==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-NOV-04 1Y0B . COMPND 2 MOLECULE: XANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR M.E.CUFF,R.WU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL GEN . 768 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 4 0.5 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 . 70 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.3 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 0 0 4 7 1 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 0 4 0 4 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 10 2 0 0 0 2 2 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 . 4 4 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 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 N > 0 0 109 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-176.4 -8.3 41.2 17.4 2 0 A A H > + 0 0 6 37,-0.2 4,-2.5 1,-0.2 5,-0.2 0.870 360.0 52.2 -61.9 -41.0 -7.0 41.9 20.9 3 1 A X H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 112.3 44.6 -64.2 -45.1 -5.4 38.5 21.4 4 2 A E H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.927 113.7 50.1 -67.2 -42.6 -3.5 38.6 18.1 5 3 A A H X S+ 0 0 21 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.904 113.7 46.5 -59.9 -42.4 -2.4 42.2 18.7 6 4 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.921 111.6 50.7 -64.9 -46.4 -1.2 41.3 22.2 7 5 A K H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.888 111.2 47.7 -61.4 -41.7 0.6 38.1 20.9 8 6 A R H X S+ 0 0 77 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.897 111.5 51.0 -64.7 -41.6 2.4 40.1 18.2 9 7 A K H X>S+ 0 0 45 -4,-2.0 4,-2.6 -5,-0.2 5,-0.7 0.910 111.3 48.1 -61.5 -45.8 3.4 42.8 20.8 10 8 A I H X5S+ 0 0 1 -4,-2.6 4,-1.7 3,-0.2 -2,-0.2 0.941 115.4 45.0 -58.6 -48.5 4.7 40.1 23.1 11 9 A E H <5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.859 121.3 37.8 -64.1 -37.4 6.7 38.4 20.2 12 10 A E H <5S+ 0 0 148 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.766 134.8 16.1 -89.0 -28.5 8.1 41.7 18.9 13 11 A E H <5S+ 0 0 77 -4,-2.6 -3,-0.2 -5,-0.2 13,-0.2 0.537 96.3 102.9-125.4 -16.4 8.8 43.7 22.1 14 12 A G << - 0 0 19 -4,-1.7 2,-0.4 -5,-0.7 10,-0.2 -0.455 53.9-153.8 -71.7 145.8 8.8 41.1 25.0 15 13 A V E -A 23 0A 80 8,-2.3 8,-3.3 -2,-0.1 2,-0.6 -0.990 9.5-137.8-123.6 128.6 12.1 40.0 26.4 16 14 A V E -A 22 0A 26 -2,-0.4 2,-0.4 170,-0.3 3,-0.2 -0.765 19.6-159.5 -88.2 118.3 12.5 36.6 28.1 17 15 A L E >> S-A 21 0A 60 4,-3.5 3,-2.6 -2,-0.6 4,-2.5 -0.831 70.4 -13.1 -98.8 135.5 14.6 36.8 31.2 18 16 A S T 34 S- 0 0 83 -2,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.727 115.5 -75.5 49.6 27.9 16.4 33.7 32.7 19 17 A D T 34 S+ 0 0 82 -3,-0.2 164,-0.3 2,-0.2 -1,-0.3 0.620 131.4 53.6 61.4 18.0 14.2 31.6 30.3 20 18 A Q T <4 S+ 