==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-APR-03 1P18 . COMPND 2 MOLECULE: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR B.CANYUK,A.E.EAKIN,S.P.CRAIG III . 381 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 69.6 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 . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 22.8 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+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 0 0 0 0 3 0 1 1 0 0 0 2 0 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 0 117 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.6 20.2 67.8 35.7 2 6 A E T 3 + 0 0 135 1,-0.3 183,-0.0 3,-0.0 0, 0.0 0.339 360.0 67.0 -73.8 11.8 20.4 71.5 35.0 3 7 A F T 3 S+ 0 0 46 181,-0.0 179,-2.7 182,-0.0 2,-0.4 0.288 90.1 83.6-107.1 3.4 24.2 71.4 34.4 4 8 A A E < -A 181 0A 11 -3,-1.8 177,-0.2 177,-0.3 3,-0.1 -0.894 60.5-159.3-114.4 139.9 23.6 69.3 31.2 5 9 A E E S- 0 0 59 175,-2.5 2,-0.3 -2,-0.4 176,-0.1 0.726 78.5 -11.2 -85.8 -19.7 22.7 70.5 27.8 6 10 A K E -A 180 0A 123 174,-0.8 174,-2.7 0, 0.0 2,-0.5 -0.983 64.2-106.4-174.0 158.9 21.3 67.1 26.8 7 11 A I E +A 179 0A 80 -2,-0.3 172,-0.2 172,-0.2 3,-0.1 -0.844 28.4 175.2 -95.6 122.3 20.9 63.4 27.6 8 12 A L E - 0 0 32 170,-1.9 2,-0.4 -2,-0.5 171,-0.2 0.907 68.1 -3.5 -89.4 -58.8 23.1 61.1 25.5 9 13 A F E -A 178 0A 52 169,-1.9 169,-2.5 4,-0.0 -1,-0.3 -0.998 63.2-138.4-140.2 139.3 22.4 57.7 27.1 10 14 A T > - 0 0 47 -2,-0.4 4,-2.8 167,-0.2 5,-0.2 -0.470 37.5-102.3 -88.9 162.6 20.3 56.5 30.1 11 15 A E H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.841 123.7 52.8 -50.4 -37.8 21.6 53.9 32.6 12 16 A E H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 109.0 45.2 -66.2 -48.7 19.2 51.4 30.8 13 17 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 115.6 50.0 -62.0 -40.0 20.5 52.1 27.3 14 18 A I H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.929 110.0 50.5 -62.9 -45.5 24.1 51.9 28.7 15 19 A R H X S+ 0 0 128 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.932 110.6 49.3 -57.1 -52.6 23.3 48.6 30.4 16 20 A T H X S+ 0 0 78 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.948 111.7 46.8 -53.8 -57.5 21.8 47.1 27.2 17 21 A R H X S+ 0 0 84 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.901 109.0 54.8 -55.5 -45.0 24.8 48.0 25.1 18 22 A I H X S+ 0 0 4 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.944 106.5 51.3 -56.1 -44.0 27.3 46.7 27.6 19 23 A K H X S+ 0 0 81 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.882 111.3 48.7 -61.3 -35.6 25.6 43.4 27.7 20 24 A E H X S+ 0 0 97 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.939 112.0 48.0 -68.6 -47.8 25.8 43.3 23.8 21 25 A V H X S+ 0 0 7 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.961 111.6 50.8 -58.3 -47.1 29.5 44.3 23.9 22 26 A A H X S+ 0 0 0 