20.8-133.5 -81.7 -33.1 44.4 -15.5 13 13 A E G >45S+ 0 0 3 -4,-0.5 3,-1.2 1,-0.3 -3,-0.2 0.910 122.8 68.2 -53.1 -53.4 -34.2 44.6 -19.1 14 14 A G G >4 - 0 0 57 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.435 35.8-103.0 -73.2 164.3 -22.7 51.4 -11.5 24 24 A T H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.897 126.6 51.0 -52.4 -43.1 -24.4 50.6 -8.2 25 25 A Q H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 104.8 55.7 -68.7 -33.4 -24.8 54.3 -7.7 26 26 A D H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 110.3 46.6 -59.5 -46.2 -26.4 54.7 -11.2 27 27 A K H X S+ 0 0 7 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.909 111.5 50.0 -65.5 -41.8 -29.0 52.1 -10.2 28 28 A V H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 111.4 49.7 -64.6 -40.7 -29.7 53.7 -6.9 29 29 A E H X S+ 0 0 87 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 113.5 45.7 -60.2 -48.0 -30.1 57.0 -8.6 30 30 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.963 113.0 49.9 -60.3 -50.2 -32.5 55.5 -11.1 31 31 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.863 111.1 48.4 -60.4 -40.0 -34.5 53.6 -8.5 32 32 A K H X S+ 0 0 124 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.869 111.6 49.3 -69.0 -38.2 -34.9 56.7 -6.3 33 33 A A H X S+ 0 0 19 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.905 112.3 48.6 -65.0 -42.1 -36.0 58.9 -9.2 34 34 A L H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-1.4 0.909 111.3 50.5 -62.4 -39.5 -38.6 56.1 -10.2 35 35 A D H <5S+ 0 0 35 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.926 111.0 48.1 -67.3 -42.1 -39.8 55.9 -6.7 36 36 A E H <5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.1 56.0 -62.1 -39.3 -40.3 59.6 -6.5 37 37 A F H <5S- 0 0 2 -4,-2.2 210,-2.3 -5,-0.2 -1,-0.2 0.821 122.0-110.8 -61.5 -30.4 -42.1 59.5 -9.8 38 38 A G T <5 + 0 0 27 -4,-1.4 -3,-0.2 -3,-0.2 -2,-0.1 0.520 55.0 166.8 110.3 9.9 -44.5 57.0 -8.2 39 39 A I < - 0 0 2 -5,-2.3 -1,-0.2 1,-0.1 -32,-0.1 -0.276 28.9-146.7 -57.8 138.6 -43.5 53.8 -10.1 40 40 A E S S+ 0 0 39 -34,-0.6 28,-2.4 1,-0.2 2,-0.3 0.815 73.0 22.4 -84.8 -31.6 -45.0 50.8 -8.3 41 41 A Y E -bc 7 68A 5 -35,-1.5 -33,-2.5 26,-0.2 2,-0.5 -0.993 55.7-161.5-137.6 145.7 -42.4 48.1 -9.0 42 42 A I E -bc 8 69A 0 26,-2.6 28,-2.5 -2,-0.3 2,-0.4 -0.981 16.1-157.3-127.8 118.1 -38.7 48.1 -9.9 43 43 A E E - c 0 70A 0 -35,-3.1 -32,-0.6 -2,-0.5 2,-0.3 -0.792 10.1-163.9-101.7 139.0 -37.4 44.9 -11.4 44 44 A V E -bc 11 71A 4 26,-2.7 28,-1.8 -2,-0.4 -32,-0.3 -0.909 27.8 -85.7-128.8 151.4 -33.7 44.1 -11.2 45 45 A T - 0 0 21 -34,-2.2 12,-0.1 -2,-0.3 -1,-0.1 -0.059 60.7 -83.3 -50.1 145.7 -31.3 41.7 -12.9 46 46 A T > - 0 0 35 26,-0.3 3,-1.4 1,-0.2 4,-0.3 -0.192 30.2-136.0 -54.1 138.9 -31.0 38.2 -11.5 47 47 A P T 3 S+ 0 0 4 0, 0.0 7,-0.7 0, 0.0 3,-0.4 0.672 101.3 69.5 -72.0 -15.5 -28.6 38.0 -8.6 48 48 A V T 3 S+ 0 0 82 1,-0.2 -2,-0.1 5,-0.1 25,-0.0 0.678 79.3 80.2 -74.0 -16.0 -27.2 34.9 -10.1 49 49 A A S < S- 0 0 63 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.881 112.0 -30.9 -62.4 -42.9 -25.6 36.9 -13.0 50 50 A S >> - 0 0 52 -3,-0.4 4,-2.2 -4,-0.3 3,-0.5 -0.971 63.3 -98.1-169.8 168.1 -22.6 38.1 -11.1 51 51 A P H 3> S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.934 124.4 55.5 -83.3 -31.7 -21.7 39.0 -7.6 52 52 A Q H 3> S+ 0 0 94 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.752 103.4 53.3 -2.8 -65.2 -22.2 42.5 -8.5 53 53 A S H <> S+ 0 0 7 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.944 110.1 49.6 -69.6 -39.1 -25.7 41.8 -9.7 54 54 A R H X S+ 0 0 80 -4,-2.2 4,-2.8 -7,-0.7 -2,-0.2 0.952 111.5 47.6 -56.9 -54.3 -26.4 40.1 -6.3 55 55 A K H X S+ 0 0 89 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.916 111.3 50.9 -52.0 -50.4 -25.0 43.1 -4.4 56 56 A D H X S+ 0 0 7 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.910 110.7 49.0 -56.8 -43.5 -27.0 45.5 -6.4 57 57 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 110.8 51.4 -61.9 -43.5 -30.2 43.5 -5.8 58 58 A E H X S+ 0 0 66 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.961 114.7 42.0 -58.6 -50.2 -29.4 43.5 -2.1 59 59 A V H >< S+ 0 0 59 -4,-2.9 3,-1.3 1,-0.2 4,-0.3 0.946 114.0 50.6 -61.5 -52.0 -28.9 47.2 -2.0 60 60 A L H >< S+ 0 0 4 -4,-3.0 3,-1.2 1,-0.3 5,-0.4 0.908 109.7 50.6 -55.1 -43.4 -31.9 48.1 -4.2 61 61 A A H 3< S+ 0 0 10 -4,-2.4 -1,-0.3 1,-0.3 3,-0.2 0.608 113.5 45.9 -71.9 -13.3 -34.3 45.9 -2.1 62 62 A S T << S+ 0 0 100 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.224 78.9 102.5-114.4 11.3 -33.1 47.5 1.1 63 63 A L S < S- 0 0 57 -3,-1.2 -1,-0.1 -4,-0.3 -2,-0.1 0.589 89.7-122.4 -69.6 -9.8 -33.3 51.2 -0.0 64 64 A G + 0 0 74 -3,-0.2 -3,-0.1 1,-0.2 -2,-0.1 0.772 52.2 165.9 66.6 29.2 -36.5 51.6 1.8 65 65 A L - 0 0 31 -5,-0.4 -1,-0.2 1,-0.1 4,-0.1 -0.312 46.8-130.9 -68.0 156.2 -38.4 52.7 -1.4 66 66 A K S S+ 0 0 196 2,-0.1 -1,-0.1 -27,-0.0 -2,-0.0 0.885 90.9 82.9 -70.7 -39.8 -42.2 52.9 -1.5 67 67 A A S S- 0 0 4 -36,-0.1 2,-0.3 1,-0.1 -26,-0.2 -0.280 91.0-114.0 -57.5 143.7 -41.9 50.8 -4.8 68 68 A K E -c 41 0A 74 -28,-2.4 -26,-2.6 21,-0.1 2,-0.5 -0.679 25.6-140.1 -80.8 137.1 -41.6 47.0 -4.5 69 69 A V E +c 42 0A 2 -2,-0.3 20,-2.3 -28,-0.2 21,-1.2 -0.861 25.8 179.3-104.0 133.7 -38.3 45.8 -5.7 70 70 A V E -cd 43 90A 1 -28,-2.5 -26,-2.7 -2,-0.5 2,-0.3 -0.947 17.1-142.6-137.2 142.1 -38.4 42.5 -7.5 71 71 A T E -cd 44 91A 0 19,-2.0 21,-3.4 -2,-0.3 2,-0.5 -0.867 11.3-135.5-113.7 154.9 -35.9 40.3 -9.2 72 72 A H E + d 0 92A 26 -28,-1.8 2,-0.3 -2,-0.3 -26,-0.3 -0.891 32.9 163.8-110.4 122.5 -36.1 38.3 -12.5 73 73 A I E - d 0 93A 1 19,-2.2 21,-2.3 -2,-0.5 2,-0.0 -0.954 43.6 -96.8-135.3 156.7 -34.8 34.8 -12.5 74 74 A Q