==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JAN-01 1I14 . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR B.CANYUK,P.J.FOCIA,A.E.EAKIN . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 11.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 1 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 0 1 1 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 . 6 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 5 A Y > 0 0 113 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 49.3 20.3 67.1 35.8 2 6 A E T 3 + 0 0 90 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.715 360.0 60.0 -56.4 -25.8 20.3 70.9 35.4 3 7 A F T 3 S+ 0 0 43 182,-0.0 179,-2.8 181,-0.0 2,-0.4 0.417 94.3 83.0 -81.3 -2.6 24.1 70.9 34.5 4 8 A A E < -A 181 0A 14 -3,-2.3 177,-0.2 177,-0.2 3,-0.1 -0.851 55.9-167.0-108.5 139.9 23.3 68.7 31.5 5 9 A E E S+ 0 0 109 175,-2.3 2,-0.3 -2,-0.4 176,-0.1 0.651 77.1 4.3 -95.7 -14.4 22.2 69.9 28.1 6 10 A K E -A 180 0A 118 174,-0.8 174,-3.0 -5,-0.1 2,-0.5 -0.972 64.7-120.8-168.6 149.5 21.2 66.4 26.9 7 11 A I E +A 179 0A 74 -2,-0.3 172,-0.2 172,-0.2 3,-0.1 -0.821 24.1 178.1 -93.7 126.4 21.0 62.8 27.8 8 12 A L E - 0 0 34 170,-2.4 2,-0.4 -2,-0.5 171,-0.2 0.900 68.5 -1.4 -91.7 -57.6 23.1 60.5 25.7 9 13 A F E -A 178 0A 25 169,-1.9 169,-2.6 4,-0.0 -1,-0.4 -1.000 64.5-139.9-139.4 139.0 22.4 57.1 27.3 10 14 A T > - 0 0 44 -2,-0.4 4,-2.4 167,-0.2 5,-0.2 -0.510 37.3-102.8 -88.4 164.3 20.3 56.0 30.2 11 15 A E H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.870 124.0 54.0 -53.6 -37.4 21.5 53.3 32.7 12 16 A E H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.918 107.8 46.5 -65.8 -44.6 19.2 50.9 30.9 13 17 A E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.873 114.5 48.8 -64.8 -39.1 20.6 51.5 27.4 14 18 A I H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 107.9 54.0 -64.9 -49.0 24.2 51.2 28.8 15 19 A R H X S+ 0 0 132 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.903 110.7 47.1 -53.2 -46.9 23.4 48.0 30.6 16 20 A T H X S+ 0 0 80 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.935 111.4 48.6 -63.9 -48.1 22.0 46.4 27.3 17 21 A R H X S+ 0 0 77 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.914 109.7 52.4 -60.1 -44.6 24.9 47.5 25.1 18 22 A I H X S+ 0 0 3 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.918 107.3 53.3 -58.1 -41.1 27.5 46.1 27.6 19 23 A K H X S+ 0 0 88 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.855 110.2 47.6 -60.7 -39.0 25.6 42.8 27.6 20 24 A E H X S+ 0 0 120 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.921 112.8 47.5 -67.9 -46.8 25.9 42.7 23.8 21 25 A V H X S+ 0 0 16 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.920 112.3 51.0 -61.0 -43.2 29.6 43.6 23.8 22 26 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 -1,-0.2 0.865 