==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUL-08 3DMP . COMPND 2 MOLECULE: URACIL PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 855 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 9.1 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 61 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 4 0 0 0 8 6 2 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 16 8 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 PARALLEL BRIDGES PER LADDER . 0 8 1 1 1 4 1 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 . 8 8 0 0 0 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 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 0 A S 0 0 97 0, 0.0 14,-1.4 0, 0.0 15,-0.4 0.000 360.0 360.0 360.0-140.8 25.5 3.3 3.2 2 1 A M E -A 14 0A 84 12,-0.2 12,-0.2 13,-0.1 2,-0.2 -0.978 360.0-160.8-140.1 130.7 26.3 4.5 6.7 3 2 A K E -A 13 0A 114 10,-2.6 10,-2.3 -2,-0.4 2,-0.3 -0.478 14.9-153.5 -85.4 164.0 28.0 7.4 8.6 4 3 A Q - 0 0 111 8,-0.2 2,-0.5 -2,-0.2 8,-0.1 -0.982 11.2-132.4-135.9 157.3 29.3 7.3 12.2 5 4 A D > - 0 0 36 3,-0.5 3,-2.1 6,-0.4 6,-0.2 -0.925 21.0-129.7-106.3 130.5 29.8 10.0 14.9 6 5 A S T 3 S+ 0 0 131 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.719 106.9 56.5 -45.8 -30.7 33.1 9.9 16.7 7 6 A R T 3 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 0.747 103.9 53.7 -74.6 -25.8 31.3 10.0 20.1 8 7 A F X - 0 0 2 -3,-2.1 3,-1.6 1,-0.1 -3,-0.5 -0.807 54.8-176.0-126.6 94.6 29.1 6.9 19.5 9 8 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.665 88.1 39.8 -65.3 -20.8 30.8 3.5 18.6 10 9 A N T 3 S+ 0 0 41 174,-0.1 176,-2.6 175,-0.0 2,-0.4 0.110 91.1 99.2-117.7 23.5 27.5 1.6 18.1 11 10 A L E < - b 0 186A 1 -3,-1.6 2,-0.4 -6,-0.2 -6,-0.4 -0.923 51.1-168.6-107.0 133.0 25.3 4.2 16.4 12 11 A F E - b 0 187A 34 174,-2.2 176,-2.8 -2,-0.4 2,-0.6 -0.983 10.2-151.3-126.4 132.6 25.0 4.0 12.6 13 12 A I E -Ab 3 188A 9 -10,-2.3 -10,-2.6 -2,-0.4 2,-0.9 -0.925 8.2-149.6-110.6 114.3 23.5 6.7 10.4 14 13 A L E +A 2 0A 0 174,-3.1 -12,-0.2 -2,-0.6 33,-0.1 -0.739 23.5 170.9 -88.5 103.1 21.8 5.4 7.2 15 14 A D + 0 0 45 -14,-1.4 -13,-0.1 -2,-0.9 -1,-0.1 0.019 11.9 151.1-115.2 27.4 22.3 8.2 4.8 16 15 A H >> - 0 0 71 -15,-0.4 4,-2.3 1,-0.1 3,-0.8 -0.333 58.2-113.6 -48.2 135.3 21.2 6.8 1.5 17 16 A P H 3> S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.807 115.9 49.2 -42.9 -40.7 19.8 9.7 -0.7 18 17 A L H 3> S+ 0 0 93 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.815 108.6 52.3 -81.0 -25.4 16.3 8.4 -0.7 19 18 A I H <> S+ 0 0 3 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.954 113.9 43.8 -66.0 -49.5 16.3 7.9 3.1 20 19 A Q H X S+ 0 0 105 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 115.2 50.2 -57.7 -47.9 17.4 11.5 3.6 21 20 A H H X S+ 0 0 103 -4,-2.5 4,-1.5 -5,-0.2 3,-0.3 0.957 112.5 44.4 -56.9 -57.7 14.9 12.7 0.9 22 21 A K H X S+ 0 0 50 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.802 110.6 56.2 -58.2 -35.0 11.9 10.8 2.5 23 22 A L H X S+ 0 0 6 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.900 103.2 55.5 -62.3 -41.9 13.0 12.0 6.0 24 23 A T H X S+ 0 0 82 -4,-2.1 4,-2.2 -3,-0.3 -2,-0.2 0.904 103.8 52.7 -59.2 -43.0 12.8 15.6 4.8 25 24 A H H < S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.2 6,-0.2 0.845 111.6 47.8 -64.8 -31.2 9.2 15.2 3.6 26 25 A M H < S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.904 106.9 55.4 -70.7 -45.2 8.4 13.9 7.2 27 26 A R H < S+ 0 0 63 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.917 88.4 97.2 -49.9 -43.8 10.3 16.9 8.8 28 27 A D >< - 0 0 73 -4,-2.2 3,-1.5 -5,-0.2 177,-0.0 -0.268 68.4-150.5 -58.0 119.7 8.0 19.2 6.8 29 28 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.645 92.6 62.1 -68.1 -15.7 5.1 20.4 8.9 30 29 A D T 3 S+ 0 0 135 2,-0.0 2,-0.4 -5,-0.0 -1,-0.3 0.500 73.4 113.6 -87.0 -6.0 2.9 20.8 5.8 31 30 A T S < S- 0 0 24 -3,-1.5 5,-0.0 -6,-0.2 -6,-0.0 -0.567 73.4-118.1 -67.7 121.3 3.0 17.1 4.9 32 31 A S > - 0 0 61 -2,-0.4 4,-2.7 1,-0.1 5,-0.1 -0.042 18.3-111.5 -55.7 160.1 -0.5 15.6 5.4 33 32 A T H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.888 117.3 58.9 -63.2 -41.0 -1.2 12.9 7.9 34 33 A R H > S+ 0 0 158 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.965 113.0 38.3 -46.9 -58.5 -1.8 10.4 5.1 35 34 A T H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 109.9 59.0 -68.0 -42.0 1.7 10.9 3.7 36 35 A F H X S+ 0 0 5 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.917 108.6 47.2 -51.8 -47.7 3.5 11.2 7.1 37 36 A R H X S+ 0 0 26 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.911 111.7 48.8 -59.9 -47.8 2.3 7.7 8.0 38 37 A E H X S+ 0 0 78 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.933 109.3 53.0 -62.2 -45.6 3.3 6.2 4.7 39 38 A L H X S+ 0 0 13 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.764 105.6 54.8 -57.4 -32.0 6.8 7.7 4.9 40 39 A L H X S+ 0 0 2 -4,-1.4 4,-1.7 -3,-0.3 -1,-0.2 0.954 112.8 42.8 -62.7 -51.9 7.3 6.2 8.4 41 40 A R H X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.940 116.6 48.1 -59.0 -50.9 6.5 2.8 6.9 42 41 A E H X S+ 0 0 63 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.907 109.2 50.0 -57.5 -53.3 8.6 3.4 3.8 43 42 A I H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.889 110.6 49.5 -58.6 -44.3 11.8 4.7 5.5 44 43 A T H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.890 106.2 56.7 -68.6 -35.3 12.0 1.9 7.9 45 44 A L H X S+ 0 0 44 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.958 112.7 43.0 -51.3 -52.0 11.6 -0.7 5.0 46 45 A L H X S+ 0 0 56 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.931 112.5 51.3 -62.1 -47.3 14.6 1.0 3.5 47 46 A M H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 3,-0.2 0.922 108.4 53.9 -56.2 -42.3 16.5 1.1 6.8 48 47 A G H X S+ 0 0 1 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.898 103.8 55.8 -54.9 -44.4 15.7 -2.6 7.2 49 48 A Y H >< S+ 0 0 129 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.873 107.7 47.8 -60.4 -41.3 17.2 -3.4 3.8 50 49 A E H >< S+ 0 0 11 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.871 111.9 49.5 -63.9 -39.7 20.6 -1.8 4.8 51 50 A I H 3< S+ 0 0 23 