==== 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 27-NOV-00 1G9S . COMPND 2 MOLECULE: HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.W.GUDDAT,S.VOS,J.L.MARTIN,D.T.KEOUGH,J.DE JERSEY . 338 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 30 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 1 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 3 1 0 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 . 4 4 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 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 M 0 0 189 0, 0.0 2,-0.2 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 -12.4 -29.1 76.4 71.8 2 6 A K + 0 0 68 165,-0.1 167,-4.0 166,-0.0 2,-0.3 -0.547 360.0 155.2 -68.1 137.0 -30.1 78.2 75.0 3 7 A H - 0 0 39 165,-0.3 2,-0.3 166,-0.2 163,-0.1 -0.978 41.8-136.2-161.2 173.8 -28.0 76.5 77.7 4 8 A T - 0 0 59 -2,-0.3 163,-3.4 161,-0.0 2,-0.5 -0.910 18.3-139.6-132.0 157.1 -26.2 76.3 81.0 5 9 A V E -A 166 0A 33 -2,-0.3 2,-0.3 161,-0.3 161,-0.2 -0.986 18.9-173.8-124.5 126.0 -22.8 75.0 82.0 6 10 A E E -A 165 0A 97 159,-2.7 159,-3.5 -2,-0.5 2,-0.1 -0.875 33.0-101.6-116.2 151.1 -22.3 73.0 85.1 7 11 A V E +A 164 0A 78 -2,-0.3 157,-0.3 157,-0.3 -1,-0.0 -0.460 39.3 168.8 -68.9 138.7 -19.0 71.8 86.6 8 12 A M E S+ 0 0 44 155,-2.9 156,-0.2 1,-0.3 -1,-0.2 0.649 75.9 16.5-117.1 -41.8 -18.4 68.1 86.0 9 13 A I E S-A 163 0A 8 154,-2.5 154,-1.9 4,-0.0 -1,-0.3 -0.944 84.4-132.4-137.3 110.6 -14.8 67.8 87.1 10 14 A P >> - 0 0 56 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.267 24.1-111.3 -62.3 149.0 -13.4 70.6 89.2 11 15 A E H 3> S+ 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.841 116.6 52.5 -48.8 -42.6 -10.0 72.0 88.3 12 16 A A H 3> S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 106.5 53.6 -65.7 -36.7 -8.3 70.6 91.4 13 17 A E H <> S+ 0 0 104 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.921 111.5 45.7 -62.7 -43.8 -9.6 67.1 90.6 14 18 A I H X S+ 0 0 2 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.933 110.2 54.0 -63.9 -48.2 -8.1 67.4 87.1 15 19 A K H X S+ 0 0 151 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.894 111.9 44.8 -54.5 -43.2 -4.8 68.8 88.4 16 20 A A H X S+ 0 0 63 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.940 111.7 51.5 -67.9 -47.3 -4.4 65.8 90.8 17 21 A R H X S+ 0 0 62 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.873 109.4 51.4 -58.3 -38.6 -5.4 63.2 88.1 18 22 A I H X S+ 0 0 5 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.909 104.9 54.9 -67.4 -39.7 -2.8 64.7 85.7 19 23 A A H X S+ 0 0 17 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.913 111.2 46.6 -57.5 -42.5 -0.1 64.5 88.4 20 24 A E H X S+ 0 0 67 -4,-2.0 4,-2.6 2,-0.2 3,-0.3 0.977 110.3 50.9 -62.4 -56.4 -0.9 60.8 88.7 21 25 A