109.1 49.4 -63.4 -39.0 30.1 41.0 26.5 23 27 A K H X S+ 0 0 27 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.910 113.4 48.9 -65.5 -40.4 28.3 38.3 24.5 24 28 A R H X S+ 0 0 39 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.949 112.0 46.0 -62.5 -53.2 30.5 39.3 21.5 25 29 A I H X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.933 112.3 53.6 -56.3 -45.7 33.8 39.2 23.5 26 30 A A H >X S+ 0 0 13 -4,-2.7 4,-0.6 1,-0.2 3,-0.6 0.916 109.8 45.7 -56.4 -49.5 32.7 35.8 25.0 27 31 A D H >< S+ 0 0 115 -4,-2.4 3,-1.5 1,-0.2 4,-0.2 0.949 109.1 57.4 -60.9 -45.2 32.1 34.3 21.5 28 32 A D H 3< S+ 0 0 79 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.705 113.3 37.9 -57.0 -30.8 35.4 35.7 20.3 29 33 A Y H X< S+ 0 0 7 -4,-1.4 3,-2.8 -3,-0.6 5,-0.5 0.391 82.2 112.3-102.4 3.9 37.4 33.9 23.0 30 34 A K T << S+ 0 0 85 -3,-1.5 3,-0.2 -4,-0.6 -1,-0.1 0.664 83.7 41.4 -50.9 -20.6 35.3 30.8 22.9 31 35 A G T 3 S+ 0 0 75 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.152 90.6 86.2-116.5 21.5 38.2 28.9 21.4 32 36 A K S < S- 0 0 94 -3,-2.8 -2,-0.1 7,-0.0 -1,-0.1 0.396 93.9-120.9 -99.1 0.3 41.1 30.2 23.5 33 37 A G - 0 0 58 -4,-0.3 -3,-0.1 -3,-0.2 2,-0.1 0.808 36.9-169.0 64.5 36.1 40.7 27.8 26.4 34 38 A L + 0 0 37 -5,-0.5 -1,-0.2 4,-0.0 34,-0.1 -0.347 13.0 167.1 -61.4 129.3 40.1 30.4 29.1 35 39 A R B > -C 39 0B 33 4,-1.4 4,-1.8 32,-0.1 31,-0.0 -0.991 38.7-101.2-142.8 142.8 40.2 28.8 32.6 36 40 A P T 4 S+ 0 0 53 0, 0.0 2,-2.5 0, 0.0 3,-0.3 -0.252 99.9 9.1 -64.9 157.5 40.4 30.5 36.0 37 41 A Y T 4 S+ 0 0 58 1,-0.2 32,-0.0 321,-0.1 320,-0.0 -0.330 136.7 38.8 74.2 -58.9 43.8 30.6 37.7 38 42 A V T 4 S+ 0 0 110 -2,-2.5 -1,-0.2 1,-0.1 -4,-0.0 0.846 131.7 12.2 -91.7 -37.7 45.8 29.4 34.8 39 43 A N B < S+C 35 0B 32 -4,-1.8 -4,-1.4 -3,-0.3 2,-0.2 -0.343 78.2 154.2-141.3 57.5 44.3 31.0 31.7 40 44 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 62,-0.5 -0.497 53.0-102.8 -84.1 158.0 41.8 33.8 32.6 41 45 A L E -d 68 0C 0 26,-2.9 28,-2.2 -2,-0.2 2,-0.6 -0.681 41.2-138.7 -77.3 118.5 40.9 36.8 30.4 42 46 A V E -de 69 103C 1 60,-3.0 62,-3.0 -2,-0.6 2,-0.6 -0.728 14.5-161.7 -85.5 119.7 42.9 39.6 31.9 43 47 A L E -de 70 104C 0 26,-2.8 28,-2.5 -2,-0.6 2,-0.9 -0.902 1.6-161.7-101.1 118.1 41.0 42.9 32.2 44 48 A I E -de 71 105C 0 60,-2.5 62,-3.2 -2,-0.6 2,-0.6 -0.870 11.6-158.9-101.7 98.6 43.4 45.8 32.6 45 49 A S E -de 72 106C 0 26,-2.9 28,-2.6 -2,-0.9 2,-0.8 -0.708 7.8-143.1 -80.6 118.8 41.1 48.5 34.0 46 50 A V E > -d 73 0C 3 60,-2.4 4,-1.3 -2,-0.6 62,-0.2 -0.757 38.3 -98.8 -89.0 111.9 42.6 52.0 33.4 47 51 A L T 4 S+ 0 0 20 26,-2.5 28,-0.4 -2,-0.8 2,-0.2 -0.276 79.4 9.5 -68.0 155.5 41.7 54.2 36.4 48 52 A K T >4 S+ 0 0 42 26,-0.1 3,-2.1 117,-0.1 4,-0.2 -0.868 121.4 36.2 -98.4 -31.1 39.9 56.2 37.3 49 53 A G T >4 S+ 0 0 4 1,-0.3 3,-0.8 -2,-0.2 4,-0.5 0.745 