==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-DEC-10 3Q2O . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE, ATPASE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR L.W.FUNG,M.L.TUNTLAND,B.D.SANTARSIERO,M.E.JOHNSON . 754 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 18.8 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 62 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 4 1 2 0 0 2 11 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 2 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 . 2 0 4 6 6 2 2 0 2 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 4 0 0 0 0 2 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 1 A M 0 0 174 0, 0.0 199,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.2 -1.9 20.9 20.6 2 2 A T + 0 0 100 197,-0.1 2,-0.1 2,-0.0 198,-0.1 0.633 360.0 120.8-106.2 -18.0 -1.4 19.3 24.0 3 3 A R - 0 0 143 196,-0.1 2,-0.4 1,-0.0 196,-0.1 -0.296 40.8-171.6 -60.2 119.2 -4.4 16.9 24.2 4 4 A I - 0 0 62 -2,-0.1 2,-0.7 195,-0.1 294,-0.2 -0.939 18.5-151.0-116.3 134.4 -3.2 13.2 24.6 5 5 A I - 0 0 12 292,-2.2 3,-0.1 -2,-0.4 294,-0.1 -0.909 27.6-148.9-102.9 106.7 -5.4 10.1 24.5 6 6 A L > - 0 0 49 -2,-0.7 3,-1.9 1,-0.1 696,-0.0 -0.383 25.1 -86.4 -79.1 151.5 -3.7 7.5 26.7 7 7 A P T 3 S+ 0 0 17 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.240 115.6 47.2 -45.0 140.7 -3.7 3.7 26.4 8 8 A G T 3 S+ 0 0 56 23,-1.1 24,-0.1 1,-0.5 2,-0.1 0.058 90.4 108.3 102.6 -22.6 -6.8 2.3 28.1 9 9 A K S < S- 0 0 83 -3,-1.9 24,-2.5 1,-0.1 2,-0.5 -0.343 74.8-104.3 -79.0 169.5 -9.1 4.9 26.4 10 10 A T E -a 33 0A 14 22,-0.2 61,-2.5 -3,-0.1 62,-1.3 -0.854 22.5-157.8-102.9 125.2 -11.5 4.0 23.6 11 11 A I E -ab 34 72A 0 22,-3.0 24,-2.4 -2,-0.5 2,-0.4 -0.889 13.3-152.9 -97.0 124.4 -10.9 4.8 20.0 12 12 A G E -ab 35 73A 0 60,-3.0 62,-2.6 -2,-0.6 2,-0.5 -0.842 7.9-160.9 -99.8 136.1 -14.1 4.9 17.9 13 13 A I E -ab 36 74A 0 22,-2.6 24,-2.6 -2,-0.4 2,-0.8 -0.967 12.9-147.9-124.2 125.2 -13.9 4.1 14.2 14 14 A I E S+ab 37 75A 1 60,-2.1 62,-2.9 -2,-0.5 63,-2.2 -0.823 80.3 33.2 -89.8 110.6 -16.5 5.0 11.6 15 15 A G - 0 0 0 22,-3.1 23,-0.2 -2,-0.8 22,-0.1 0.296 65.8-147.3 108.6 121.6 -16.3 2.2 9.0 16 16 A G + 0 0 0 4,-0.1 29,-2.7 20,-0.1 30,-0.4 0.079 55.0 118.2-110.9 23.4 -15.5 -1.4 9.8 17 17 A G S > S- 0 0 12 27,-0.2 4,-2.2 26,-0.1 5,-0.1 0.063 87.4 -70.8 -70.2-169.1 -13.7 -2.6 6.7 18 18 A Q H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.780 131.8 56.3 -60.1 -30.7 -10.1 -3.9 6.6 19 19 A L H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 109.7 45.6 -70.0 -45.5 -8.6 -0.4 7.3 20 20 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.896 112.5 52.5 -56.2 -43.9 -10.6 -0.1 10.5 21 21 A R