==== 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 HYDROLASE 08-DEC-04 1WUR . COMPND 2 MOLECULE: GTP CYCLOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.TANAKA,N.NAKAGAWA,R.MASUI,S.YOKOYAMA,S.KURAMITSU,RIKEN STR . 924 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 0 0.0 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 . 41 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 9 5 0 0 0 0 3 2 10 0 5 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 10 0 0 0 0 5 5 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 32 A E 0 0 231 0, 0.0 2,-0.3 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 150.5 -14.2 -44.5 3.8 2 33 A V - 0 0 39 1,-0.1 2,-1.5 37,-0.0 3,-0.1 -0.614 360.0-125.1 -82.6 134.6 -16.1 -42.6 1.1 3 34 A D > - 0 0 103 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 -0.613 28.9-178.1 -79.3 89.0 -17.8 -44.5 -1.7 4 35 A L H > S+ 0 0 52 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.815 77.7 59.3 -57.9 -35.8 -16.2 -42.8 -4.7 5 36 A E H > S+ 0 0 133 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 107.3 44.9 -62.4 -43.3 -18.3 -44.9 -7.1 6 37 A R H > S+ 0 0 134 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.895 111.7 53.0 -68.8 -39.1 -21.6 -43.6 -5.7 7 38 A L H X S+ 0 0 53 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.918 108.6 50.6 -61.1 -41.9 -20.3 -40.0 -5.7 8 39 A Q H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.896 110.3 49.5 -61.8 -42.4 -19.4 -40.4 -9.3 9 40 A A H X S+ 0 0 41 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.915 112.7 47.0 -63.3 -44.0 -22.9 -41.6 -10.1 10 41 A L H X S+ 0 0 81 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.895 113.2 48.4 -65.2 -41.1 -24.5 -38.7 -8.3 11 42 A A H X S+ 0 0 17 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.892 109.1 53.3 -66.3 -41.0 -22.2 -36.2 -9.9 12 43 A A H X S+ 0 0 34 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.916 112.6 44.3 -60.4 -42.7 -22.9 -37.7 -13.4 13 44 A E H X S+ 0 0 105 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.861 107.9 59.2 -70.8 -34.0 -26.6 -37.3 -12.7 14 45 A W H X S+ 0 0 181 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 102.3 54.3 -58.7 -45.8 -26.1 -33.8 -11.3 15 46 A L H <>S+ 0 0 19 -4,-2.2 5,-2.3 1,-0.2 4,-0.3 0.880 110.4 44.9 -57.2 -41.9 -24.6 -32.7 -14.7 16 47 A Q H ><5S+ 0 0 118 -4,-1.2 3,-1.1 3,-0.2 -1,-0.2 0.892 110.0 54.3 -73.5 -35.7 -27.6 -33.9 -16.6 17 48 A V H 3<5S+ 0 0 108 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.863 105.4 53.1 -66.1 -35.7 -30.1 -32.3 -14.2 18 49 A I T 3<5S- 0 0 106 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.523 126.7 -98.9 -77.8 -4.1 -28.5 -28.9 -14.5 19 50 A G T < 5S+ 0 0 68 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.562 80.3 127.4 101.2 9.4 -28.8 -29.0 -18.3 20 51 A E < - 0 0 77 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.1 -0.385 62.8-110.6 -93.5 