==== 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 1I13 . COMPND 2 MOLECULE: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR B.CANYUK,P.J.FOCIA,A.E.EAKIN . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 70.0 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 . 44 11.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 32 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 23.2 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 1 0 1 1 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 . 7 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 0 111 0, 0.0 3,-1.5 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 70.9 20.4 68.7 35.6 2 6 A E T 3 + 0 0 85 1,-0.3 180,-0.0 3,-0.0 0, 0.0 0.777 360.0 55.9 -65.9 -27.6 20.6 72.5 35.4 3 7 A F T 3 S+ 0 0 46 178,-0.0 179,-2.5 182,-0.0 2,-0.4 0.442 97.0 81.6 -81.5 -6.6 24.3 72.3 34.5 4 8 A A E < -A 181 0A 6 -3,-1.5 177,-0.2 177,-0.2 3,-0.1 -0.834 56.6-165.3-105.0 143.0 23.6 70.0 31.5 5 9 A E E S+ 0 0 98 175,-2.6 2,-0.3 -2,-0.4 176,-0.1 0.680 77.0 4.0 -97.2 -13.8 22.5 71.2 28.1 6 10 A K E -A 180 0A 128 174,-0.9 174,-2.7 -5,-0.0 2,-0.5 -0.985 64.8-121.1-167.0 151.0 21.5 67.7 26.9 7 11 A I E +A 179 0A 77 -2,-0.3 172,-0.2 172,-0.2 3,-0.1 -0.845 25.0 178.4 -96.5 127.8 21.1 64.1 28.0 8 12 A L E - 0 0 29 170,-2.6 2,-0.4 -2,-0.5 171,-0.2 0.877 67.9 -1.9 -94.8 -56.2 23.2 61.7 25.9 9 13 A F E -A 178 0A 26 169,-1.8 169,-2.4 4,-0.0 -1,-0.4 -1.000 64.6-138.9-140.0 140.7 22.4 58.3 27.5 10 14 A T > - 0 0 43 -2,-0.4 4,-2.3 167,-0.2 3,-0.3 -0.526 38.2-101.5 -87.6 163.6 20.3 57.4 30.5 11 15 A E H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.868 123.3 52.0 -54.0 -39.3 21.6 54.8 33.0 12 16 A E H > S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.890 108.1 49.1 -69.6 -34.8 19.3 52.2 31.4 13 17 A E H > S+ 0 0 92 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.928 114.1 47.1 -66.3 -43.3 20.6 52.8 27.9 14 18 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.920 109.4 53.7 -62.1 -48.1 24.2 52.6 29.1 15 19 A R H X S+ 0 0 121 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.907 110.9 46.9 -52.3 -48.5 23.5 49.4 31.0 16 20 A T H X S+ 0 0 78 -4,-2.0 4,-1.8 1,-0.2 3,-0.2 0.949 111.8 48.1 -61.6 -52.5 22.0 47.8 27.9 17 21 A R H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.854 108.5 55.0 -58.9 -39.8 24.9 48.8 25.5 18 22 A I H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.902 106.4 52.2 -61.3 -40.4 27.5 47.6 28.0 19 23 A K H X S+ 0 0 39 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.898 108.3 50.2 -62.9 -39.2 25.8 44.2 28.0 20 24 A E H X S+ 0 0 116 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.926 112.8 46.8 -64.1 -43.3 25.9 44.0 24.2 21 25 A V H X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.917 111.6 51.2 -65.3 -42.5 29.6 44.9 24.2 22 