==== 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 12-MAY-05 1ZNX . COMPND 2 MOLECULE: GUANYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR G.HIBLE,P.CHRISTOVA,L.RENAULT,E.SECLAMAN,A.THOMPSON,E.GIRARD . 182 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 18 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 0 0 2 3 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 3 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 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 20 A V 0 0 166 0, 0.0 2,-0.2 0, 0.0 91,-0.2 0.000 360.0 360.0 360.0 134.3 15.1 -14.7 42.2 2 21 A G - 0 0 11 89,-2.6 2,-0.2 93,-0.3 93,-0.2 -0.582 360.0-112.5 -77.8 146.2 16.9 -11.4 42.9 3 22 A R - 0 0 143 178,-0.7 94,-2.8 -2,-0.2 2,-0.5 -0.555 20.8-146.2 -76.0 144.3 15.0 -8.2 42.9 4 23 A V E -a 97 0A 8 111,-0.3 113,-2.8 -2,-0.2 2,-0.4 -0.987 18.2-172.1-109.8 120.2 15.7 -5.7 40.2 5 24 A V E -ab 98 117A 1 92,-2.5 94,-2.7 -2,-0.5 2,-0.6 -0.955 12.6-154.7-116.2 131.9 15.3 -2.1 41.4 6 25 A V E -ab 99 118A 0 111,-3.5 113,-3.6 -2,-0.4 2,-0.6 -0.957 14.0-160.2-108.2 117.5 15.5 1.0 39.1 7 26 A L E +ab 100 119A 0 92,-3.4 94,-1.7 -2,-0.6 2,-0.2 -0.870 24.7 145.5-105.8 120.3 16.6 4.1 41.0 8 27 A S E + b 0 120A 1 111,-2.9 113,-2.8 -2,-0.6 94,-0.1 -0.777 6.7 144.1-140.5-172.6 15.8 7.5 39.5 9 28 A G - 0 0 2 92,-0.3 94,-0.4 111,-0.2 113,-0.1 -0.967 54.2 -16.1 164.4-174.1 14.9 11.1 40.5 10 29 A P S > S- 0 0 2 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.237 71.7-100.7 -56.7 145.7 15.4 14.7 39.6 11 30 A S T 3 S+ 0 0 91 1,-0.3 91,-0.0 2,-0.1 140,-0.0 0.568 118.8 14.0 -44.7 -17.5 18.4 15.6 37.3 12 31 A A T 3 S+ 0 0 54 2,-0.1 -1,-0.3 3,-0.0 139,-0.0 -0.190 76.2 120.0-159.1 57.1 20.2 16.6 40.5 13 32 A V S < S- 0 0 6 -3,-1.6 -2,-0.1 108,-0.1 119,-0.0 0.435 88.2-104.4 -91.0 0.1 18.6 15.5 43.8 14 33 A G + 0 0 42 -4,-0.3 -2,-0.1 -5,-0.0 4,-0.1 0.877 53.5 168.8 78.3 104.5 22.0 13.6 44.3 15 34 A K > + 0 0 34 2,-0.1 4,-2.6 3,-0.1 3,-0.2 0.621 57.6 80.5-119.5 -20.9 22.1 9.9 43.8 16 35 A S H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.773 95.6 46.7 -64.1 -33.8 25.8 8.8 43.7 17 36 A T H > S+ 0 0 78 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.754 112.6 51.7 -76.6 -27.3 26.3 8.8 47.6 18 37 A V H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.943 111.2 47.2 -70.7 -48.5 23.0 6.8 47.9 19 38 A V H X S+ 0 0 11 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.888 111.1 51.7 -55.3 -44.2 24.3 4.3 45.4 20 39 A R H X S+ 0 0 189 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.916 108.4 50.9 -64.1 -42.7 27.7 4.2 47.2 21 40 A a H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.904 