==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUL-99 1QK5 . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.HEROUX,E.L.WHITE,L.J.ROSS,R.L.DAVIS,D.W.BORHANI . 432 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.3 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 23.1 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+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 1 1 0 0 0 1 0 1 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 1 1 4 0 2 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 . 4 6 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 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 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 0 166 0, 0.0 66,-0.1 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 130.1 -0.3 17.3 46.4 2 2 A A + 0 0 6 64,-0.2 65,-0.1 66,-0.2 64,-0.1 0.789 360.0 95.0 -66.7 -38.0 1.5 18.9 49.4 3 3 A S + 0 0 67 63,-0.1 156,-0.1 156,-0.1 128,-0.0 -0.356 46.4 155.8 -51.0 142.2 -0.9 17.5 51.9 4 4 A K - 0 0 28 154,-0.4 156,-0.2 -2,-0.0 5,-0.1 -0.880 47.0 -99.4-166.4 132.3 0.2 14.2 53.5 5 5 A P > - 0 0 79 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.253 24.3-132.2 -59.7 137.5 -0.8 12.7 56.9 6 6 A I G > S+ 0 0 47 1,-0.3 3,-1.9 2,-0.2 153,-0.1 0.838 106.0 63.9 -56.7 -34.3 1.8 13.3 59.7 7 7 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.701 92.4 65.0 -66.6 -16.4 1.5 9.5 60.6 8 8 A D G X S+ 0 0 12 -3,-1.8 3,-1.8 2,-0.1 5,-0.5 0.505 72.4 129.3 -84.7 -4.2 2.9 8.7 57.2 9 9 A Y T < S+ 0 0 16 -3,-1.9 152,-0.1 1,-0.2 166,-0.1 -0.229 77.7 8.3 -51.1 130.7 6.3 10.3 58.0 10 10 A G T 3 S+ 0 0 10 150,-0.2 164,-2.2 164,-0.1 -1,-0.2 0.561 101.9 100.3 79.1 3.2 9.2 8.0 57.3 11 11 A K S < S- 0 0 105 -3,-1.8 3,-0.1 162,-0.2 -2,-0.1 0.664 77.9-138.8 -97.1 -16.2 7.1 5.4 55.5 12 12 A G > - 0 0 8 162,-0.5 3,-1.9 -4,-0.4 2,-0.3 0.788 33.3-176.2 59.4 31.7 7.9 6.5 51.9 13 13 A K T 3 - 0 0 129 -5,-0.5 -1,-0.2 1,-0.3 -2,-0.1 -0.425 65.4 -1.5 -65.7 118.1 4.2 5.9 51.1 14 14 A G T 3 S+ 0 0 84 -2,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.621 96.4 152.9 79.6 18.0 3.6 6.5 47.4 15 15 A R < - 0 0 33 -3,-1.9 2,-0.5 160,-0.1 -1,-0.2 -0.220 52.0-112.1 -79.0 167.3 7.2 7.4 46.6 16 16 A I B -a 177 0A 93 160,-0.6 162,-0.5 1,-0.0 -1,-0.1 -0.865 44.6-113.0 -91.1 125.6 9.1 7.1 43.3 17 17 A E - 0 0 116 -2,-0.5 3,-0.1 1,-0.1 159,-0.0 -0.344 33.4-114.3 -65.6 148.9 11.7 4.4 43.9 18 18 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 162,-0.2 -0.200 40.2 -77.5 -73.8 172.7 15.3 5.6 43.8 19 19 A M E -b 180 0A 72 160,-2.1 162,-2.6 159,-0.3 2,-0.6 -0.517 51.5-133.5 -66.6 120.8 18.0 4.7 41.3 20 20 A Y E -b 181 0A 143 -2,-0.3 162,-0.2 160,-0.2 -1,-0.1 -0.788 17.4-165.0 -91.8 118.1 19.2 1.2 42.3 21 21 A I - 0 0 16 160,-2.7 162,-0.3 -2,-0.6 4,-0.1 -0.915 21.6-132.2 -97.9 113.6 22.9 0.8 42.3 22 22 A P > - 0 0 66 0, 0.0 3,-0.8 0, 0.0 