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.863 107.2 53.0 -63.1 -38.7 30.3 42.3 27.0 23 27 A K H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.932 112.2 46.7 -62.7 -40.6 28.5 39.6 25.0 24 28 A R H X S+ 0 0 108 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.937 110.7 49.4 -67.2 -48.3 30.8 40.5 22.0 25 29 A I H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.948 111.2 52.4 -55.7 -45.2 34.0 40.5 24.0 26 30 A A H X S+ 0 0 14 -4,-2.6 4,-0.8 1,-0.2 3,-0.4 0.893 111.3 45.4 -58.1 -44.3 32.9 37.1 25.4 27 31 A D H >< S+ 0 0 116 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.940 111.5 52.6 -65.7 -43.7 32.4 35.7 21.9 28 32 A D H 3< S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.630 115.9 41.0 -65.8 -18.9 35.7 37.1 20.7 29 33 A Y H >< S+ 0 0 5 -4,-1.1 3,-2.9 -3,-0.4 5,-0.5 0.479 82.3 102.5-107.2 -2.7 37.5 35.5 23.6 30 34 A K T << S+ 0 0 81 -3,-0.9 3,-0.4 -4,-0.8 -2,-0.1 0.711 86.2 47.4 -52.7 -23.1 35.6 32.2 23.5 31 35 A G T 3 S+ 0 0 75 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.104 89.5 84.1-107.7 21.5 38.6 30.7 21.8 32 36 A K S < S- 0 0 66 -3,-2.9 -1,-0.2 2,-0.0 -2,-0.2 0.464 91.5-129.0 -99.7 -3.2 41.2 32.0 24.2 33 37 A G - 0 0 60 -3,-0.4 -3,-0.1 -4,-0.3 -2,-0.1 0.809 37.6-172.7 58.4 33.3 40.9 29.3 26.8 34 38 A L + 0 0 32 -5,-0.5 -1,-0.2 4,-0.1 34,-0.1 -0.327 10.7 166.2 -61.8 133.1 40.4 31.8 29.6 35 39 A R B > -C 39 0B 34 4,-1.4 4,-1.4 32,-0.1 31,-0.0 -0.985 38.8 -93.8-146.9 149.8 40.3 30.4 33.1 36 40 A P T 4 S+ 0 0 53 0, 0.0 2,-2.8 0, 0.0 3,-0.3 -0.264 100.8 6.5 -64.0 159.6 40.6 31.9 36.5 37 41 A Y T 4 S+ 0 0 38 1,-0.2 320,-0.0 320,-0.2 32,-0.0 -0.345 136.8 39.9 68.0 -60.0 44.0 32.1 38.3 38 42 A V T 4 S+ 0 0 112 -2,-2.8 -1,-0.2 1,-0.1 -4,-0.1 0.903 131.2 11.2 -87.4 -40.9 46.0 30.9 35.4 39 43 A N B < S+C 35 0B 30 -4,-1.4 -4,-1.4 -3,-0.3 -1,-0.1 -0.354 77.0 153.6-139.0 59.9 44.4 32.5 32.3 40 44 A P - 0 0 3 0, 0.0 2,-0.7 0, 0.0 62,-0.5 -0.401 53.7-103.0 -84.5 163.1 42.0 35.3 33.1 41 45 A L E -d 68 0C 0 26,-2.8 28,-2.1 -2,-0.1 2,-0.6 -0.780 41.1-139.6 -82.2 118.0 41.1 38.3 30.9 42 46 A V E -de 69 103C 1 60,-2.9 62,-3.0 -2,-0.7 2,-0.7 -0.743 12.1-157.2 -85.1 116.8 43.1 41.1 32.6 43 47 A L E -de 70 104C 0 26,-3.1 28,-2.3 -2,-0.6 2,-1.0 -0.857 0.2-159.6 -95.5 115.5 41.1 44.3 32.7 44 48 A I E -de 71 105C 0 60,-2.8 62,-3.1 -2,-0.7 2,-0.6 -0.854 11.9-160.7 -97.7 99.6 43.5 47.3 33.0 45 49 A S E -de 72 106C 0 26,-3.1 28,-2.4 -2,-1.0 2,-0.8 -0.744 8.6-143.0 -84.8 119.1 41.2 50.0 34.4 46 50 A V E > -d 73 0C 3 60,-2.2 4,-1.5 -2,-0.6 62,-0.2 -0.757 37.6 -99.4 -86.6 111.7 42.6 53.4 33.8 47 51 A L T 4 S+ 0 0 19 26,-2.7 28,-0.3 -2,-0.8 2,-0.2 -0.293 79.7 7.6 -67.5 155.9 41.7 55.6 36.8 48 52 A K T >4 S+ 0 0 41 26,-0.1 3,-2.1 117,-0.1 4,-0.3 -0.848 121.7 38.6-101.0 -31.8 39.9 57.6 37.6 49 53 A G T >4 S+ 0 0 5 1,-0.3 3,-0.6 -2,-0.2 4,-0.5 0.740 112.2 53.9 -47.0 -36.5 37.2 58.0 35.0 50 54 A S T 3X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 -1,-0.3 0.537 78.2 96.0 -83.9 0.3 36.8 54.3 34.0 51 55 A F H <> S+ 0 0 0 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.883 89.8 42.6 -56.8 -38.9 36.1 53.1 37.6 52 56 A M H <> S+ 0 0 0 -3,-0.6 4,-1.8 -4,-0.3 5,-0.2 0.929 115.2 47.5 -74.4 -44.7 32.4 53.2 37.1 53 57 A F H > S+ 0 0 0 -4,-0.5 4,-2.8 111,-0.3 -2,-0.2 0.892 112.1 52.9 -59.4 -41.6 32.4 51.7 33.6 54 58 A T H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.916 105.2 53.7 -62.0 -44.1 34.8 49.0 34.9 55 59 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.914 116.9 36.4 -58.7 -46.6 32.4 48.0 37.8 56 60 A D H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.895 116.7 53.4 -76.5 -36.5 29.4 47.5 35.5 57 61 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.954 106.5 50.5 -63.6 -49.2 31.4 46.0 32.6 58 62 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.840 111.0 50.8 -60.8 -31.3 33.1 43.3 34.7 59 63 A R H X S+ 0 0 5 -4,-0.9 4,-1.7 -5,-0.3 -1,-0.3 0.897 110.0 48.9 -70.9 -39.0 29.7 42.3 36.1 60 64 A A H X S+ 0 0 4 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.890 111.4 49.8 -66.2 -38.9 28.4 42.0 32.5 61 65 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-1.2 0.900 107.1 55.1 -65.5 -38.1 31.4 39.9 31.5 62 66 A C H ><5S+ 0 0 22 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.878 99.3 61.2 -62.5 -35.1 30.7 37.8 34.6 63 67 A D H 3<5S+ 0 0 82 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.766 106.7 46.9 -61.9 -23.1 27.1 37.3 33.2 64 68 A F T <<5S- 0 0 87 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.016 119.4-112.8-107.3 25.0 28.9 35.7 30.2 65 69 A N T < 5 + 0 0 148 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 0.669 62.4 152.5 52.8 26.8 31.1 33.5 32.4 66 70 A V < - 0 0 12 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.2 -0.776 42.6-135.1 -87.1 122.0 34.4 35.3 31.4 67 71 A P - 0 0 20 0, 0.0 -26,-2.8 0, 0.0 2,-0.2 -0.671 31.5-170.9 -78.3 121.5 36.9 35.0 34.2 68 72 A V E -d 41 0C 4 -2,-0.5 2,-0.4 -28,-0.2 292,-0.3 -0.730 23.9-152.4-116.2 161.9 38.5 38.4 34.8 69 73 A R E -d 42 0C 21 -28,-2.1 -26,-3.1 -2,-0.2 2,-0.4 -0.997 23.3-139.0-128.6 126.3 41.4 39.9 36.8 70 74 A M E +d 43 0C 1 -2,-0.4 2,-0.3 288,-0.3 -26,-0.2 -0.764 23.1 175.0 -94.2 134.2 41.1 43.5 37.7 71 75 A E E -d 44 0C 3 -28,-2.3 -26,-3.1 -2,-0.4 2,-0.4 -0.964 11.8-159.9-132.4 143.3 44.0 45.9 37.6 72 76 A F E -d 45 0C 6 -2,-0.3 2,-0.3 21,-0.2 -26,-0.2 -0.996 8.4-169.1-126.3 133.5 43.8 49.7 38.2 73 77 A I E -d 46 0C 0 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.4 -0.936 8.8-156.5-125.9 149.3 46.4 52.1 37.0 74 78 A C E -H 92 0D 24 18,-2.0 17,-2.6 -2,-0.3 18,-1.7 -0.993 14.1-174.7-126.6 128.6 47.0 55.7 37.8 75 79 A V E -H 90 0D 39 -2,-0.4 2,-0.3 -28,-0.3 15,-0.2 -0.869 4.1-163.5-123.4 