173.6 -25.3 -30.1 -19.2 21 52 A D > - 0 0 90 1,-0.1 3,-1.6 -2,-0.1 6,-0.2 -0.887 20.0-168.2-108.5 102.4 -24.0 -33.0 -21.4 22 53 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.674 87.9 59.2 -60.8 -17.4 -22.2 -35.6 -19.3 23 54 A G T 3 S+ 0 0 48 -3,-0.1 5,-0.1 3,-0.0 2,-0.1 0.603 78.5 107.7 -89.9 -13.5 -21.0 -37.1 -22.6 24 55 A R S X> S- 0 0 109 -3,-1.6 3,-2.1 1,-0.1 4,-1.0 -0.377 82.7-107.1 -69.6 145.8 -19.1 -34.1 -23.9 25 56 A E G >4 S+ 0 0 178 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.791 114.4 49.1 -35.8 -54.9 -15.3 -34.2 -23.9 26 57 A G G 34 S+ 0 0 42 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.632 114.3 44.7 -68.6 -16.0 -14.7 -31.8 -21.1 27 58 A L G X4 S+ 0 0 19 -3,-2.1 3,-0.7 -6,-0.2 -1,-0.2 0.507 84.8 92.9-105.6 -7.0 -17.1 -33.4 -18.6 28 59 A L T << S+ 0 0 108 -4,-1.0 4,-0.3 -3,-0.7 -2,-0.1 0.875 97.4 32.8 -54.3 -43.8 -16.2 -37.1 -19.2 29 60 A K T 3> S+ 0 0 123 -4,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.467 96.8 94.4 -92.7 -2.8 -13.7 -37.2 -16.3 30 61 A T H <> S+ 0 0 26 -3,-0.7 4,-3.4 1,-0.2 5,-0.3 0.906 78.5 52.9 -57.7 -49.5 -15.6 -34.7 -14.2 31 62 A P H > S+ 0 0 17 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.911 113.8 46.1 -54.8 -40.1 -17.7 -37.1 -12.1 32 63 A E H > S+ 0 0 87 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.917 114.2 47.0 -66.6 -46.3 -14.4 -38.9 -11.1 33 64 A R H X S+ 0 0 134 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.913 113.7 48.1 -62.6 -45.0 -12.6 -35.6 -10.4 34 65 A V H X S+ 0 0 52 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.917 109.8 52.7 -62.8 -44.2 -15.6 -34.3 -8.3 35 66 A A H X S+ 0 0 1 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.930 112.9 43.3 -58.2 -48.5 -15.8 -37.5 -6.3 36 67 A K H X S+ 0 0 124 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.882 112.0 55.0 -65.7 -38.6 -12.1 -37.5 -5.4 37 68 A A H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 109.4 45.9 -61.2 -47.2 -12.3 -33.7 -4.6 38 69 A W H X S+ 0 0 74 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.797 107.4 56.6 -68.9 -28.6 -15.1 -34.2 -2.1 39 70 A A H < S+ 0 0 21 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.917 113.3 42.8 -67.1 -39.8 -13.5 -37.1 -0.4 40 71 A F H >< S+ 0 0 100 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.922 110.7 54.9 -69.6 -45.0 -10.5 -34.8 0.2 41 72 A L H 3< S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.627 116.3 38.2 -65.9 -14.1 -12.6 -31.8 1.2 42 73 A T T >< S+ 0 0 21 -4,-0.9 3,-1.6 -3,-0.4 4,-0.4 0.227 81.5 109.1-119.4 12.8 -14.3 -34.0 3.9 43 74 A R G X + 0 0 100 -3,-1.5 3,-0.9 1,-0.3 -2,-0.1 0.716 62.7 77.3 -62.7 -20.5 -11.2 -35.9 5.0 44 75 A G G > S+ 0 0 0 69,-1.7 3,-1.0 -4,-0.3 -1,-0.3 0.766 84.5 61.5 -61.8 -28.2 -11.2 -34.0 8.3 45 76 A Y G < S+ 0 0 112 -3,-1.6 -1,-0.2 68,-0.6 -2,-0.2 0.844 104.9 49.2 -65.1 -34.5 -14.1 -36.1 9.6 46 77 A R G < S+ 0 0 114 