E - d 0 94A 125 -2,-0.3 2,-2.1 19,-0.2 21,-0.2 -0.372 55.6 -99.6 -57.1 151.3 -34.9 31.5 -14.5 75 75 A C S S+ 0 0 18 19,-1.6 2,-0.3 18,-0.1 37,-0.1 -0.524 80.6 127.6 -81.1 75.3 -37.5 29.2 -13.0 76 76 A R > - 0 0 122 -2,-2.1 4,-2.1 1,-0.1 5,-0.2 -0.984 66.2-129.0-136.1 146.4 -35.0 27.1 -11.1 77 77 A L H > S+ 0 0 63 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.882 108.5 51.9 -57.8 -41.7 -34.5 26.0 -7.5 78 78 A D H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 111.8 44.4 -67.3 -44.8 -30.9 27.2 -7.3 79 79 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 109.4 57.6 -66.8 -34.4 -31.7 30.7 -8.6 80 80 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.887 103.3 53.6 -65.1 -38.6 -34.7 31.0 -6.3 81 81 A K H X S+ 0 0 110 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.981 111.3 44.8 -58.5 -55.6 -32.5 30.3 -3.3 82 82 A V H X S+ 0 0 42 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.907 113.2 53.6 -51.5 -44.4 -30.1 33.1 -4.2 83 83 A A H ><>S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 5,-0.7 0.928 107.7 46.3 -61.5 -49.3 -33.1 35.4 -5.0 84 84 A V H ><5S+ 0 0 26 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.899 106.1 61.0 -63.0 -36.3 -34.9 35.0 -1.7 85 85 A E H 3<5S+ 0 0 127 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.693 93.4 67.1 -64.5 -16.4 -31.6 35.6 0.2 86 86 A T T <<5S- 0 0 7 -3,-1.2 -1,-0.3 -4,-0.7 -25,-0.2 0.580 105.7-123.6 -80.6 -11.2 -31.4 39.0 -1.4 87 87 A G T < 5 + 0 0 42 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.577 50.7 161.4 78.7 8.8 -34.4 40.4 0.5 88 88 A V < - 0 0 4 -5,-0.7 -18,-0.2 1,-0.1 -1,-0.2 -0.221 43.3-134.2 -57.1 154.5 -36.4 41.4 -2.7 89 89 A Q S S+ 0 0 68 -20,-2.3 35,-2.4 1,-0.1 2,-0.3 0.581 85.5 25.3 -85.5 -12.9 -40.1 42.0 -2.1 90 90 A G E -de 70 124A 1 -21,-1.2 -19,-2.0 33,-0.2 2,-0.4 -0.992 60.4-150.9-147.8 153.3 -40.9 40.0 -5.3 91 91 A I E -de 71 125A 0 33,-3.0 35,-2.3 -2,-0.3 2,-0.8 -0.990 10.6-157.0-127.4 122.6 -39.5 37.3 -7.6 92 92 A D E -de 72 126A 1 -21,-3.4 -19,-2.2 -2,-0.4 2,-0.3 -0.877 16.3-155.8 -97.6 103.6 -40.5 37.2 -11.3 93 93 A L E -de 73 127A 0 33,-3.1 35,-1.9 -2,-0.8 2,-0.5 -0.646 8.3-164.7 -83.1 136.8 -40.0 33.7 -12.6 94 94 A L E -de 74 128A 33 -21,-2.3 -19,-1.6 -2,-0.3 2,-0.8 -0.970 9.5-153.2-119.0 115.2 -39.4 33.1 -16.3 95 95 A F E - e 0 129A 30 33,-3.5 35,-2.7 -2,-0.5 -21,-0.1 -0.795 31.1-132.3 -83.8 111.0 -39.9 29.5 -17.5 96 96 A G 0 0 39 -2,-0.8 -1,-0.0 33,-0.2 33,-0.0 -0.249 360.0 360.0 -73.5 152.4 -37.5 29.4 -20.5 97 97 A T 0 0 101 32,-0.0 -1,-0.1 38,-0.0 34,-0.0 0.976 360.0 360.0 -77.4 360.0 -38.3 28.1 -24.0 98 ! 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 99 106 A G 0 0 119 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 138.5 -41.6 19.8 -26.6 100 107 A R - 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