110.5 56.9 -49.6 -40.0 37.0 56.5 34.7 50 54 A S T 3X S+ 0 0 0 -4,-1.3 4,-3.1 1,-0.2 -1,-0.3 0.510 77.5 98.2 -75.5 -0.8 36.7 52.9 33.7 51 55 A F H <> S+ 0 0 0 -3,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.901 88.7 40.2 -55.6 -39.3 36.0 51.8 37.3 52 56 A M H <> S+ 0 0 0 -3,-0.8 4,-1.8 -4,-0.2 -1,-0.2 0.944 115.5 48.7 -75.9 -46.9 32.2 51.8 36.7 53 57 A F H > S+ 0 0 1 -4,-0.5 4,-2.9 111,-0.3 -2,-0.2 0.903 111.6 52.2 -57.0 -43.5 32.3 50.3 33.2 54 58 A T H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.873 105.5 54.2 -61.2 -43.7 34.6 47.6 34.5 55 59 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 -5,-0.3 -1,-0.2 0.899 116.0 38.2 -59.0 -43.2 32.3 46.6 37.4 56 60 A D H X S+ 0 0 33 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.918 115.7 52.9 -77.4 -38.4 29.4 46.1 35.1 57 61 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.909 105.5 51.6 -63.1 -47.2 31.4 44.5 32.2 58 62 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 110.4 50.9 -62.3 -31.1 33.1 41.8 34.3 59 63 A R H X S+ 0 0 8 -4,-0.8 4,-1.7 -5,-0.3 -1,-0.2 0.870 110.0 49.0 -71.8 -35.7 29.7 40.8 35.7 60 64 A A H X S+ 0 0 3 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.874 111.2 49.5 -71.1 -36.7 28.3 40.6 32.1 61 65 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.7 0.882 106.8 56.3 -67.3 -36.0 31.3 38.5 31.1 62 66 A C H ><5S+ 0 0 19 -4,-1.9 3,-2.4 1,-0.3 -2,-0.2 0.915 99.4 60.5 -60.2 -41.2 30.6 36.3 34.1 63 67 A D H 3<5S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.806 107.3 44.7 -55.0 -32.6 27.1 35.8 32.7 64 68 A F T <<5S- 0 0 70 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.170 120.1-112.3-100.0 17.7 28.7 34.2 29.7 65 69 A N T < 5 + 0 0 143 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.743 62.7 152.7 59.0 30.5 31.0 32.2 31.8 66 70 A V < - 0 0 12 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.829 41.1-138.1 -89.8 115.4 34.2 33.9 30.8 67 71 A P - 0 0 21 0, 0.0 -26,-2.9 0, 0.0 2,-0.2 -0.632 28.9-170.0 -75.9 125.1 36.6 33.6 33.7 68 72 A V E -d 41 0C 5 -2,-0.4 2,-0.4 -28,-0.2 292,-0.3 -0.706 24.5-147.9-117.5 164.4 38.5 37.0 34.2 69 73 A R E -d 42 0C 25 -28,-2.2 -26,-2.8 -2,-0.2 2,-0.4 -0.990 24.4-140.3-129.0 121.3 41.4 38.4 36.2 70 74 A M E +d 43 0C 1 -2,-0.4 2,-0.4 288,-0.3 -26,-0.2 -0.723 23.9 173.0 -91.8 130.6 41.0 42.0 37.3 71 75 A E E -d 44 0C 3 -28,-2.5 -26,-2.9 -2,-0.4 2,-0.4 -0.943 12.9-159.9-130.1 145.5 43.9 44.4 37.2 72 76 A F E -d 45 0C 4 -2,-0.4 2,-0.4 21,-0.2 -26,-0.2 -0.996 8.0-166.5-128.3 134.1 43.7 48.1 37.8 73 77 A I E -d 46 0C 0 -28,-2.6 -26,-2.5 -2,-0.4 2,-0.5 -0.950 8.6-156.1-125.6 147.5 46.4 50.5 36.7 74 78 A C E -H 92 0D 25 18,-1.8 17,-3.0 -2,-0.4 18,-1.8 -0.985 15.9-178.2-123.0 124.7 47.0 54.2 37.6 75 79 A V E -H 90 0D 34 -2,-0.5 2,-0.3 -28,-0.4 15,-0.2 -0.791 5.9-162.3-118.0 163.5 