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 0.253 92.5 100.3 -91.5 10.5 -11.9 -39.2 9.3 47 78 A Q < - 0 0 50 -3,-1.0 2,-0.5 63,-0.2 3,-0.1 -0.668 62.8-137.6 -99.2 154.3 -8.8 -37.8 11.1 48 79 A R > - 0 0 174 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.945 9.3-140.8-113.3 129.3 -7.7 -38.3 14.7 49 80 A L H > S+ 0 0 22 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.839 103.9 55.6 -53.6 -38.0 -6.4 -35.4 16.8 50 81 A E H >>S+ 0 0 167 1,-0.2 4,-1.5 2,-0.2 5,-0.5 0.904 111.5 42.2 -63.6 -42.8 -3.8 -37.8 18.3 51 82 A E H 45S+ 0 0 137 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.853 112.0 55.5 -72.5 -36.0 -2.4 -38.7 14.9 52 83 A V H <5S+ 0 0 11 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 110.4 44.4 -63.7 -41.2 -2.6 -35.1 13.7 53 84 A V H ><5S- 0 0 7 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.849 89.0-160.0 -72.4 -34.8 -0.5 -33.8 16.6 54 85 A G T 3<5 - 0 0 54 -4,-1.5 -3,-0.1 1,-0.3 -4,-0.1 0.778 61.4 -70.4 59.4 28.4 2.0 -36.7 16.1 55 86 A G T 3 - d 0 116B 8 5,-2.7 4,-2.3 -2,-0.4 3,-0.4 -0.534 13.5-141.8 -70.6 132.3 -20.5 -24.0 4.4 78 109 A E T 4 S+ 0 0 69 38,-2.6 -1,-0.2 -2,-0.2 39,-0.1 0.722 96.7 60.6 -66.5 -18.1 -22.9 -26.7 5.6 79 110 A H T 4 S+ 0 0 85 37,-0.4 -1,-0.2 1,-0.1 38,-0.1 0.845 126.3 6.0 -79.6 -34.9 -25.8 -24.5 4.4 80 111 A H T 4 S- 0 0 77 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.430 89.3-122.8-127.2 -5.5 -25.0 -24.1 0.7 81 112 A L < + 0 0 82 -4,-2.3 -3,-0.1 1,-0.3 34,-0.0 0.899 69.8 131.3 59.2 39.6 -22.1 -26.5 0.2 82 113 A L - 0 0 44 -5,-0.4 -5,-2.7 1,-0.0 -1,-0.3 -0.951 62.6 -94.5-120.1 145.5 -20.1 -23.5 -1.2 83 114 A P E -B 76 0B 42 0, 0.0 64,-2.1 0, 0.0 2,-0.4 -0.183 33.1-176.1 -63.4 144.5 -16.5 -22.6 -0.1 84 115 A F E +BE 75 146B 1 -9,-1.7 -9,-2.8 62,-0.2 2,-0.3 -0.972 19.4 164.2-134.5 137.2 -15.7 -20.1 2.6 85 116 A F E +BE 74 145B 67 60,-2.1 60,-2.8 -2,-0.4 2,-0.3 -0.985 13.6 110.4-152.8 166.4 -12.0 -19.3 3.3 86 117 A G E -BE 73 144B 21 -13,-1.9 -13,-2.2 -2,-0.3 2,-0.3 -0.872 60.8 -39.4 166.5-130.4 -9.5 -17.0 4.9 87 118 A K E -BE 72 143B 86 56,-2.4 56,-2.6 -2,-0.3 2,-0.4 -0.943 31.3-148.1-136.4 152.9 -7.2 -17.2 7.8 88 119 A V E -BE 71 142B 0 -17,-2.2 -17,-2.5 -2,-0.3 2,-0.5 -0.969 11.8-162.2-118.7 134.7 -7.0 -18.6 11.3 89 120 A H E - E 0 141B 18 52,-2.9 52,-2.6 -2,-0.4 2,-0.4 -0.970 8.9-165.2-119.3 129.1 -5.0 -16.9 14.1 90 121 A I E +BE 68 140B 1 -22,-3.0 -22,-3.1 -2,-0.5 2,-0.4 -0.946 9.8 176.4-121.2 136.8 -4.1 -18.8 17.2 91 122 A G E +BE 67 139B 0 48,-2.8 48,-3.4 -2,-0.4 2,-0.3 -0.997 8.5 159.7-137.3 139.0 -2.8 -17.6 20.5 92 123 A Y E -BE 66 138B 1 -26,-2.1 -26,-2.6 -2,-0.4 46,-0.2 -0.994 33.6-135.7-155.4 159.2 -2.0 -19.5 23.7 93 124 A I E - E 0 137B 21 44,-1.8 43,-2.3 -2,-0.3 44,-1.0 -0.985 36.6-127.2-117.7 117.5 -0.1 -19.3 27.0 94 125 A P - 0 0 6 0, 0.0 4,-0.1 0, 0.0 2,-0.1 -0.137 14.9-160.5 -63.0 156.9 1.7 -22.6 27.8 95 126 A D S S- 0 0 99 2,-0.5 -32,-0.1 38,-0.3 3,-0.0 -0.627 84.5 -46.5-135.0 65.2 1.4 -24.5 31.1 96 127 A G S S+ 0 0 49 -34,-0.2 -36,-1.4 -2,-0.1 2,-0.4 0.183 126.3 76.0 91.3 -16.5 4.5 -26.6 30.7 97 128 A K E -A 59 0A 73 -38,-0.3 -2,-0.5 36,-0.2 2,-0.3 -0.988 51.4-172.3-137.1 136.4 3.9 -27.6 27.1 98 129 A I E -A 58 0A 3 -40,-2.9 -40,-2.9 -2,-0.4 2,-0.3 -0.864 23.7-125.6-117.5 155.3 4.2 -26.0 23.7 99 130 A L E -A 57 0A 2 -2,-0.3 -42,-0.2 -42,-0.2 5,-0.1 -0.763 29.4 -99.1-104.5 146.3 3.0 -27.4 20.4 100 131 A G >> - 0 0 11 -44,-2.5 3,-1.2 -2,-0.3 4,-0.6 -0.435 39.3-125.1 -58.0 130.9 5.0 -27.9 17.2 101 132 A L H >> S+ 0 0 21 1,-0.3 3,-1.3 2,-0.2 4,-0.7 0.854 106.2 54.9 -49.4 -44.5 4.1 -24.9 15.0 102 133 A S H 3> S+ 0 0 15 1,-0.3 4,-1.9 2,-0.2 3,-0.4 0.769 94.3 69.3 -64.1 -26.5 2.9 -26.9 12.0 103 134 A K H <> S+ 0 0 41 -3,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.764 90.9 61.5 -65.6 -22.9 0.5 -29.0 14.1 104 135 A F H > - 0 0 12 -2,-0.3 4,-1.9 -40,-0.2 3,-1.0 -0.972 35.9-126.3-129.5 132.8 -20.3 -22.9 10.1 118 149 A Q H 3> S+ 0 0 2 -2,-0.4 4,-1.7 1,-0.3 5,-0.2 0.820 107.7 60.3 -54.1 -33.9 -17.5 -20.4 10.9 119 150 A E H 3> S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.859 109.7 42.7 -61.6 -37.0 -18.6 -19.9 14.5 120 151 A R H <> S+ 0 0 46 -3,-1.0 4,-2.9 2,-0.2 5,-0.3 0.854 105.4 62.3 -76.6 -40.5 -18.1 -23.7 15.1 121 152 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.902 104.9 48.0 -53.1 -43.4 -14.8 -23.9 13.3 122 153 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.922 113.2 47.9 -64.3 -45.4 -13.2 -21.4 15.7 123 154 A V H X S+ 0 0 23 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.917 111.6 48.2 -62.1 -48.8 -14.5 -23.3 18.7 124 155 A Q H X S+ 0 0 49 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.863 111.5 49.9 -64.0 -37.3 -13.4 -26.7 17.6 125 156 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.949 113.2 47.2 -65.5 -45.9 -9.9 -25.5 16.7 126 157 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.887 112.7 48.7 -62.1 -41.4 -9.6 -23.9 20.2 127 158 A E H X S+ 0 0 109 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.858 108.5 54.1 -68.7 -34.4 -11.0 -27.0 22.0 128 159 A A H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 110.9 45.4 -65.2 -42.8 -8.6 -29.2 20.1 129 160 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.5 0.907 111.2 53.1 -66.3 -43.1 -5.6 -27.1 21.2 130 161 A Q H X S+ 0 0 60 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.883 111.5 46.8 -58.6 -41.4 -6.9 -27.0 24.8 131 162 A E H < S+ 0 0 139 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.904 114.8 45.2 -68.5 -43.9 -7.1 -30.8 24.8 132 163 A V H < S+ 0 0 29 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.871 130.9 18.8 -70.0 -39.2 -3.7 -31.4 23.3 133 164 A L H < S- 0 0 0 -4,-2.6 -38,-0.3 -5,-0.1 -36,-0.2 0.681 79.1-145.5-107.8 -21.8 -1.7 -28.9 25.4 134 165 A E < - 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