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.837 108.8 51.6 -58.9 -37.6 30.2 41.6 26.5 23 27 A K H X S+ 0 0 115 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.884 109.2 49.5 -68.9 -39.8 28.4 38.9 24.5 24 28 A R H X S+ 0 0 111 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.968 111.9 49.0 -60.2 -52.8 30.5 39.8 21.4 25 29 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.921 108.7 54.0 -51.2 -50.1 33.7 39.6 23.5 26 30 A A H < S+ 0 0 16 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.901 111.9 43.6 -53.9 -47.2 32.6 36.2 24.9 27 31 A D H >< S+ 0 0 85 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.915 109.8 56.5 -63.9 -47.9 32.1 34.7 21.4 28 32 A D H 3< S+ 0 0 76 -4,-2.9 3,-0.2 1,-0.3 -1,-0.2 0.761 114.6 38.9 -56.7 -27.6 35.4 36.3 20.2 29 33 A Y T 3<>S+ 0 0 11 -4,-1.6 5,-0.5 -3,-0.3 3,-0.4 0.371 81.4 105.8-105.3 4.5 37.3 34.5 23.0 30 34 A K T < 5S+ 0 0 84 -3,-1.3 3,-0.4 -4,-0.4 -1,-0.1 0.747 84.8 47.9 -55.7 -24.6 35.3 31.2 22.9 31 35 A G T 5S+ 0 0 75 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.836 92.2 73.6 -87.5 -33.3 38.4 29.6 21.2 32 36 A K T 5S- 0 0 35 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.413 96.8-127.8 -63.4 1.4 41.2 30.9 23.4 33 37 A G T 5 - 0 0 52 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.1 0.865 29.6-162.2 51.5 46.6 40.2 28.4 26.2 34 38 A L < + 0 0 28 -5,-0.5 -1,-0.2 4,-0.0 7,-0.1 -0.409 15.2 174.4 -62.9 122.9 40.0 31.1 29.0 35 39 A R B > -C 39 0B 35 4,-1.4 4,-2.5 -2,-0.3 31,-0.0 -0.981 34.5 -97.2-135.7 142.0 40.1 29.4 32.4 36 40 A P T 4 S+ 0 0 58 0, 0.0 2,-2.3 0, 0.0 3,-0.1 -0.212 101.1 2.1 -57.4 144.8 40.3 30.8 36.0 37 41 A Y T 4 S+ 0 0 43 1,-0.2 320,-0.0 320,-0.1 32,-0.0 -0.357 137.1 44.5 76.1 -54.8 43.7 31.0 37.7 38 42 A V T 4 S+ 0 0 105 -2,-2.3 -1,-0.2 1,-0.2 -4,-0.0 0.877 129.0 8.5 -88.6 -42.0 45.6 29.7 34.6 39 43 A N B < S+C 35 0B 31 -4,-2.5 -4,-1.4 -3,-0.1 -1,-0.2 -0.437 77.8 158.0-142.5 67.9 44.2 31.5 31.6 40 44 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 62,-0.5 -0.505 50.3-102.2 -90.8 163.2 41.8 34.4 32.5 41 45 A L E -d 68 0C 0 26,-3.1 28,-2.3 -2,-0.2 2,-0.6 -0.699 41.8-140.8 -78.5 116.4 40.8 37.4 30.4 42 46 A V E -de 69 103C 0 60,-2.9 62,-3.4 -2,-0.6 2,-0.6 -0.741 12.9-161.5 -89.1 122.4 42.8 40.2 31.9 43 47 A L E -de 70 104C 0 26,-3.2 28,-3.2 -2,-0.6 2,-1.0 -0.925 1.5-164.3-102.7 113.2 41.0 43.5 32.2 44 48 A I E -de 71 105C 0 60,-2.5 62,-2.7 -2,-0.6 2,-0.6 -0.850 12.8-160.3 -99.3 90.0 43.4 46.4 32.7 45 49 A S E -de 72 106C 0 26,-2.6 28,-2.2 -2,-1.0 2,-0.8 -0.670 9.9-140.6 -73.9 117.5 41.1 49.0 33.8 46 50 A V E > -d 73 0C 2 60,-2.8 4,-1.2 -2,-0.6 62,-0.2 -0.720 40.2 -97.0 -84.7 112.8 42.7 52.5 33.3 47 51 A L T 4 S+ 0 0 17 26,-2.7 28,-0.4 -2,-0.8 2,-0.2 -0.280 79.9 12.7 -69.6 158.2 41.8 54.6 36.4 48 52 A R T >4 S+ 0 0 58 26,-0.1 3,-2.2 117,-0.1 