161,-0.2 -0.123 31.9 -85.0 -64.6 156.2 23.8 -3.0 42.4 23 23 A D T 3 S+ 0 0 90 1,-0.2 3,-0.1 159,-0.1 159,-0.0 -0.242 111.6 17.6 -56.4 149.9 26.3 -4.4 44.9 24 24 A N T 3 S+ 0 0 133 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.850 87.1 139.8 54.5 41.0 30.0 -4.3 43.8 25 25 A T < + 0 0 56 -3,-0.8 2,-0.3 -4,-0.1 -1,-0.2 -0.939 22.2 143.8-116.1 109.9 29.3 -1.6 41.2 26 26 A F - 0 0 61 -2,-0.6 2,-0.3 -3,-0.1 20,-0.2 -0.973 42.7-132.1-145.5 157.4 32.0 1.0 41.0 27 27 A Y E -H 45 0B 126 18,-2.8 18,-2.9 -2,-0.3 2,-0.5 -0.689 39.6-103.1-104.6 154.1 34.0 3.3 38.7 28 28 A N E > -H 44 0B 66 -2,-0.3 3,-2.3 16,-0.2 4,-0.2 -0.744 16.1-142.0 -80.9 131.1 37.8 3.5 38.9 29 29 A A G > S+ 0 0 3 14,-2.4 3,-2.1 -2,-0.5 -1,-0.1 0.814 97.0 72.1 -55.7 -31.8 39.2 6.6 40.6 30 30 A D G 3 S+ 0 0 112 13,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.759 89.3 61.3 -61.4 -13.2 42.1 6.7 38.0 31 31 A D G < S+ 0 0 130 -3,-2.3 -1,-0.3 2,-0.1 2,-0.3 0.476 101.2 64.0 -91.1 -6.4 39.6 7.8 35.4 32 32 A F S < S- 0 0 55 -3,-2.1 2,-0.8 -4,-0.2 0, 0.0 -0.743 94.2-100.7-112.7 162.1 38.7 11.0 37.3 33 33 A L - 0 0 99 -2,-0.3 -2,-0.1 0, 0.0 -3,-0.1 -0.759 45.8-175.6 -82.9 109.7 40.7 14.1 38.3 34 34 A V - 0 0 12 -2,-0.8 5,-0.1 -4,-0.1 167,-0.0 -0.968 21.3-126.5-113.4 126.9 41.5 13.4 41.9 35 35 A P >> - 0 0 9 0, 0.0 3,-1.9 0, 0.0 4,-1.6 -0.233 27.8-104.5 -75.4 155.1 43.3 16.1 43.9 36 36 A P T 34 S+ 0 0 35 0, 0.0 286,-0.1 0, 0.0 284,-0.1 0.832 116.0 58.3 -48.4 -35.6 46.6 15.3 45.8 37 37 A H T 34 S+ 0 0 7 284,-0.3 285,-0.1 1,-0.2 4,-0.1 0.707 117.6 32.9 -73.8 -19.1 45.0 15.2 49.3 38 38 A C T X> S+ 0 0 0 -3,-1.9 4,-1.4 2,-0.1 3,-1.3 0.624 94.7 92.5-106.3 -19.2 42.6 12.5 48.3 39 39 A K T 3< S+ 0 0 120 -4,-1.6 3,-0.3 1,-0.3 -2,-0.1 0.839 86.1 46.0 -51.6 -44.1 44.8 10.7 45.8 40 40 A P T 34 S+ 0 0 85 0, 0.0 -1,-0.3 0, 0.0 170,-0.1 0.754 119.8 41.8 -70.0 -20.7 46.4 8.1 48.1 41 41 A Y T <4 S+ 0 0 41 -3,-1.3 167,-0.7 169,-0.1 2,-0.6 0.634 94.5 78.7-107.2 -11.6 43.0 7.2 49.7 42 42 A I < + 0 0 12 -4,-1.4 3,-0.1 -3,-0.3 165,-0.1 -0.871 37.6 142.6-107.1 119.9 40.4 7.1 46.9 43 43 A D + 0 0 88 -2,-0.6 -14,-2.4 163,-0.4 2,-0.4 0.768 63.1 41.7-119.9 -42.4 40.2 3.9 44.8 44 44 A K E -H 28 0B 99 162,-0.4 162,-1.8 -16,-0.2 2,-0.6 -0.937 62.1-155.6-116.9 133.1 36.6 3.2 44.0 45 45 A I E -HI 27 205B 0 -18,-2.9 -18,-2.8 -2,-0.4 160,-0.3 -0.924 9.8-178.4-108.2 121.7 33.9 5.7 43.0 46 46 A L E S+ 0 0 5 158,-1.7 159,-0.2 -2,-0.6 -1,-0.2 0.939 77.7 16.0 -81.1 -47.3 30.4 4.7 43.7 47 47 A L E S- I 0 204B 0 157,-2.0 157,-2.8 -20,-0.0 -1,-0.3 -0.932 76.8-136.0-132.5 111.8 28.6 7.8 42.3 48 48 A P >> - 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-1.0 -0.265 27.4-118.0 -58.9 144.4 30.4 10.3 40.0 49 49 A G H 3> S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 154,-0.1 0.829 115.5 54.4 -54.3 -40.8 29.6 13.8 41.1 50 50 A G H 