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.543 107.2 56.0 -83.8 -3.0 20.8 -3.6 8.1 52 51 A T T X< + 0 0 29 -4,-0.7 3,-1.6 -3,-0.5 -1,-0.2 0.230 68.5 110.0-114.9 14.7 20.0 -7.0 6.6 53 52 A R T < S+ 0 0 137 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.777 79.9 50.3 -55.2 -32.0 22.9 -7.0 4.0 54 53 A N T 3 S+ 0 0 161 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.162 75.8 141.4-102.0 18.6 24.6 -9.7 6.0 55 54 A L < - 0 0 43 -3,-1.6 -3,-0.1 1,-0.1 2,-0.0 -0.410 56.6-112.5 -63.4 129.1 21.8 -12.2 6.4 56 55 A P - 0 0 106 0, 0.0 19,-0.5 0, 0.0 2,-0.4 -0.326 31.7-152.4 -56.0 136.4 22.8 -15.9 6.1 57 56 A I E +G 74 0B 117 17,-0.1 17,-0.2 15,-0.0 2,-0.2 -0.976 19.6 168.6-118.5 126.1 21.4 -17.6 3.0 58 57 A T E -G 73 0B 101 15,-1.7 15,-3.3 -2,-0.4 2,-0.4 -0.550 32.8-103.8-111.0-171.8 20.6 -21.4 2.7 59 58 A T E -G 72 0B 74 13,-0.3 2,-0.3 -2,-0.2 11,-0.0 -0.967 21.3-166.2-124.4 129.5 18.7 -23.3 0.0 60 59 A K E -G 71 0B 140 11,-2.0 11,-2.2 -2,-0.4 2,-0.4 -0.705 35.4-107.0 -92.5 157.9 15.2 -24.8 -0.1 61 60 A R E +G 70 0B 168 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.733 49.0 169.6 -78.9 135.5 14.1 -27.1 -2.8 62 61 A V E -G 69 0B 66 7,-2.0 7,-2.7 -2,-0.4 2,-0.6 -0.991 28.7-140.6-147.7 138.3 11.7 -25.4 -5.2 63 62 A E E -G 68 0B 150 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.921 14.7-161.5-104.2 123.3 10.2 -26.3 -8.5 64 63 A T - 0 0 51 3,-2.9 -2,-0.0 -2,-0.6 0, 0.0 -0.372 46.1 -92.0 -77.8 166.3 9.9 -23.5 -11.1 65 64 A P S S+ 0 0 139 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.676 128.0 35.8 -50.8 -14.4 7.5 -24.0 -14.0 66 65 A L S S- 0 0 162 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.834 123.9 -7.4-107.3 -45.3 10.6 -25.3 -15.8 67 66 A V - 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0 0 0 -24,-2.6 2,-0.4 -2,-0.5 19,-0.2 -0.823 17.0-141.6-125.0 171.9 6.5 -8.8 19.7 106 105 A H E - I 0 123C 12 17,-3.4 17,-2.8 -2,-0.3 2,-0.5 -0.999 10.1-169.0-140.4 137.4 5.4 -5.7 21.6 107 106 A I E -hI 84 122C 0 -24,-1.8 -22,-2.1 -2,-0.4 2,-0.6 -0.968 9.0-164.8-127.4 113.8 6.9 -3.5 24.3 108 107 A G E +hI 85 121C 0 13,-3.9 12,-1.7 -2,-0.5 13,-1.2 -0.893 30.0 138.5 -99.4 119.9 4.7 -0.9 25.9 109 108 A V + 0 0 4 -24,-0.6 39,-0.1 -2,-0.6 10,-0.1 -0.606 6.0 141.6-158.8 86.5 6.5 1.7 28.0 110 109 A Y S S+ 0 0 70 8,-0.2 34,-0.1 -2,-0.1 9,-0.1 0.752 84.2 62.2 -66.3 -29.8 5.2 5.3 27.5 111 110 A R + 0 0 21 7,-0.3 2,-3.6 33,-0.1 3,-0.3 0.145 54.8 83.9-176.7 -75.9 5.8 5.1 30.6 112 111 A A + 0 0 1 6,-0.3 35,-0.1 1,-0.2 7,-0.0 -0.309 63.9 172.0 -62.5 50.9 9.0 4.4 32.4 113 112 A D - 0 0 75 -2,-3.6 -1,-0.2 1,-0.1 31,-0.1 0.774 64.1 -35.2 -49.9 -38.4 9.0 8.2 31.7 114 113 A D S S+ 0 0 111 -3,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.485 126.0 55.0-144.0 -56.2 12.1 8.7 33.9 115 114 A H S S- 0 0 63 465,-0.1 -3,-0.1 1,-0.1 -2,-0.1 0.839 109.8 -16.9 -70.4 -46.4 12.7 6.7 37.1 116 115 A R S S- 0 0 27 -5,-0.1 2,-0.7 495,-0.0 -2,-0.2 -0.933 79.2 -78.9-149.0 165.1 12.6 3.0 36.1 117 116 A P - 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