110.1 51.3 -55.8 -45.0 25.9 3.5 50.5 22 41 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 108.3 48.9 -63.6 -41.2 23.9 0.6 48.9 23 42 A R H < S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 6,-0.2 0.756 113.8 49.1 -75.1 -23.4 26.9 -1.1 47.4 24 43 A E H < S+ 0 0 161 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.852 114.3 44.0 -77.3 -38.8 28.6 -0.9 50.8 25 44 A R H < S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.818 112.3 52.1 -82.1 -30.3 25.5 -2.3 52.7 26 45 A I S >< S- 0 0 7 -4,-2.4 3,-1.9 -5,-0.2 -1,-0.2 -0.885 73.7-160.3-111.8 99.7 24.7 -5.2 50.2 27 46 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.681 88.5 32.2 -50.2 -33.9 28.0 -7.2 49.8 28 47 A N T 3 S+ 0 0 96 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.068 81.9 146.9-120.4 21.4 27.0 -8.9 46.5 29 48 A L < - 0 0 18 -3,-1.9 2,-0.9 -6,-0.2 68,-0.2 -0.365 43.9-137.0 -57.5 128.3 24.8 -6.2 45.0 30 49 A H E -c 97 0A 57 66,-2.8 68,-2.6 -2,-0.1 2,-0.7 -0.816 13.2-158.8 -94.3 110.0 25.0 -6.2 41.2 31 50 A F E -c 98 0A 48 -2,-0.9 68,-0.2 66,-0.2 66,-0.1 -0.768 32.3-108.9 -86.1 117.0 25.2 -2.6 40.0 32 51 A S - 0 0 14 66,-2.7 2,-0.6 -2,-0.7 68,-0.2 -0.189 27.1-145.9 -49.5 128.6 24.1 -2.6 36.3 33 52 A V - 0 0 22 50,-0.1 50,-0.4 14,-0.1 17,-0.2 -0.907 19.9-138.3-103.5 113.6 27.1 -2.1 33.9 34 53 A S - 0 0 33 -2,-0.6 17,-2.7 15,-0.4 2,-0.3 -0.338 5.3-125.6 -76.9 149.8 25.9 -0.1 30.9 35 54 A A E +eF 51 81B 0 46,-2.5 46,-1.8 15,-0.2 2,-0.3 -0.645 36.6 174.7 -82.0 149.4 26.9 -0.7 27.3 36 55 A T E -eF 52 80B 0 15,-1.9 17,-2.4 -2,-0.3 44,-0.2 -0.984 36.4-144.3-151.5 155.0 28.3 2.4 25.5 37 56 A T S S+ 0 0 23 42,-2.2 2,-0.1 -2,-0.3 43,-0.1 0.274 71.1 99.9-104.1 10.1 29.9 3.3 22.2 38 57 A R S S- 0 0 36 41,-0.3 15,-0.1 1,-0.1 -2,-0.1 -0.472 81.4 -96.7 -82.7 169.0 32.4 5.8 23.5 39 58 A A - 0 0 74 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.510 42.2 -97.1 -79.8 148.7 36.0 4.9 24.0 40 59 A P - 0 0 73 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.339 29.1-138.1 -54.7 143.2 37.4 3.8 27.5 41 60 A R > - 0 0 157 1,-0.1 3,-2.1 -2,-0.0 2,-0.0 -0.752 45.6 -79.5 -90.9 150.9 39.2 6.5 29.6 42 61 A P T 3 S+ 0 0 137 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.291 122.0 27.0 -46.9 130.9 42.4 5.2 31.3 43 62 A G T 3 S+ 0 0 75 1,-0.4 2,-0.4 -3,-0.0 0, 0.0 0.314 91.4 122.1 88.1 -9.9 41.5 3.2 34.4 44 63 A E < - 0 0 37 -3,-2.1 2,-0.5 4,-0.0 -1,-0.4 -0.726 51.9-150.3 -83.9 137.6 38.1 2.2 33.0 45 64 A V >>> - 0 0 80 -2,-0.4 4,-2.4 -3,-0.1 3,-2.0 -0.943 15.8-120.3-115.3 124.1 37.7 -1.6 32.8 46 65 A D B 345S+h 50 0C 100 -2,-0.5 5,-0.2 1,-0.3 0, 0.0 -0.481 104.3 