156.4 48.8 58.0 35.5 76 80 A S E -H 89 0D 50 13,-2.4 13,-3.2 -2,-0.3 2,-0.4 -0.942 26.6-104.0-137.0 159.2 50.0 61.6 35.8 77 81 A S - 0 0 89 -2,-0.3 11,-0.1 11,-0.2 3,-0.1 -0.682 19.1-144.2 -86.4 135.0 51.1 64.4 33.4 78 82 A Y - 0 0 106 9,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.773 67.4 -62.1 -65.7 -30.3 54.9 65.1 33.4 79 83 A G S > S- 0 0 30 4,-0.0 3,-0.9 -3,-0.0 2,-0.4 -0.874 74.7 -49.8 161.9 177.5 54.3 68.8 32.9 80 84 A E T 3 S- 0 0 103 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 -0.626 119.0 -9.3 -81.1 124.2 52.7 71.1 30.3 81 85 A G T 3 S+ 0 0 78 -2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.837 90.6 130.6 60.9 37.2 53.9 70.5 26.8 82 86 A L S < S+ 0 0 115 -3,-0.9 2,-0.3 5,-0.1 -2,-0.1 0.537 76.0 7.2 -94.8 -8.9 56.6 68.1 27.8 83 87 A T - 0 0 48 -4,-0.2 -2,-0.1 1,-0.0 -1,-0.0 -0.900 41.4-169.7-156.7 172.4 55.6 65.4 25.3 84 88 A S S S+ 0 0 73 -2,-0.3 -1,-0.0 -3,-0.1 -2,-0.0 0.080 83.9 83.3-150.4 4.0 53.2 65.0 22.4 85 89 A S S S- 0 0 70 2,-0.0 3,-0.1 32,-0.0 60,-0.0 0.400 110.5-116.4 -87.2 -4.9 53.9 61.2 22.4 86 90 A G + 0 0 6 1,-0.2 33,-0.2 32,-0.1 32,-0.1 0.725 52.2 175.6 73.2 22.8 51.3 61.2 25.1 87 91 A Q - 0 0 90 31,-0.1 -9,-0.4 1,-0.0 2,-0.3 -0.360 7.6-168.5 -62.0 137.5 53.9 59.9 27.5 88 92 A V - 0 0 9 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.915 25.7-113.4-131.5 152.6 52.6 59.7 31.1 89 93 A R E -H 76 0D 116 -13,-3.2 -13,-2.4 -2,-0.3 2,-0.8 -0.757 30.8-135.2 -82.8 127.6 54.1 59.2 34.5 90 94 A M E +H 75 0D 50 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.2 -0.790 31.2 168.8 -87.2 106.9 52.9 55.8 36.0 91 95 A L E S+ 0 0 81 -17,-2.6 2,-0.3 -2,-0.8 -16,-0.2 0.763 77.2 14.0 -86.6 -29.3 51.9 56.3 39.6 92 96 A L E S-H 74 0D 21 -18,-1.7 -18,-2.0 188,-0.1 -1,-0.4 -0.939 75.3-178.3-149.8 124.4 50.3 52.9 40.0 93 97 A D - 0 0 45 -2,-0.3 -21,-0.2 -20,-0.2 -18,-0.0 -0.502 43.6 -55.7-114.3-179.7 50.8 50.0 37.5 94 98 A T - 0 0 22 -2,-0.2 -1,-0.2 1,-0.1 -23,-0.1 -0.219 37.8-142.8 -58.9 146.3 49.5 46.5 37.2 95 99 A R S S+ 0 0 75 -3,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.905 86.2 43.0 -77.3 -44.1 50.1 44.2 40.2 96 100 A H S S- 0 0 40 1,-0.1 2,-0.2 2,-0.0 -2,-0.0 -0.671 98.0-100.1 -99.4 159.0 50.7 41.1 38.1 97 101 A S - 0 0 81 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 -0.527 21.5-155.4 -76.4 141.0 52.8 40.9 35.0 98 102 A I > + 0 0 2 -2,-0.2 3,-3.1 -4,-0.1 31,-0.5 0.553 53.5 126.1 -91.9 -11.3 50.6 40.9 31.8 99 103 A E B 3 S+I 128 0E 130 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.259 83.5 8.9 -50.6 120.4 53.4 39.1 29.9 100 104 A G T 3 S+ 0 0 48 27,-2.3 -1,-0.3 1,-0.3 2,-0.3 0.478 110.6 110.5 84.3 4.6 51.8 36.1 28.3 101 105 A H S < S- 0 0 32 -3,-3.1 29,-1.5 29,-0.1 28,-0.7 -0.751 74.5-110.8-114.3 158.3 48.2 37.1 29.3 102 106 A H E - 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