0 0 117 -3,-2.6 2,-0.5 1,-0.3 -2,-0.2 0.532 82.7 75.0-154.7 -19.7 11.1 32.1 32.6 21 19 A V E < -A 17 0A 31 -4,-2.5 -4,-3.5 162,-0.1 2,-0.7 -0.934 65.0-147.0-102.7 127.2 10.3 35.8 33.4 22 20 A L E -A 16 0A 6 -2,-0.5 2,-0.6 -6,-0.2 -6,-0.2 -0.865 9.4-154.3 -95.0 116.0 8.6 37.6 30.5 23 21 A K E +A 15 0A 32 -8,-3.3 -8,-2.3 -2,-0.7 3,-0.1 -0.829 27.0 159.8 -92.6 118.6 9.5 41.3 30.5 24 22 A V >>> + 0 0 0 -2,-0.6 4,-2.3 -10,-0.2 5,-1.5 -0.311 20.6 136.6-130.8 47.4 6.9 43.5 28.9 25 23 A D T 345 + 0 0 5 1,-0.2 6,-2.9 3,-0.2 5,-0.3 0.595 62.6 70.4 -71.1 -12.8 7.8 46.9 30.3 26 24 A S T 345S+ 0 0 26 -13,-0.2 -1,-0.2 4,-0.2 6,-0.1 0.678 122.0 3.6 -80.1 -17.3 7.4 48.6 26.9 27 25 A F T <45S+ 0 0 0 -3,-1.1 6,-2.1 5,-0.1 -2,-0.2 0.551 136.6 22.6-141.2 -15.0 3.6 48.2 26.9 28 26 A L T <5S+ 0 0 3 -4,-2.3 -3,-0.2 4,-0.2 37,-0.2 0.738 116.1 36.5-123.7 -45.5 2.2 46.6 30.1 29 27 A N S - 0 0 38 -6,-2.1 4,-2.5 -2,-0.4 5,-0.2 -0.852 16.5-166.7 -93.8 99.9 0.2 51.2 25.4 34 32 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.850 83.1 51.6 -62.1 -37.7 -3.3 52.8 25.9 35 33 A L H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 111.7 46.7 -65.5 -44.8 -4.7 51.8 22.6 36 34 A L H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.912 111.1 53.4 -60.2 -43.1 -3.7 48.1 23.2 37 35 A X H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.880 107.7 50.5 -58.2 -39.9 -5.2 48.4 26.7 38 36 A Q H X S+ 0 0 55 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.917 110.6 48.6 -65.9 -43.4 -8.5 49.7 25.3 39 37 A R H X S+ 0 0 107 -4,-2.2 4,-1.7 2,-0.2 -37,-0.2 0.905 112.9 48.9 -60.1 -43.9 -8.6 46.7 22.8 40 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.931 111.4 49.3 -58.6 -48.5 -7.8 44.4 25.8 41 39 A G H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.896 109.5 51.9 -60.2 -42.4 -10.6 46.0 27.8 42 40 A D H X S+ 0 0 55 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.830 108.8 50.8 -63.2 -36.0 -13.1 45.7 25.0 43 41 A E H X S+ 0 0 40 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.935 111.3 46.8 -68.4 -47.1 -12.2 41.9 24.6 44 42 A F H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.920 112.8 50.9 -57.2 -45.7 -12.8 41.3 28.4 45 43 A A H < S+ 0 0 4 -4,-2.6 4,-0.3 1,-0.2 3,-0.2 0.895 108.2 52.4 -58.8 -41.9 -16.0 43.3 28.2 46 44 A S H >< S+ 0 0 82 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.895 108.3 50.6 -62.1 -41.0 -17.1 41.2 25.2 47 45 A R H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.780 121.5 33.1 -69.7 -26.8 -16.5 37.9 27.1 48 46 A F T ><>S+ 0 0 1 -4,-1.4 3,-1.5 -3,-0.2 5,-0.5 0.125 82.3 113.9-115.1 18.5 -18.5 39.1 30.1 49 47 A A T < 5S+ 0 0 62 -3,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.711 83.8 41.2 -63.6 -22.9 -21.1 41.2 28.3 50 48 A K T 3 5S+ 0 0 199 