3> S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.781 105.5 53.1 -66.0 -35.1 28.0 14.5 37.7 51 51 A L H <> S+ 0 0 45 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.842 107.7 52.3 -67.1 -40.4 25.6 11.5 38.2 52 52 A V H X S+ 0 0 6 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.968 109.4 49.0 -56.1 -50.7 24.7 13.0 41.6 53 53 A K H X S+ 0 0 101 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.899 109.8 50.8 -58.5 -39.2 23.8 16.2 40.0 54 54 A D H X S+ 0 0 105 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.896 113.5 45.4 -67.0 -38.4 21.7 14.5 37.3 55 55 A R H X S+ 0 0 28 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.905 109.0 55.5 -71.4 -36.4 19.7 12.6 39.9 56 56 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.889 103.3 56.7 -65.5 -33.3 19.3 15.7 42.1 57 57 A E H X S+ 0 0 102 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.929 107.4 47.6 -61.6 -41.1 17.7 17.4 39.1 58 58 A K H X S+ 0 0 83 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.910 112.0 50.0 -65.9 -41.4 15.1 14.7 38.8 59 59 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.881 108.2 52.8 -63.6 -40.3 14.4 14.9 42.6 60 60 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.914 109.3 49.7 -61.9 -39.3 14.0 18.7 42.4 61 61 A Y H X S+ 0 0 104 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 110.1 50.3 -66.4 -42.9 11.5 18.2 39.6 62 62 A D H X S+ 0 0 15 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.859 113.4 46.3 -57.2 -43.7 9.6 15.6 41.8 63 63 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.941 110.1 53.1 -67.5 -39.6 9.6 18.1 44.7 64 64 A H H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.909 107.8 51.5 -58.0 -46.5 8.5 20.9 42.4 65 65 A R H < S+ 0 0 171 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.9 45.8 -62.0 -35.2 5.5 18.7 41.2 66 66 A T H < S+ 0 0 29 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 125.5 24.1 -74.1 -48.2 4.6 18.1 44.8 67 67 A Y H >< S+ 0 0 7 -4,-2.7 3,-2.8 -66,-0.1 -2,-0.2 0.416 79.1 136.5-102.4 -4.1 4.8 21.5 46.3 68 68 A F T 3< S+ 0 0 41 -4,-2.0 -66,-0.2 -5,-0.3 3,-0.1 -0.270 80.1 15.0 -51.1 135.0 4.3 23.9 43.4 69 69 A G T 3 S+ 0 0 33 1,-0.2 2,-0.3 36,-0.2 -1,-0.3 0.332 111.5 96.2 82.7 1.7 1.9 26.7 44.5 70 70 A E S < S- 0 0 101 -3,-2.8 -1,-0.2 37,-0.1 2,-0.2 -0.868 84.9-100.3-120.8 151.9 2.2 25.9 48.2 71 71 A E - 0 0 78 -2,-0.3 60,-0.5 -3,-0.1 2,-0.4 -0.517 43.8-166.6 -68.1 127.3 4.5 27.4 50.9 72 72 A L - 0 0 2 34,-0.3 37,-1.9 -2,-0.2 2,-0.6 -0.987 12.8-162.0-127.6 122.2 7.4 24.9 51.4 73 73 A H E -cd 109 132A 15 58,-2.7 60,-2.6 -2,-0.4 2,-0.5 -0.947 12.1-162.9-104.0 117.0 9.8 25.0 54.4 74 74 A I E -cd 110 133A 0 35,-2.8 37,-1.9 -2,-0.6 2,-0.6 -0.915 3.0-157.7-106.9 126.2 13.0 23.1 53.7 75 75 A I E -cd 111 134A 0 58,-2.8 60,-3.2 -2,-0.5 2,-0.5 -0.905 5.0-152.6-104.3 120.0 15.3 22.0 56.5 76 76 A C E -cd 112 135A 1 35,-3.2 