4,-0.3 -0.861 122.5 32.1 -96.7 -37.9 39.9 56.6 37.3 49 53 A G T >> S+ 0 0 5 1,-0.3 3,-1.1 -2,-0.2 4,-0.6 0.796 109.9 64.8 -44.6 -42.5 36.9 57.0 34.9 50 54 A S H 3X S+ 0 0 0 -4,-1.2 4,-3.6 1,-0.2 5,-0.3 0.680 76.6 89.4 -59.0 -19.9 36.9 53.3 33.9 51 55 A F H <> S+ 0 0 0 -3,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.882 92.2 40.9 -49.2 -45.4 36.0 52.1 37.4 52 56 A M H <> S+ 0 0 0 -3,-1.1 4,-1.8 -4,-0.3 5,-0.2 0.967 117.5 46.3 -70.2 -48.7 32.2 52.4 36.7 53 57 A F H X S+ 0 0 0 -4,-0.6 4,-2.6 111,-0.3 5,-0.2 0.929 113.3 51.1 -56.3 -48.9 32.4 50.9 33.2 54 58 A T H X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 5,-0.3 0.886 106.6 54.6 -58.3 -39.5 34.6 48.1 34.4 55 59 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.895 113.5 39.8 -63.9 -43.5 32.3 47.2 37.3 56 60 A D H X S+ 0 0 33 -4,-1.8 4,-1.4 -3,-0.2 -2,-0.2 0.895 116.9 50.3 -76.2 -33.7 29.3 46.8 35.0 57 61 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 3,-0.3 0.942 104.7 53.1 -70.4 -50.9 31.2 45.0 32.2 58 62 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.877 111.5 50.4 -56.0 -31.9 33.0 42.4 34.3 59 63 A R H X S+ 0 0 10 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.3 0.886 110.0 48.1 -71.3 -36.8 29.6 41.5 35.6 60 64 A A H X S+ 0 0 3 -4,-1.4 4,-1.1 -3,-0.3 3,-0.3 0.928 112.1 49.9 -67.1 -44.9 28.2 41.3 32.0 61 65 A L H ><>S+ 0 0 0 -4,-3.3 5,-2.2 1,-0.2 3,-0.7 0.908 107.0 55.1 -58.1 -42.7 31.2 39.1 31.0 62 66 A C H ><5S+ 0 0 24 -4,-2.1 3,-1.9 -5,-0.3 -1,-0.2 0.842 100.1 60.2 -59.7 -35.1 30.5 36.9 34.1 63 67 A D H 3<5S+ 0 0 64 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.851 107.8 45.9 -60.5 -32.9 26.9 36.5 32.8 64 68 A F T <<5S- 0 0 40 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 -0.008 122.0-111.7 -99.3 23.4 28.5 34.9 29.7 65 69 A N T < 5 + 0 0 138 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.781 61.3 155.9 53.5 35.8 30.8 32.9 31.8 66 70 A V < - 0 0 8 -5,-2.2 2,-0.5 -8,-0.1 -1,-0.2 -0.848 39.9-136.8 -94.9 116.4 34.0 34.7 30.8 67 71 A P - 0 0 22 0, 0.0 -26,-3.1 0, 0.0 2,-0.2 -0.619 33.2-176.2 -74.3 120.6 36.7 34.2 33.6 68 72 A V E -d 41 0C 5 -2,-0.5 2,-0.4 -28,-0.2 292,-0.3 -0.714 24.8-151.5-117.9 163.8 38.3 37.6 34.1 69 73 A R E -d 42 0C 24 -28,-2.3 -26,-3.2 -2,-0.2 2,-0.5 -0.984 19.4-140.8-134.3 123.2 41.1 39.1 36.2 70 74 A M E +d 43 0C 2 -2,-0.4 2,-0.4 288,-0.3 -26,-0.2 -0.803 20.4 177.9 -94.0 128.0 40.9 42.8 37.1 71 75 A E E -d 44 0C 2 -28,-3.2 -26,-2.6 -2,-0.5 2,-0.4 -0.985 12.6-158.2-124.9 124.6 44.1 44.9 37.0 72 76 A F E -d 45 0C 5 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.907 11.6-172.5-106.6 133.1 43.7 48.6 37.9 73 77 A I E -d 46 0C 0 -28,-2.2 -26,-2.7 -2,-0.4 2,-0.5 -0.964 11.3-155.1-127.0 149.9 46.4 51.0 36.7 74 78 A C E -H 92 0D 6 18,-2.5 17,-3.2 -2,-0.4 18,-1.7 -0.986 12.8-173.8-129.4 121.0 47.0 54.6 