23.2 -59.3 125.7 35.5 -3.3 30.2 47 66 A G T 345S+ 0 0 34 3,-2.7 -1,-0.3 -2,-0.2 4,-0.2 0.156 126.6 51.8 99.9 -17.9 32.9 -5.3 32.0 48 67 A V T <45S+ 0 0 97 -3,-2.0 -2,-0.2 2,-0.5 3,-0.1 0.746 119.9 21.8-112.2 -59.4 33.2 -3.1 35.2 49 68 A D T <5S- 0 0 72 -4,-2.4 -15,-0.4 1,-0.3 2,-0.3 0.901 136.1 -25.9 -80.4 -41.1 32.8 0.5 34.2 50 69 A Y B < -h 46 0C 61 -5,-0.9 -3,-2.7 -17,-0.2 2,-0.8 -0.952 59.0-108.4-156.5 162.9 31.0 -0.1 30.9 51 70 A H E -e 35 0B 58 -17,-2.7 -15,-1.9 -2,-0.3 2,-0.7 -0.931 42.7-145.2 -93.8 107.9 30.7 -2.8 28.3 52 71 A F E +e 36 0B 32 -2,-0.8 2,-0.3 -17,-0.2 -15,-0.2 -0.664 31.5 162.1 -82.8 112.4 32.6 -1.0 25.5 53 72 A I - 0 0 28 -17,-2.4 -2,-0.0 -2,-0.7 0, 0.0 -0.773 36.6-106.3-124.2 169.2 31.1 -1.8 22.2 54 73 A D > - 0 0 87 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.637 34.6-106.3 -97.0 156.1 31.2 -0.4 18.7 55 74 A P H > S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.833 119.8 53.2 -45.9 -41.1 28.4 1.6 17.0 56 75 A T H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.927 110.5 45.0 -61.8 -50.0 27.6 -1.3 14.7 57 76 A R H > S+ 0 0 105 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.933 110.6 55.5 -57.6 -48.4 27.2 -3.8 17.6 58 77 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.894 108.1 47.7 -53.9 -45.5 25.1 -1.3 19.5 59 78 A Q H X S+ 0 0 71 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.906 109.4 54.4 -62.1 -42.8 22.7 -1.0 16.6 60 79 A Q H X S+ 0 0 95 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.946 109.6 47.2 -52.2 -53.8 22.5 -4.8 16.4 61 80 A L H <>S+ 0 0 17 -4,-2.6 5,-2.6 1,-0.2 6,-0.5 0.860 110.4 52.3 -56.5 -43.7 21.6 -5.0 20.1 62 81 A I H ><5S+ 0 0 31 -4,-2.2 3,-1.3 -5,-0.2 -1,-0.2 0.950 110.8 48.9 -52.9 -50.6 18.9 -2.3 19.6 63 82 A D H 3<5S+ 0 0 119 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.814 111.6 47.3 -64.5 -33.2 17.5 -4.2 16.7 64 83 A Q T 3<5S- 0 0 131 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.357 113.4-112.1 -91.5 2.3 17.3 -7.6 18.6 65 84 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.889 74.1 135.1 68.0 41.0 15.7 -6.1 21.7 66 85 A E < + 0 0 66 -5,-2.6 18,-3.0 -6,-0.1 19,-0.5 0.474 50.4 78.6-100.1 -3.6 18.7 -6.7 23.9 67 86 A L E -G 83 0B 14 -6,-0.5 16,-0.3 16,-0.3 3,-0.2 -0.906 60.3-159.7-104.6 130.2 18.6 -3.2 25.5 68 87 A L E S- 0 0 5 14,-3.0 44,-0.3 -2,-0.5 2,-0.3 0.851 85.8 -16.0 -70.9 -32.7 16.1 -2.5 28.4 69 88 A E E -G 82 0B 18 13,-0.9 13,-1.6 -3,-0.1 -1,-0.3 -0.957 67.9-177.8-160.7 154.8 16.7 1.2 27.5 70 89 A W E -G 81 0B 95 -2,-0.3 2,-0.3 11,-0.2 11,-0.3 -0.981 3.8-167.5-151.3 158.3 19.2 3.3 25.5 71 90 A A E -G 80 0B 36 9,-2.9 9,-2.0 -2,-0.3 