==== 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 1P17 . COMPND 2 MOLECULE: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR F.J.MEDRANO,A.E.EAKIN,S.P.CRAIG III . 778 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33418.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 119 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 8 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 . 76 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 2 0 0 0 1 2 2 4 0 1 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 3 4 0 4 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 . 11 4 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 3 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 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 2 A P 0 0 170 0, 0.0 2,-0.1 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 173.8 -17.3 41.6 2.7 2 3 A R - 0 0 92 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.445 360.0-134.4 -73.7 147.9 -14.1 43.0 4.3 3 4 A E - 0 0 177 -2,-0.1 2,-0.4 0, 0.0 -1,-0.0 -0.873 17.7-171.5-105.0 135.2 -13.5 46.7 3.9 4 5 A Y > - 0 0 38 -2,-0.4 3,-1.4 3,-0.2 -2,-0.0 -0.876 8.9-170.3-131.3 100.4 -10.1 48.0 2.9 5 6 A E T 3 S+ 0 0 165 -2,-0.4 -1,-0.1 1,-0.3 178,-0.1 0.894 93.3 46.8 -51.5 -46.7 -9.6 51.8 3.2 6 7 A F T 3 S+ 0 0 29 176,-0.1 177,-2.3 179,-0.0 2,-0.3 0.547 101.7 86.1 -75.4 -8.6 -6.2 51.6 1.4 7 8 A A E < -A 182 0A 9 -3,-1.4 175,-0.2 175,-0.2 -3,-0.2 -0.740 58.5-163.4 -98.4 145.8 -7.8 49.3 -1.2 8 9 A E E S- 0 0 119 173,-3.1 2,-0.3 1,-0.4 174,-0.1 0.742 73.2 -18.8 -94.5 -31.3 -9.6 50.5 -4.3 9 10 A K E -A 181 0A 118 172,-0.6 172,-2.3 -5,-0.0 2,-0.5 -0.950 66.0-109.7-170.6 156.8 -11.4 47.3 -5.3 10 11 A I E -A 180 0A 70 -2,-0.3 170,-0.2 170,-0.2 3,-0.1 -0.862 20.3-174.3-101.9 130.9 -11.1 43.6 -4.6 11 12 A L E S+ 0 0 29 168,-2.2 2,-0.3 -2,-0.5 169,-0.2 0.843 73.9 0.7 -88.3 -38.7 -10.0 41.3 -7.4 12 13 A F E -A 179 0A 42 167,-1.6 167,-1.8 4,-0.0 -1,-0.3 -0.989 66.3-141.4-152.0 144.0 -10.5 38.0 -5.6 13 14 A T > - 0 0 35 -2,-0.3 4,-3.3 165,-0.2 5,-0.3 -0.657 35.5-101.7-102.9 161.7 -11.8 37.0 -2.2 14 15 A E H > S+ 0 0 24 1,-0.3 4,-4.0 -2,-0.2 5,-0.2 0.929 126.2 44.8 -44.7 -56.3 -10.5 34.2 -0.0 15 16 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.891 112.4 51.7 -59.6 -40.1 -13.4 32.0 -1.0 16 17 A E H > S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 116.3 41.6 -61.3 -40.6 -12.9 33.0 -4.7 17 18 A I H X S+ 0 0 5 -4,-3.3 4,-2.2 2,-0.2 5,-0.3 0.925 107.2 59.9 -71.9 -46.8 -9.3 32.0 -4.4 18 19 A R H X S+ 0 0 122 -4,-4.0 4,-1.4 -5,-0.3 -1,-0.2 0.877 109.1 48.0 -49.1 -39.0 -9.9 28.9 -2.3 19 20 A T H X S+ 0 0 72 -4,-1.8 4,-1.9 -5,-0.2 3,-0.5 0.971 107.9 49.0 -69.3 -56.1 -11.9 27.7 -5.3 20 21 A R H X S+ 0 0 93 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.821 110.1 54.8 -55.4 -31.2 -9.6 28.4 -8.2 21 22 A I H X S+ 0 0 3 -4,-2.2 4,-3.6 2,-0.2 -1,-0.2 0.899 103.4 54.3 -69.3 -40.6 -6.8 26.7 -6.2 22 23 A K H X S+ 0 0 37 -4,-1.4 4,-3.2 -3,-0.5 -2,-0.2 0.938 109.4 48.2 -58.4 -47.7 -8.8 23.5 -5.8 23 24 A E H X S+ 0 0 104 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.877 114.8 44.8 -62.1 -37.9 -9.4 23.3 -9.6 24 25 A V H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.899 112.4 51.1 -73.7 -38.3 -5.7 23.9 -10.2 25 26 A A H X S+ 0 0 0 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.951 111.1 51.0 -58.8 -46.8 -4.8 21.4 -7.5 26 27 A K H X S+ 0 0 89 -4,-3.2 4,-2.0 -5,-0.2 -2,-0.2 0.924 109.4 48.5 -54.3 -52.5 -7.1 19.0 -9.3 27 28 A R H X S+ 0 0 135 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.930 109.5 52.6 -56.8 -48.3 -5.5 19.6 -12.7 28 29 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.923 108.1 50.8 -54.2 -48.5 -2.0 19.0 -11.3 29 30 A A H X S+ 0 0 15 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.884 110.1 51.0 -57.0 -40.8 -3.1 15.7 -9.7 30 31 A D H < S+ 0 0 96 -4,-2.0 3,-0.3 -5,-0.2 4,-0.3 0.885 111.9 46.9 -63.9 -41.2 -4.5 14.7 -13.1 31 32 A D H >< S+ 0 0 61 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.920 116.6 40.6 -68.7 -47.1 -1.3 15.6 -15.0 32 33 A Y H >X>S+ 0 0 2 -4,-2.7 3,-1.7 1,-0.2 4,-1.0 0.423 87.9 97.5 -83.9 2.3 1.1 13.8 -12.6 33 34 A K T 3<5S+ 0 0 172 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.803 82.2 51.2 -60.8 -31.2 -1.2 10.8 -12.1 34 35 A G T <45S+ 0 0 76 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.360 99.7 66.6 -89.7 8.3 0.7 8.8 -14.7 35 36 A K T <45S- 0 0 98 -3,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.860 100.6-120.8 -94.1 -42.7 4.1 9.5 -13.2 36 37 A G T <5 - 0 0 37 -4,-1.0 2,-0.1 1,-0.1 -3,-0.1 0.827 27.2-162.9 104.2 44.1 3.8 7.6 -9.9 37 38 A L < + 0 0 28 -5,-0.6 -1,-0.1 4,-0.0 34,-0.1 -0.396 16.0 174.0 -60.7 129.3 4.3 10.1 -7.1 38 39 A R B > -C 42 0B 164 4,-1.5 4,-2.0 -2,-0.1 31,-0.0 -0.999 35.4 -99.6-139.1 134.3 5.1 8.3 -3.9 39 40 A P T 4 S+ 0 0 44 0, 0.0 2,-2.3 0, 0.0 3,-0.2 -0.099 96.2 1.3 -54.6 152.1 6.1 9.8 -0.6 40 41 A Y T 4 S+ 0 0 31 1,-0.2 32,-0.0 324,-0.2 323,-0.0 -0.424 132.1 49.0 73.1 -70.9 9.7 9.9 0.4 41 42 A V T 4 S+ 0 0 101 -2,-2.3 -1,-0.2 1,-0.2 -4,-0.0 0.889 130.2 2.4 -69.8 -44.1 11.2 8.3 -2.7 42 43 A N B < S+C 38 0B 32 -4,-2.0 -4,-1.5 -3,-0.2 -1,-0.2 -0.393 80.1 155.3-147.2 67.6 9.5 10.2 -5.5 43 44 A P - 0 0 3 0, 0.0 2,-1.1 0, 0.0 60,-0.8 -0.265 54.6 -91.1 -87.1 176.0 7.2 13.1 -4.4 44 45 A L E -de 71 103C 0 26,-2.8 28,-1.7 58,-0.1 2,-0.5 -0.783 45.6-143.8 -87.2 102.2 6.2 16.3 -6.2 45 46 A V E -de 72 104C 0 58,-2.5 60,-2.6 -2,-1.1 2,-0.6 -0.563 11.0-157.9 -72.8 119.2 8.8 18.7 -5.1 46 47 A L E -de 73 105C 0 26,-3.1 28,-2.4 -2,-0.5 2,-1.1 -0.873 4.2-159.2 -99.5 119.8 7.4 22.1 -4.6 47 48 A I E -de 74 106C 0 58,-2.1 60,-2.7 -2,-0.6 2,-0.5 -0.814 13.5-160.9 -98.6 94.1 9.9 24.9 -4.7 48 49 A S E -de 75 107C 0 26,-2.5 28,-2.2 -2,-1.1 2,-1.1 -0.646 9.6-142.4 -75.4 120.5 8.1 27.7 -2.9 49 50 