H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.925 111.1 45.1 -61.8 -46.1 -9.6 -3.7 11.4 22 22 A M H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.818 112.4 51.5 -70.2 -31.3 -5.9 -3.0 10.9 23 23 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.917 111.3 49.5 -62.7 -46.1 -6.2 0.3 12.9 24 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.836 108.6 51.4 -65.7 -36.5 -7.9 -1.6 15.7 25 25 A L H X S+ 0 0 4 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.899 111.6 47.0 -67.3 -41.1 -5.2 -4.3 15.8 26 26 A A H X S+ 0 0 18 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.911 112.9 50.2 -64.8 -42.0 -2.4 -1.7 16.0 27 27 A A H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.5 0.865 105.7 55.6 -64.6 -39.6 -4.4 0.1 18.8 28 28 A K H ><5S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.852 99.7 60.1 -63.0 -37.1 -4.9 -3.1 20.8 29 29 A E H 3<5S+ 0 0 40 -4,-1.4 686,-2.0 1,-0.3 -1,-0.2 0.844 107.5 47.9 -57.2 -31.9 -1.1 -3.8 20.9 30 30 A M T <<5S- 0 0 5 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.325 126.1-101.9 -95.2 4.7 -0.9 -0.4 22.7 31 31 A G T < 5S+ 0 0 10 -3,-1.7 -23,-1.1 684,-0.3 2,-0.2 0.708 70.4 144.8 87.3 22.6 -3.7 -1.2 25.1 32 32 A Y < - 0 0 3 -5,-2.2 2,-0.3 -25,-0.2 -1,-0.3 -0.637 45.3-129.2 -89.0 152.3 -6.6 0.8 23.6 33 33 A K E -a 10 0A 96 -24,-2.5 -22,-3.0 -2,-0.2 2,-0.4 -0.697 25.3-142.5 -90.2 150.8 -10.2 -0.2 23.6 34 34 A I E -a 11 0A 0 -2,-0.3 16,-2.0 -24,-0.2 17,-1.9 -0.962 19.3-178.9-125.2 132.8 -12.0 -0.2 20.2 35 35 A A E -ac 12 51A 0 -24,-2.4 -22,-2.6 -2,-0.4 2,-0.4 -0.977 14.6-167.6-121.5 140.3 -15.6 0.8 19.2 36 36 A V E -ac 13 52A 1 15,-2.4 17,-3.2 -2,-0.4 2,-0.4 -0.988 16.1-158.6-134.1 141.4 -16.8 0.6 15.6 37 37 A L E +ac 14 53A 0 -24,-2.6 -22,-3.1 -2,-0.4 17,-0.2 -0.974 29.5 149.5-113.4 130.2 -19.7 1.8 13.6 38 38 A D E - c 0 54A 18 15,-2.0 17,-1.3 -2,-0.4 5,-0.1 -0.975 51.3-123.0-157.8 145.2 -20.5 -0.1 10.3 39 39 A P S S+ 0 0 57 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.708 94.8 61.9 -64.8 -21.9 -23.7 -0.9 8.3 40 40 A T S > S- 0 0 93 15,-0.1 3,-0.6 -3,-0.0 15,-0.1 -0.889 84.5-120.5-114.8 138.5 -23.1 -4.6 8.4 41 41 A K T 3 S+ 0 0 155 -2,-0.4 12,-0.0 1,-0.2 -1,-0.0 -0.378 93.8 21.3 -68.1 148.8 -22.9 -6.9 11.5 42 42 A N T 3 S+ 0 0 54 1,-0.1 -1,-0.2 -2,-0.1 5,-0.1 0.835 84.1 175.8 61.2 37.5 -19.6 -8.9 12.1 43 43 A S <> - 0 0 7 -3,-0.6 4,-1.8 1,-0.1 -26,-0.1 -0.233 48.0 -98.6 -66.8 160.7 -17.5 -6.5 9.9 44 44 A P T 4 S+ 0 0 14 0, 0.0 -27,-0.2 0, 0.0 4,-0.1 0.873 127.8 43.2 -45.8 -43.0 -13.7 -7.1 9.7 45 45 A C T >> S+ 0 0 0 -29,-2.7 3,-2.4 1,-0.2 4,-0.9 0.904 107.1 58.3 -74.0 -41.1 -13.2 -4.4 12.4 46 46 A A T 34 S+ 0 0 14 -30,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.807 