37,-2.6 -2,-0.6 2,-0.8 -0.784 11.0-143.2 -85.6 128.2 19.0 21.3 55.8 77 77 A I E > -c 113 0A 4 58,-2.2 4,-2.2 -2,-0.5 60,-0.2 -0.796 40.1-107.9 -91.1 106.5 20.5 18.8 58.2 78 78 A L E 4 S+c 114 0A 9 35,-3.0 37,-1.5 -2,-0.8 2,-0.1 -0.525 76.4 3.6 -85.1 156.4 24.1 20.0 58.7 79 79 A K T >4 S+ 0 0 12 35,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.933 125.6 43.6 -88.8 -20.9 26.8 19.4 58.1 80 80 A G T 34 S+ 0 0 10 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.701 110.6 50.7 -55.9 -31.6 26.3 16.4 55.8 81 81 A S T 3X S+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-0.3 0.476 77.1 104.6 -92.2 7.8 23.5 17.5 53.6 82 82 A R H <> S+ 0 0 32 -3,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.867 83.8 43.8 -50.8 -47.4 25.1 20.9 52.7 83 83 A G H > S+ 0 0 15 -3,-0.4 4,-2.1 -4,-0.2 -1,-0.2 0.893 116.9 43.8 -68.9 -45.7 26.0 19.8 49.2 84 84 A F H > S+ 0 0 9 -4,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.913 115.3 49.8 -64.7 -47.5 22.7 18.0 48.4 85 85 A F H X S+ 0 0 0 -4,-3.5 4,-2.8 2,-0.2 5,-0.3 0.903 110.5 49.3 -56.8 -45.4 20.7 20.8 49.9 86 86 A N H X S+ 0 0 26 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.935 114.1 45.2 -65.5 -36.6 22.6 23.5 47.9 87 87 A L H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.876 113.9 50.9 -67.9 -44.7 22.1 21.6 44.6 88 88 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.935 109.8 46.9 -62.3 -44.8 18.5 21.0 45.4 89 89 A I H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.817 111.1 53.4 -69.5 -29.9 17.5 24.5 46.2 90 90 A D H X S+ 0 0 102 -4,-1.5 4,-2.6 -5,-0.3 -1,-0.2 0.953 112.4 43.6 -68.7 -46.9 19.3 25.8 43.0 91 91 A Y H X S+ 0 0 49 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.882 112.7 53.0 -65.8 -41.5 17.4 23.4 40.8 92 92 A L H X S+ 0 0 4 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.916 110.8 45.9 -61.2 -40.3 14.1 24.2 42.6 93 93 A A H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.937 116.2 46.1 -64.6 -49.8 14.5 27.9 42.1 94 94 A T H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.842 111.2 51.1 -58.9 -45.3 15.5 27.4 38.4 95 95 A I H X S+ 0 0 31 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.943 114.7 43.3 -60.2 -49.2 12.6 24.9 37.7 96 96 A Q H >< S+ 0 0 12 -4,-2.4 3,-0.6 -5,-0.2 4,-0.5 0.914 111.7 54.8 -61.8 -44.4 10.1 27.3 39.1 97 97 A K H 3< S+ 0 0 35 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.879 118.5 33.5 -57.2 -41.7 11.7 30.2 37.4 98 98 A Y H 3< S+ 0 0 158 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.407 92.6 95.4 -93.7 -4.1 11.4 28.5 33.9 99 99 A S S << S- 0 0 36 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.1 0.787 81.6-136.8 -60.7 -31.0 8.2 26.6 34.5 100 100 A G + 0 0 74 -4,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.599 65.9 123.6 79.0 12.4 6.0 29.3 32.9 101 101 A R - 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