L H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.3 5,-0.3 0.879 109.1 55.1 -47.9 -40.5 -1.0 60.3 84.9 22 26 A G H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 35,-0.3 0.933 107.5 46.6 -59.8 -48.1 2.4 62.0 84.9 23 27 A R H X S+ 0 0 135 -4,-2.1 4,-3.1 -3,-0.3 -2,-0.2 0.938 114.6 48.3 -58.8 -49.1 3.9 59.5 87.4 24 28 A Q H X S+ 0 0 72 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.913 113.3 44.8 -58.1 -49.8 2.5 56.6 85.5 25 29 A I H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.911 114.4 51.3 -64.0 -39.7 3.7 57.7 82.1 26 30 A T H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.959 109.2 49.0 -60.4 -52.5 7.1 58.6 83.7 27 31 A E H < S+ 0 0 125 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.902 111.1 52.4 -53.6 -44.5 7.4 55.1 85.3 28 32 A R H < S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.881 121.6 27.0 -61.6 -43.0 6.5 53.5 82.0 29 33 A Y H >X S+ 0 0 20 -4,-2.1 3,-1.4 -3,-0.2 4,-0.5 0.491 89.0 99.4-103.6 -1.6 9.1 55.3 79.8 30 34 A K T 3< S+ 0 0 99 -4,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.804 92.3 37.2 -57.3 -30.7 11.9 56.2 82.3 31 35 A D T 34 S+ 0 0 128 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.359 88.4 96.8-105.0 9.6 14.1 53.2 81.2 32 36 A S T <4 - 0 0 39 -3,-1.4 -1,-0.1 1,-0.1 -2,-0.1 0.959 63.6-159.5 -62.6 -54.4 13.4 53.2 77.5 33 37 A G < + 0 0 76 -4,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.403 53.4 99.7 91.4 -7.8 16.5 55.1 76.4 34 38 A S S S- 0 0 46 1,-0.1 -1,-0.3 0, 0.0 52,-0.1 -0.722 87.3 -78.1-106.6 165.8 15.3 56.3 72.9 35 39 A D - 0 0 110 50,-0.3 52,-2.4 -2,-0.3 2,-0.4 -0.193 47.9-150.6 -60.0 155.0 13.9 59.8 72.3 36 40 A M E -c 87 0B 7 23,-0.4 25,-2.1 50,-0.2 2,-0.4 -0.972 12.8-173.6-130.2 145.7 10.3 60.4 73.3 37 41 A V E -cd 88 61B 2 50,-2.4 52,-2.6 -2,-0.4 2,-0.5 -0.987 15.7-149.2-144.7 130.8 7.7 62.7 71.9 38 42 A L E -cd 89 62B 0 23,-2.3 25,-2.5 -2,-0.4 2,-0.6 -0.857 16.4-159.6 -96.6 128.2 4.2 63.6 73.0 39 43 A V E -cd 90 63B 0 50,-2.2 52,-2.8 -2,-0.5 2,-0.3 -0.905 4.6-161.2-114.5 107.0 1.9 64.5 70.1 40 44 A G E -cd 91 64B 0 23,-2.3 25,-2.1 -2,-0.6 2,-0.8 -0.607 16.3-131.0 -86.2 145.7 -1.1 66.5 70.9 41 45 A L E > - d 0 65B 10 50,-1.9 4,-1.4 -2,-0.3 52,-0.2 -0.856 42.5-106.4 -98.1 108.9 -4.0 66.6 68.6 42 46 A L E 4 S+ d 0 66B 23 23,-1.9 25,-0.6 -2,-0.8 2,-0.2 -0.367 81.2 16.8 -67.6 155.6 -5.0 70.2 68.0 43 47 A R T >4 S+ 0 0 23 23,-0.1 3,-1.8 190,-0.1 -1,-0.1 -0.854 122.6 38.7 -94.5 -36.4 -7.2 72.1 68.8 44 48 A G T 34 S+ 0 0 8 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.581 113.4 51.6 -46.4 -23.1 -8.9 70.5 71.8 45 49 A S T 3X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.3 0.384 72.0 101.5-104.5 8.7 -5.8 69.0 73.6 46 50 A F H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.891 