95.2 67.6 -57.0 -28.4 -16.1 -5.6 14.6 47 47 A Q T 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.590 113.9 28.8 -67.7 -13.3 -14.2 -8.9 14.8 48 48 A V T <4 S+ 0 0 6 -3,-2.4 -1,-0.2 -4,-0.1 -2,-0.2 0.341 102.9 103.7-123.0 -1.9 -11.5 -7.1 16.8 49 49 A A < - 0 0 22 -4,-0.9 -14,-0.2 -3,-0.3 3,-0.1 -0.514 61.5-146.4 -88.1 152.1 -13.6 -4.4 18.4 50 50 A D S S+ 0 0 54 -16,-2.0 2,-0.4 1,-0.2 -15,-0.2 0.823 92.0 29.7 -77.4 -33.8 -14.8 -4.3 22.0 51 51 A I E -c 35 0A 54 -17,-1.9 -15,-2.4 2,-0.0 2,-0.5 -0.996 69.5-162.6-132.3 131.7 -18.1 -2.5 21.0 52 52 A E E -c 36 0A 80 -2,-0.4 2,-0.6 -17,-0.2 -15,-0.2 -0.961 2.6-170.1-116.1 125.5 -20.0 -2.8 17.7 53 53 A I E -c 37 0A 17 -17,-3.2 -15,-2.0 -2,-0.5 2,-0.8 -0.961 11.0-156.6-111.6 113.4 -22.7 -0.3 16.5 54 54 A V E +c 38 0A 74 -2,-0.6 2,-0.3 -17,-0.2 -13,-0.1 -0.817 43.5 109.4 -94.6 111.1 -24.6 -1.6 13.5 55 55 A A - 0 0 16 -17,-1.3 -15,-0.1 -2,-0.8 2,-0.1 -0.978 67.2 -75.4-167.4 167.3 -26.0 1.4 11.6 56 56 A S > - 0 0 64 -2,-0.3 3,-1.4 -17,-0.1 7,-0.2 -0.410 37.4-122.7 -72.5 151.6 -25.9 3.6 8.4 57 57 A Y T 3 S+ 0 0 41 1,-0.3 24,-0.3 -2,-0.1 -1,-0.1 0.698 113.8 51.5 -66.0 -22.0 -23.1 6.2 8.0 58 58 A D T 3 S+ 0 0 99 22,-0.1 2,-1.1 26,-0.0 -1,-0.3 0.391 80.0 109.4 -96.1 1.9 -25.8 8.9 7.6 59 59 A D <> - 0 0 64 -3,-1.4 4,-2.2 1,-0.2 3,-0.4 -0.681 50.3-170.0 -82.7 97.5 -27.6 7.9 10.9 60 60 A L H > S+ 0 0 30 -2,-1.1 4,-2.8 1,-0.2 5,-0.2 0.877 81.7 56.6 -63.4 -40.6 -26.7 10.8 13.2 61 61 A K H > S+ 0 0 167 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 110.2 45.5 -54.7 -45.1 -28.1 9.2 16.3 62 62 A A H > S+ 0 0 10 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.916 112.4 50.6 -64.9 -46.1 -25.8 6.1 15.8 63 63 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 110.7 50.4 -55.1 -43.0 -22.8 8.4 15.0 64 64 A Q H X S+ 0 0 46 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.884 108.1 52.5 -64.4 -41.2 -23.6 10.3 18.2 65 65 A H H X S+ 0 0 81 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.901 109.8 48.1 -61.6 -43.3 -23.8 7.0 20.2 66 66 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.932 113.1 48.7 -60.2 -46.3 -20.3 6.0 18.8 67 67 A A H >< S+ 0 0 8 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.902 104.8 59.4 -60.7 -45.0 -18.9 9.5 19.8 68 68 A E H 3< S+ 0 0 148 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.642 112.3 38.4 -56.7 -25.8 -20.5 9.3 23.3 69 69 A I T << S+ 0 0 55 -3,-0.9 2,-0.4 -4,-0.7 -1,-0.3 0.335 104.3 86.7-109.9 5.6 -18.5 6.2 24.2 70 70 A S < - 0 0 16 -3,-1.4 23,-0.3 -4,-0.4 -59,-0.2 -0.884 56.0-160.4-113.5 136.8 -15.3 7.2 22.4 71 71 A D S S+ 0 0 62 -61,-2.5 2,-0.3 -2,-0.4 -60,-0.2 0.742 91.3 10.9 -80.3 -25.4 -12.3 9.2 23.7 