2,-0.4 -0.984 29.8-108.8-142.1 156.1 19.8 6.9 24.7 72 91 A E E -G 79 0B 92 -2,-0.3 2,-0.4 7,-0.2 3,-0.4 -0.712 40.0-140.7 -72.0 132.5 21.9 9.1 22.4 73 92 A I E >>S-G 78 0B 46 5,-3.7 4,-1.8 -2,-0.4 5,-1.4 -0.853 72.6 -1.9-106.4 135.9 24.5 10.9 24.4 74 93 A H T 45S- 0 0 151 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.870 136.4 -48.0 52.0 48.1 25.5 14.5 23.9 75 94 A G T 45S- 0 0 86 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.779 119.0 -41.8 68.1 26.7 23.1 14.9 20.9 76 95 A G T 45S+ 0 0 36 2,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.688 91.9 134.2 94.3 21.2 24.4 11.7 19.4 77 96 A L T <5S- 0 0 134 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.866 89.8 -28.9 -55.5 -37.2 28.2 11.8 19.9 78 97 A H E < - G 0 73B 17 -5,-1.4 -5,-3.7 -40,-0.0 2,-0.3 -0.920 69.4-105.2-165.6-175.9 27.6 8.2 21.1 79 98 A R E - G 0 72B 50 -2,-0.3 -42,-2.2 -7,-0.2 -41,-0.3 -0.944 23.2-179.2-131.8 146.7 25.1 5.9 22.7 80 99 A S E +FG 36 71B 18 -9,-2.0 -9,-2.9 -2,-0.3 2,-0.3 -0.958 15.2 144.1-138.5 155.4 24.6 4.3 26.2 81 100 A G E -FG 35 70B 1 -46,-1.8 -46,-2.5 -2,-0.3 2,-0.5 -0.972 46.5 -84.0-177.2 175.9 22.1 1.9 27.6 82 101 A T E - G 0 69B 0 -13,-1.6 -14,-3.0 -2,-0.3 -13,-0.9 -0.834 37.3-137.2-100.4 121.5 21.2 -1.0 29.9 83 102 A L E > - G 0 67B 25 -2,-0.5 4,-0.7 -50,-0.4 -16,-0.3 -0.618 5.2-148.6 -80.1 134.8 21.6 -4.5 28.5 84 103 A A H > S+ 0 0 8 -18,-3.0 4,-2.3 -2,-0.3 5,-0.2 0.888 85.6 61.4 -68.6 -43.3 18.8 -6.9 29.3 85 104 A Q H > S+ 0 0 122 -19,-0.5 4,-2.7 1,-0.2 5,-0.2 0.878 102.2 46.4 -62.6 -47.8 20.8 -10.2 29.6 86 105 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.859 113.4 52.0 -61.8 -36.4 23.2 -9.4 32.5 87 106 A V H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.937 114.0 41.5 -64.2 -48.1 20.3 -8.1 34.5 88 107 A R H X S+ 0 0 95 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.853 114.9 51.0 -70.1 -35.2 18.2 -11.2 33.9 89 108 A A H X S+ 0 0 48 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.882 110.9 48.5 -70.1 -40.1 21.1 -13.6 34.5 90 109 A A H >X>S+ 0 0 14 -4,-2.2 5,-2.2 -5,-0.2 4,-0.6 0.933 112.1 48.1 -62.5 -52.4 22.0 -11.9 37.8 91 110 A A H ><5S+ 0 0 7 -4,-2.1 -89,-2.6 1,-0.2 3,-0.8 0.887 110.9 51.7 -53.6 -41.9 18.4 -12.0 39.1 92 111 A A H 3<5S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 106.5 54.2 -68.4 -24.6 18.1 -15.7 38.1 93 112 A T H <<5S- 0 0 112 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.578 123.9-109.6 -82.3 -14.1 21.3 -16.5 40.0 94 113 A G T <<5S+ 0 0 40 -3,-0.8 -3,-0.2 -4,-0.6 -91,-0.2 0.485 73.5 136.4 98.5 3.6 19.7 -14.8 43.0 95 114 A V < - 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