87.8 45.3 -58.1 -39.2 -3.5 72.0 73.8 47 51 A M H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 5,-0.2 0.937 112.8 47.8 -71.1 -46.3 -4.3 72.6 77.5 48 52 A F H > S+ 0 0 1 -4,-0.3 4,-2.8 101,-0.3 5,-0.2 0.885 113.0 51.8 -60.7 -37.5 -4.1 69.0 78.6 49 53 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.957 105.7 54.0 -63.0 -50.6 -0.8 68.8 76.7 50 54 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.904 117.4 36.2 -49.7 -49.7 0.6 71.9 78.5 51 55 A D H < S+ 0 0 26 -4,-2.1 4,-0.5 2,-0.2 3,-0.3 0.887 115.7 53.3 -74.5 -41.1 -0.2 70.4 81.9 52 56 A L H >X S+ 0 0 0 -4,-2.8 3,-2.1 -5,-0.2 4,-0.6 0.943 103.7 53.6 -62.0 -49.8 0.6 66.8 81.2 53 57 A C H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.3 -1,-0.2 0.777 102.0 61.4 -58.9 -25.1 4.1 67.3 79.8 54 58 A R T 3< S+ 0 0 31 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.668 105.0 47.8 -74.8 -15.8 5.1 69.2 82.9 55 59 A E T <4 S+ 0 0 73 -3,-2.1 2,-1.0 -4,-0.5 -1,-0.2 0.453 87.8 98.9 -99.9 -6.3 4.4 66.0 85.0 56 60 A V << - 0 0 1 -3,-0.6 2,-0.7 -4,-0.6 4,-0.1 -0.742 57.8-164.1 -88.1 102.6 6.4 63.8 82.7 57 61 A Q + 0 0 144 -2,-1.0 2,-0.4 -35,-0.3 -1,-0.1 -0.052 59.9 89.1 -78.6 33.5 9.8 63.3 84.3 58 62 A V S S- 0 0 20 -2,-0.7 2,-0.2 -22,-0.0 -2,-0.1 -0.999 89.3-101.0-132.1 136.6 11.5 62.0 81.2 59 63 A S + 0 0 63 -2,-0.4 -23,-0.4 -29,-0.1 2,-0.3 -0.356 61.0 150.7 -57.2 118.4 13.2 64.1 78.7 60 64 A H - 0 0 5 -2,-0.2 269,-0.4 -4,-0.1 270,-0.3 -0.864 41.6-119.1-142.5 176.2 10.9 64.5 75.7 61 65 A E E -d 37 0B 11 -25,-2.1 -23,-2.3 -2,-0.3 2,-0.4 -0.816 22.5-138.2-115.3 158.5 9.9 66.7 72.8 62 66 A V E +d 38 0B 0 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.983 28.6 162.1-122.5 128.6 6.4 68.2 72.2 63 67 A D E -d 39 0B 1 -25,-2.5 -23,-2.3 -2,-0.4 2,-0.3 -0.889 20.4-144.2-137.6 167.2 4.7 68.3 68.8 64 68 A F E -d 40 0B 5 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.911 9.5-172.2-133.9 162.0 1.2 68.7 67.5 65 69 A M E -d 41 0B 3 -25,-2.1 -23,-1.9 -2,-0.3 2,-0.5 -0.986 11.0-151.1-151.0 142.2 -0.9 67.5 64.7 66 70 A T E -dE 42 77B 7 11,-2.1 10,-1.7 -2,-0.3 11,-1.4 -0.977 19.3-180.0-121.7 130.2 -4.4 68.5 63.5 67 71 A A E - E 0 75B 27 -25,-0.6 8,-0.2 -2,-0.5 6,-0.1 -0.919 26.2-123.3-129.2 154.9 -6.7 66.1 61.8 68 72 A S 0 0 25 6,-2.1 5,-0.1 -2,-0.3 -1,-0.1 -0.012 360.0 360.0 -74.0-168.7 -10.2 66.1 60.3 69 73 A S 0 0 107 3,-0.2 -1,-0.1 4,-0.0 4,-0.1 0.401 360.0 360.0-164.9 360.0 -12.7 63.5 61.6 70 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 71 82 A R 0 0 249 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -59.1 -15.4 61.3 56.2 72 83 A D - 0 0 124 1,-0.1 2,-0.9 0, 0.0 -3,-0.2 -0.381 360.0-114.9 -69.7 154.3 -11.8 60.5 55.4 73 84 A L - 0 0 31 -5,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.812 40.7-175.0 -95.2 105.3 -9.2 61.4 58.0 74 85 A K - 0 0 108 -2,-0.9 -6,-2.1 1,-0.0 2,-1.0 -0.748 28.0-120.0-104.8 149.3 -7.0 64.0 56.5 75 86 A I E +E 67 0B 58 -2,-0.3 3,-0.2 -8,-0.2 -8,-0.2 -0.737 29.6 174.2 -89.2 102.6 -3.9 65.6 57.9 76 87 A L E S+ 0 0 93 -10,-1.7 2,-0.2 -2,-1.0 -9,-0.2 0.698 80.1 10.9 -79.8 -19.8 -4.5 69.4 58.2 77 88 A K E S-E 66 0B 27 -11,-1.4 -11,-2.1 -3,-0.1 -1,-0.3 -0.774 78.1-155.5-160.7 109.7 -1.1 69.9 60.0 78 89 A D - 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f 0 120B 25 27,-2.8 29,-1.5 -2,-0.7 3,-0.1 -0.849 31.9-148.7-119.5 154.9 -5.8 63.6 73.2 93 104 A D E S+ 0 0 17 1,-0.3 29,-2.5 -2,-0.3 2,-0.3 0.867 81.6 4.9 -87.4 -41.4 -8.5 65.5 75.0 94 105 A I E - f 0 122B 28 27,-0.2 2,-0.4 26,-0.1 -1,-0.3 -0.996 52.6-168.7-150.9 141.1 -11.4 63.1 74.5 95 106 A I E + f 0 123B 4 27,-1.3 29,-2.7 -2,-0.3 32,-0.1 -0.998 28.2 138.3-127.5 126.0 -12.1 59.7 72.9 96 107 A D S S+ 0 0 38 -2,-0.4 31,-0.2 27,-0.2 -1,-0.1 0.519 80.4 18.5-129.0 -70.2 -15.7 58.6 72.3 97 108 A S S S- 0 0 21 31,-0.2 32,-2.9 32,-0.1 33,-2.0 0.888 87.0-142.6 -74.1 -38.8 -16.3 56.8 69.0 98 109 A G > + 0 0 5 30,-0.2 4,-1.7 31,-0.2 5,-0.1 0.489 63.9 119.3 89.5 4.5 -12.6 56.1 68.5 99 110 A N H > S+ 0 0 54 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.990 75.3 39.7 -64.2 -63.0 -12.7 56.7 64.8 100 111 A T H > S+ 0 0 31 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 118.7 45.7 -54.5 -52.3 -10.3 59.6 64.5 101 112 A L H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.934 108.5 57.6 -58.4 -47.2 -7.7 58.4 67.0 102 113 A S H X S+ 0 0 26 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.889 114.1 39.4 -49.0 -45.4 -7.9 54.9 65.5 103 114 A K H X S+ 0 0 97 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.915 111.5 54.0 -73.1 -47.8 -6.8 56.5 62.2 104 115 A V H X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.906 109.5 51.8 -54.7 -40.0 -4.3 59.0 63.5 105 116 A R H X S+ 0 0 38 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.910 107.8 51.0 -63.4 -43.0 -2.6 56.1 65.2 106 117 A E H X S+ 0 0 95 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.932 108.7 52.6 -60.6 -44.7 -2.5 54.1 61.9 107 118 A I H < S+ 0 0 42 -4,-2.8 4,-0.4 1,-0.2 3,-0.2 0.904 113.5 41.2 -58.8 -43.7 -0.9 57.1 60.2 108 119 A L H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.851 105.1 65.4 -73.8 -33.9 1.9 57.5 62.7 109 120 A S H >< S+ 0 0 68 -4,-2.4 3,-2.0 1,-0.3 -1,-0.2 0.872 93.1 64.0 -54.2 -37.3 2.4 53.7 63.0 110 121 A L T 3< S+ 0 0 138 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.751 92.3 62.0 -59.2 -26.5 3.5 53.9 59.3 111 122 A R T < S- 0 0 69 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.406 109.8-124.8 -83.4 4.2 6.5 56.0 60.3 112 123 A E < - 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