37.4 75 79 A V E -H 90 0D 22 -2,-0.5 2,-0.4 -28,-0.4 15,-0.2 -0.762 6.1-154.4-110.0 160.7 48.9 56.9 35.0 76 80 A S E -H 89 0D 24 13,-1.9 13,-3.2 -2,-0.3 2,-0.0 -0.998 22.1-106.7-141.5 142.7 50.0 60.5 35.4 77 81 A S - 0 0 89 -2,-0.4 11,-0.1 11,-0.2 3,-0.1 -0.310 14.0-149.0 -65.9 138.8 50.8 63.4 33.1 78 82 A Y - 0 0 135 9,-0.5 2,-0.1 1,-0.3 -1,-0.1 0.553 64.0 -81.2 -82.1 -11.1 54.4 64.3 32.6 79 83 A G > - 0 0 32 3,-0.0 3,-1.2 0, 0.0 4,-0.4 -0.338 60.7 -53.2 122.8 155.7 53.3 67.9 32.1 80 84 A E T 3 S+ 0 0 108 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.398 121.2 2.7 -65.2 128.9 51.9 70.0 29.3 81 85 A G T 3 S+ 0 0 89 -2,-0.2 -1,-0.3 1,-0.1 0, 0.0 0.842 99.7 111.4 64.1 36.5 54.0 69.9 26.1 82 86 A L S < S+ 0 0 68 -3,-1.2 -2,-0.1 5,-0.1 3,-0.1 0.730 88.6 6.3-107.9 -32.8 56.5 67.5 27.5 83 87 A T - 0 0 38 -4,-0.4 2,-2.4 4,-0.1 -3,-0.1 0.814 57.0-176.6-115.9 -51.9 55.8 64.3 25.5 84 88 A S S S+ 0 0 52 1,-0.2 -1,-0.1 3,-0.1 -3,-0.0 -0.429 77.6 80.3 75.5 -54.0 53.3 64.8 22.7 85 89 A S S S- 0 0 72 -2,-2.4 -1,-0.2 1,-0.2 60,-0.0 0.313 114.5-108.0 -61.6 4.9 53.7 61.0 22.0 86 90 A G + 0 0 5 1,-0.2 32,-0.2 31,-0.1 -1,-0.2 0.632 58.7 167.3 76.6 12.6 51.3 60.4 24.9 87 91 A Q - 0 0 88 31,-0.1 -9,-0.5 32,-0.0 2,-0.3 -0.341 13.1-170.0 -59.4 137.1 53.9 59.1 27.3 88 92 A V - 0 0 10 -11,-0.1 2,-0.4 27,-0.1 -11,-0.2 -0.925 26.9-109.8-132.2 155.8 52.6 58.8 30.8 89 93 A R E -H 76 0D 133 -13,-3.2 -13,-1.9 -2,-0.3 2,-0.7 -0.743 32.3-132.6 -80.4 127.9 54.1 58.1 34.3 90 94 A M E +H 75 0D 51 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.2 -0.774 32.8 169.3 -84.5 114.9 53.1 54.7 35.6 91 95 A L E S+ 0 0 66 -17,-3.2 2,-0.4 -2,-0.7 -16,-0.2 0.825 75.6 9.1 -91.9 -41.3 51.9 55.2 39.2 92 96 A L E S-H 74 0D 28 -18,-1.7 -18,-2.5 188,-0.0 -1,-0.4 -0.977 76.4-175.9-142.3 120.5 50.4 51.8 39.7 93 97 A D - 0 0 43 -2,-0.4 -21,-0.2 -20,-0.2 -18,-0.0 -0.438 44.8 -55.4-105.7 179.6 50.9 49.1 37.1 94 98 A T - 0 0 24 -2,-0.2 -1,-0.2 1,-0.1 -23,-0.1 -0.271 37.8-142.3 -58.1 143.5 49.4 45.5 36.9 95 99 A R S S+ 0 0 65 -3,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.831 85.8 44.5 -76.8 -32.8 50.0 43.3 39.9 96 100 A H S S- 0 0 51 1,-0.0 2,-0.2 2,-0.0 -2,-0.1 -0.717 94.8 -98.3-111.7 160.9 50.5 40.3 37.7 97 101 A S - 0 0 84 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.527 19.6-160.8 -75.4 143.4 52.4 39.6 34.5 98 102 A I > + 0 0 3 -2,-0.2 3,-3.1 28,-0.1 31,-0.5 0.509 50.1 127.5 -99.2 -7.8 50.3 39.8 31.3 99 103 A E T 3 S+ 0 0 133 1,-0.3 28,-0.2 29,-0.2 3,-0.1 -0.285 82.9 8.9 -55.1 121.1 53.0 37.9 29.4 100 104 A G T 3 S+ 0 0 45 27,-2.4 -1,-0.3 1,-0.3 2,-0.3 0.434 110.9 115.1 86.1 2.9 51.3 35.0 27.7 101 105 A H S < S- 0 0 27 -3,-3.1 29,-1.4 26,-0.1 2,-0.6 -0.708 72.7-115.7-110.2 155.1 47.9 36.3 28.6 102 106 A H E - 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