72 72 A V E S-b 11 0A 0 -62,-1.3 -60,-3.0 22,-0.1 2,-0.4 -0.973 73.8-149.5-151.2 142.6 -11.2 9.9 20.1 73 73 A V E +b 12 0A 1 20,-2.6 23,-0.4 -2,-0.3 2,-0.3 -0.955 19.7 165.8-118.5 134.4 -13.0 9.3 16.8 74 74 A T E -b 13 0A 0 -62,-2.6 -60,-2.1 -2,-0.4 2,-0.3 -0.777 20.5-137.1-131.7 179.3 -11.4 8.5 13.5 75 75 A Y E -b 14 0A 7 -2,-0.3 -60,-0.2 -62,-0.2 3,-0.1 -0.983 27.4-177.7-141.0 149.7 -12.8 7.1 10.2 76 76 A E S S+ 0 0 26 -62,-2.9 2,-0.5 -2,-0.3 -61,-0.2 0.534 81.8 75.6-105.1 -30.9 -12.0 4.6 7.5 77 77 A F - 0 0 60 -63,-2.2 3,-0.2 1,-0.1 -63,-0.1 -0.741 64.1-169.9 -87.1 125.1 -15.2 5.6 5.6 78 78 A E + 0 0 31 -2,-0.5 2,-1.3 1,-0.2 -1,-0.1 0.736 65.8 79.5 -89.2 -28.2 -14.7 9.0 3.9 79 79 A N + 0 0 114 26,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.183 55.5 147.6 -86.6 46.0 -18.2 10.0 2.7 80 80 A I - 0 0 10 -2,-1.3 -22,-0.1 -3,-0.2 -23,-0.0 -0.629 49.4-118.4 -74.0 133.8 -19.5 11.2 6.0 81 81 A D > - 0 0 60 -2,-0.3 4,-2.5 -24,-0.3 3,-0.3 -0.274 22.0-104.6 -77.1 166.1 -22.0 14.0 5.4 82 82 A Y H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.815 115.2 54.8 -60.8 -35.8 -21.5 17.6 6.6 83 83 A R H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.901 112.9 42.4 -69.5 -40.4 -24.1 17.5 9.4 84 84 A C H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.911 114.8 51.8 -66.4 -44.1 -22.5 14.4 11.0 85 85 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 111.0 46.3 -61.2 -44.2 -18.9 15.8 10.5 86 86 A Q H X S+ 0 0 132 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.919 112.0 51.3 -66.4 -41.2 -19.7 19.1 12.1 87 87 A W H X S+ 0 0 64 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.958 113.2 45.6 -58.7 -48.5 -21.4 17.4 15.0 88 88 A L H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 6,-0.2 0.912 112.3 50.4 -58.7 -46.7 -18.3 15.1 15.5 89 89 A E H < S+ 0 0 63 -4,-2.5 5,-0.3 1,-0.2 -1,-0.2 0.864 122.2 31.0 -64.0 -37.1 -15.8 18.0 15.2 90 90 A K H < S+ 0 0 138 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.801 131.1 29.7 -93.6 -30.1 -17.6 20.2 17.7 91 91 A H H < S+ 0 0 131 -4,-2.9 2,-0.2 -5,-0.3 -3,-0.2 0.395 121.5 37.2-118.6 -0.7 -19.2 17.8 20.2 92 92 A A S < S- 0 0 24 -4,-1.8 2,-0.8 -5,-0.3 -21,-0.1 -0.716 95.4 -90.9-129.4-176.2 -16.8 14.8 20.1 93 93 A Y + 0 0 30 -23,-0.3 -20,-2.6 -2,-0.2 -4,-0.1 -0.868 53.0 155.8-104.0 101.5 -13.0 14.5 19.8 94 94 A L > + 0 0 9 -2,-0.8 3,-1.9 -5,-0.3 -20,-0.1 -0.747 13.2 178.4-123.0 80.0 -12.2 14.3 16.1 95 95 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.712 76.1 66.6 -62.1 -21.4 -8.6 15.7 15.8 96 96 A Q T 3 S- 0 0 19 -23,-0.4 4,-0.4 1,-0.1 153,-0.3 0.762 93.7-157.4 -66.4 -27.7 -8.5 15.0 12.1 97 97 A G < - 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