A V E > -d 76 0C 2 58,-2.2 4,-1.0 -2,-0.5 60,-0.2 -0.729 34.4-108.8 -92.1 98.2 9.7 31.0 -3.8 50 51 A L E 4 S+d 77 0C 8 26,-2.0 28,-0.6 -2,-1.1 2,-0.1 -0.233 76.8 9.7 -57.1 150.1 9.7 33.1 -0.6 51 52 A R T >4 S+ 0 0 42 26,-0.1 3,-1.9 115,-0.1 4,-0.3 -0.975 117.5 46.3-115.0 -9.7 8.2 35.4 0.2 52 53 A G T 34 S+ 0 0 6 1,-0.3 4,-0.3 -3,-0.2 3,-0.2 0.698 117.6 49.5 -61.0 -17.6 5.3 36.4 -2.0 53 54 A S T 3X S+ 0 0 0 -4,-1.0 4,-2.5 1,-0.1 5,-0.3 0.244 74.7 105.1-106.7 11.1 4.3 32.8 -2.1 54 55 A F H <> S+ 0 0 4 -3,-1.9 4,-1.3 1,-0.2 200,-0.2 0.926 92.1 33.7 -58.9 -44.4 4.3 32.0 1.6 55 56 A M H > S+ 0 0 0 -4,-0.3 4,-1.7 2,-0.2 5,-0.2 0.888 118.6 50.3 -79.4 -42.0 0.5 32.1 1.9 56 57 A F H >> S+ 0 0 1 -4,-0.3 4,-2.9 109,-0.3 3,-0.6 0.983 111.1 51.0 -58.0 -55.5 -0.3 30.7 -1.6 57 58 A T H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.868 105.4 57.0 -46.6 -46.9 2.1 27.8 -1.0 58 59 A A H 3X S+ 0 0 0 -4,-1.3 4,-0.9 -5,-0.3 -1,-0.2 0.902 114.5 35.9 -55.9 -45.7 0.4 27.0 2.3 59 60 A D H X S+ 0 0 9 -4,-0.9 4,-1.7 -3,-0.3 3,-0.7 0.961 110.4 48.1 -68.6 -46.4 -3.2 21.5 1.5 63 64 A A H 3X S+ 0 0 7 -4,-3.1 4,-1.0 1,-0.3 -2,-0.2 0.870 110.1 53.6 -59.3 -34.4 -5.5 21.4 -1.5 64 65 A L H 3<>S+ 0 0 0 -4,-2.1 5,-2.0 -5,-0.3 -1,-0.3 0.775 102.4 57.0 -71.1 -26.3 -3.0 19.0 -3.1 65 66 A C H X<5S+ 0 0 16 -4,-1.3 3,-2.3 -3,-0.7 -1,-0.2 0.891 98.9 62.2 -70.0 -37.8 -3.2 16.7 -0.1 66 67 A D H 3<5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.892 106.3 42.7 -52.1 -46.1 -7.0 16.5 -0.8 67 68 A F T 3<5S- 0 0 68 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.148 121.5-117.3 -87.8 20.5 -6.3 14.9 -4.2 68 69 A N T < 5 + 0 0 142 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.887 55.8 160.1 41.8 62.6 -3.7 12.8 -2.3 69 70 A V < - 0 0 10 -5,-2.0 2,-0.3 -8,-0.2 -1,-0.2 -0.941 39.8-127.5-110.4 120.1 -0.6 14.0 -4.1 70 71 A P - 0 0 20 0, 0.0 -26,-2.8 0, 0.0 2,-0.3 -0.521 36.1-176.8 -70.0 129.5 2.6 13.4 -2.2 71 72 A V E -d 44 0C 7 -2,-0.3 2,-0.5 -28,-0.2 295,-0.3 -0.898 25.6-151.9-129.0 157.1 4.6 16.6 -1.9 72 73 A R E -d 45 0C 28 -28,-1.7 -26,-3.1 -2,-0.3 2,-0.5 -0.997 22.4-139.2-125.6 122.0 8.0 17.8 -0.6 73 74 A M E +d 46 0C 2 -2,-0.5 2,-0.4 291,-0.3 -26,-0.2 -0.743 22.9 178.0 -88.3 122.9 8.1 21.4 0.6 74 75 A E E -d 47 0C 2 -28,-2.4 -26,-2.5 -2,-0.5 2,-0.6 -0.983 12.7-156.9-121.7 131.4 11.3 23.3 -0.3 75 76 A F E +d 48 0C 6 -2,-0.4 2,-0.4 19,-0.2 -26,-0.2 -0.944 13.6 179.8-116.3 116.8 11.6 26.9 0.6 76 77 A I E -d 49 0C 0 -28,-2.2 -26,-2.0 -2,-0.6 2,-0.5 -0.910 10.9-156.0-115.5 144.0 14.1 29.1 -1.4 77 78 A C E -dF 50 93C 8 16,-1.5 15,-3.2 -2,-0.4 16,-1.8 -0.968 9.3-172.2-124.3 127.9 14.8 32.7 -0.9 78 79 A V E - F 0 91C 30 -28,-0.6 2,-0.3 -2,-0.5 13,-0.2 -0.720 3.1-164.6-113.4 166.1 16.1 35.1 -3.5 79 80 A S E - F 0 90C 16 11,-1.6 11,-4.4 -2,-0.2 2,-0.1 -0.980 21.1-114.9-146.5 152.3 17.3 38.7 -3.4 80 81 A S - 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