48.9 56.4 35.2 76 80 A S E -H 89 0D 29 13,-1.9 13,-3.1 -2,-0.3 2,-0.2 -0.985 25.9-105.2-145.2 151.7 49.9 60.0 35.4 77 81 A S - 0 0 76 -2,-0.3 11,-0.1 11,-0.2 3,-0.1 -0.546 20.4-141.3 -76.2 144.7 51.0 62.8 33.1 78 82 A Y - 0 0 106 9,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.786 68.2 -65.9 -72.9 -30.5 54.8 63.6 33.2 79 83 A G S > S- 0 0 17 4,-0.0 3,-0.8 -3,-0.0 2,-0.5 -0.880 73.3 -47.1 160.7-179.3 54.0 67.3 32.8 80 84 A E T 3 S- 0 0 173 -2,-0.3 -3,-0.0 1,-0.2 0, 0.0 -0.642 118.1 -8.3 -84.4 120.4 52.5 69.6 30.3 81 85 A G T 3 S+ 0 0 80 -2,-0.5 -1,-0.2 2,-0.2 3,-0.1 0.743 92.6 122.4 69.3 28.4 53.8 69.2 26.8 82 86 A L S < S+ 0 0 125 -3,-0.8 2,-0.3 1,-0.1 -2,-0.1 0.621 70.9 37.2 -94.2 -13.2 56.6 66.8 27.6 83 87 A T + 0 0 44 -4,-0.2 -2,-0.2 1,-0.2 -1,-0.1 -0.979 38.6 177.6-141.4 149.4 55.5 64.0 25.3 84 88 A S S S+ 0 0 100 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.709 86.8 69.2-104.0 -52.9 53.9 63.7 21.9 85 89 A S S S- 0 0 62 1,-0.2 -2,-0.0 32,-0.0 60,-0.0 0.363 111.8-112.8 -44.7 -7.9 54.1 59.9 22.1 86 90 A G + 0 0 5 -2,-0.3 -1,-0.2 1,-0.2 32,-0.1 0.661 54.7 173.4 77.0 14.5 51.4 59.8 24.8 87 91 A Q - 0 0 88 31,-0.1 -9,-0.5 1,-0.0 2,-0.3 -0.263 6.8-174.3 -58.1 136.9 54.0 58.6 27.3 88 92 A V - 0 0 10 -11,-0.1 2,-0.4 27,-0.1 -11,-0.2 -0.943 27.6-109.6-135.5 155.3 52.6 58.3 30.9 89 93 A R E -H 76 0D 113 -13,-3.1 -13,-1.9 -2,-0.3 2,-0.8 -0.729 30.5-131.9 -85.3 132.1 54.1 57.6 34.3 90 94 A M E +H 75 0D 51 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.2 -0.778 33.2 166.3 -88.5 106.8 53.0 54.2 35.8 91 95 A L E S+ 0 0 84 -17,-3.0 2,-0.3 -2,-0.8 -16,-0.2 0.764 77.6 14.8 -88.3 -30.7 51.8 54.7 39.4 92 96 A L E S-H 74 0D 21 -18,-1.8 -18,-1.8 188,-0.1 -1,-0.4 -0.948 74.1-179.1-146.6 123.8 50.2 51.2 39.6 93 97 A D - 0 0 45 -2,-0.3 -21,-0.2 -20,-0.2 -18,-0.0 -0.521 44.9 -57.2-113.3 179.7 50.8 48.4 37.1 94 98 A T - 0 0 22 -2,-0.2 -1,-0.2 1,-0.1 -23,-0.1 -0.245 38.4-139.6 -58.9 147.2 49.3 44.9 36.9 95 99 A R S S+ 0 0 69 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.818 87.4 37.7 -77.3 -36.6 49.9 42.6 39.9 96 100 A H S S- 0 0 40 1,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.739 96.8 -96.6-111.4 165.4 50.7 39.6 37.7 97 101 A S - 0 0 80 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.560 19.8-154.8 -80.8 146.6 52.6 39.3 34.5 98 102 A I > + 0 0 3 -2,-0.2 3,-2.9 -4,-0.1 31,-0.5 0.510 50.7 130.1 -95.6 -7.9 50.5 39.3 31.3 99 103 A E T 3 S+ 0 0 138 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.247 83.0 6.4 -51.4 119.6 53.2 37.4 29.3 100 104 A G T 3 S+ 0 0 47 27,-2.4 -1,-0.3 1,-0.3 2,-0.2 0.474 109.6 111.9 84.2 5.1 51.4 34.5 27.6 101 105 A H S < S- 0 0 30 -3,-2.9 29,-1.6 29,-0.1 28,-0.8 -0.671 74.2-108.9-111.2 163.6 47.9 35.6 28.6 102 106 A H E - 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