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 -0.087 92.9 86.1-116.9 31.2 -24.0 38.9 29.3 51 49 A D T < 5S- 0 0 52 -3,-1.5 -1,-0.1 70,-0.0 -2,-0.1 0.417 94.0-119.3-111.8 -1.1 -22.9 38.2 32.9 52 50 A G T 5 - 0 0 56 -3,-0.2 2,-0.2 -4,-0.2 69,-0.1 0.904 40.9-170.8 61.0 43.2 -24.6 41.1 34.6 53 51 A I < + 0 0 20 -5,-0.5 69,-0.2 1,-0.1 -1,-0.2 -0.464 18.0 175.9 -64.2 133.6 -21.3 42.5 35.9 54 52 A T + 0 0 52 67,-2.3 2,-0.3 1,-0.3 68,-0.2 0.572 63.4 10.9-109.6 -18.8 -21.7 45.3 38.4 55 53 A K E -h 122 0C 21 66,-1.1 68,-2.5 21,-0.2 2,-0.4 -0.995 57.9-136.4-162.3 148.2 -18.1 45.9 39.3 56 54 A I E -hi 123 78C 0 21,-2.5 23,-3.0 -2,-0.3 2,-0.4 -0.944 16.2-162.6-112.3 137.0 -14.4 45.2 38.5 57 55 A V E +hi 124 79C 0 66,-2.0 68,-2.3 -2,-0.4 2,-0.2 -0.971 22.1 150.4-116.6 133.7 -11.8 44.3 41.2 58 56 A T E - i 0 80C 0 21,-2.7 23,-2.7 -2,-0.4 2,-0.3 -0.711 36.0-115.7-138.5-167.9 -8.1 44.5 40.5 59 57 A I E > - i 0 81C 10 66,-0.3 4,-1.0 21,-0.3 5,-0.3 -0.998 44.6 -69.8-139.3 139.3 -4.8 45.2 42.3 60 58 A E T 4 S+ 0 0 12 21,-2.2 2,-0.1 -2,-0.3 21,-0.0 -0.327 89.3 6.2 -59.7 149.2 -2.3 48.1 41.9 61 59 A S T >4 S+ 0 0 9 195,-0.1 3,-1.1 21,-0.0 4,-0.5 -0.866 122.9 21.6-110.6 -36.5 -0.4 48.8 39.8 62 60 A S T 34 S+ 0 0 15 1,-0.3 3,-0.2 2,-0.2 -2,-0.1 0.730 117.4 61.3 -68.9 -24.5 -0.2 46.9 36.5 63 61 A G T 3X S+ 0 0 1 -4,-1.0 4,-2.0 1,-0.2 -1,-0.3 0.732 87.7 76.8 -70.5 -21.9 -3.8 45.6 36.8 64 62 A I H <> S+ 0 0 0 -3,-1.1 4,-3.0 -5,-0.3 5,-0.2 0.918 90.0 49.6 -59.4 -51.9 -5.3 49.2 36.8 65 63 A A H > S+ 0 0 2 -4,-0.5 4,-2.0 1,-0.2 5,-0.2 0.942 115.6 40.0 -59.1 -53.5 -5.0 50.1 33.1 66 64 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.874 117.1 52.9 -64.3 -32.0 -6.6 46.9 31.6 67 65 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 109.0 47.3 -65.4 -44.6 -9.2 47.0 34.5 68 66 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.875 111.2 51.5 -68.3 -34.9 -10.2 50.6 33.8 69 67 A X H X S+ 0 0 2 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.883 111.5 47.9 -68.6 -35.6 -10.5 49.9 30.1 70 68 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.924 112.1 49.3 -66.7 -46.3 -12.7 46.9 30.8 71 69 A G H X>S+ 0 0 1 -4,-2.7 5,-2.2 2,-0.2 4,-1.6 0.834 107.6 55.2 -61.5 -36.7 -14.8 49.0 33.3 72 70 A L H <5S+ 0 0 31 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.948 112.7 41.6 -59.6 -50.2 -15.2 51.7 30.7 73 71 A K H <5S+ 0 0 133 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 118.9 43.6 -68.4 -41.3 -16.6 49.3 28.1 74 72 A L H <5S- 0 0 43 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.698 107.7-124.7 -76.7 -19.3 -18.9 47.4 30.6 75 73 A G T <5 + 0 0 67 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.875 67.4 124.6 75.6 41.0 -20.0 50.7 32.2 76 74 A V < - 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