==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-JAN-11 3QFF . COMPND 2 MOLECULE: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHETAS . 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) . 30089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 71.2 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 . 144 19.1 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 . 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 . 1 0.1 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 . 58 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 0 3 0 0 2 10 3 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 . 3 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 0 145 0, 0.0 199,-0.0 0, 0.0 198,-0.0 0.000 360.0 360.0 360.0 163.6 -2.0 20.8 20.9 2 2 A T + 0 0 117 197,-0.1 2,-0.4 2,-0.0 198,-0.1 0.547 360.0 122.0 -94.4 -10.3 -1.4 19.2 24.3 3 3 A R - 0 0 126 196,-0.1 2,-0.4 1,-0.0 196,-0.1 -0.402 39.0-176.1 -69.1 115.6 -4.4 16.7 24.3 4 4 A I - 0 0 47 -2,-0.4 2,-0.7 195,-0.0 294,-0.2 -0.910 21.0-149.2-114.9 135.0 -3.3 13.1 24.6 5 5 A I - 0 0 12 292,-2.2 3,-0.1 -2,-0.4 292,-0.0 -0.903 28.3-146.4-103.3 106.1 -5.5 10.0 24.5 6 6 A L > - 0 0 48 -2,-0.7 3,-2.0 1,-0.1 696,-0.0 -0.326 24.4 -87.1 -76.7 150.0 -3.8 7.4 26.8 7 7 A P T 3 S+ 0 0 16 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.224 114.8 46.0 -44.4 137.4 -3.7 3.6 26.4 8 8 A G T 3 S+ 0 0 56 23,-0.8 24,-0.1 1,-0.5 23,-0.1 0.015 89.5 107.5 107.3 -24.5 -6.8 2.2 28.0 9 9 A K S < S- 0 0 87 -3,-2.0 24,-2.6 1,-0.1 -1,-0.5 -0.308 75.2-101.0 -78.1 170.8 -9.2 4.6 26.4 10 10 A T E -a 33 0A 13 22,-0.2 61,-2.2 -3,-0.1 62,-1.3 -0.820 23.5-157.2-100.6 126.5 -11.6 3.7 23.6 11 11 A I E -ab 34 72A 0 22,-3.1 24,-2.5 -2,-0.5 2,-0.5 -0.912 12.8-153.1 -98.4 124.1 -10.9 4.5 20.0 12 12 A G E -ab 35 73A 0 60,-2.8 62,-2.7 -2,-0.6 2,-0.5 -0.847 7.8-161.1-100.2 131.0 -14.1 4.6 17.9 13 13 A I E -ab 36 74A 0 22,-2.9 24,-2.4 -2,-0.5 2,-0.8 -0.941 12.5-146.9-118.8 126.2 -13.9 3.9 14.2 14 14 A I E S+ab 37 75A 0 60,-2.2 62,-3.2 -2,-0.5 63,-2.4 -0.826 79.8 31.6 -90.1 108.9 -16.5 4.8 11.5 15 15 A G - 0 0 0 22,-2.9 23,-0.2 -2,-0.8 22,-0.1 0.210 66.4-145.6 110.1 127.1 -16.4 2.0 9.0 16 16 A G + 0 0 0 4,-0.1 29,-3.0 20,-0.1 30,-0.4 0.074 55.9 115.8-115.0 22.3 -15.6 -1.6 9.8 17 17 A G S > S- 0 0 13 27,-0.2 4,-2.2 26,-0.2 3,-0.3 0.080 87.9 -68.8 -76.3-166.1 -13.7 -2.8 6.7 18 18 A Q H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.809 131.7 56.4 -62.9 -30.5 -10.1 -4.0 6.5 19 19 A L H > S+ 0 0 16 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.918 109.7 47.3 -68.7 -41.3 -8.6 -0.5 7.2 20 20 A G H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.911 111.2 51.1 -57.7 -47.9 -10.6 -0.4 10.4 21 21 A R H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 112.0 46.1 -59.0 -46.0 -9.5 -3.9 11.4 22 22 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.867 112.2 49.7 -69.2 -35.1 -5.9 -3.1 10.9 23 23 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.916 112.7 49.9 -60.5 -44.6 -6.1 0.2 12.8 24 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.863 107.8 51.2 -68.5 -37.0 -7.8 -1.7 15.5 25 25 A L H X S+ 0 0 4 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.902 112.1 47.8 -63.8 -41.2 -5.2 -4.4 15.7 26 26 A A H X S+ 0 0 11 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.887 112.4 49.1 -64.0 -42.5 -2.5 -1.8 16.0 27 27 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.4 0.864 106.0 57.0 -68.2 -36.4 -4.4 0.0 18.7 28 28 A K H ><5S+ 0 0 3 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.849 98.7 59.6 -65.2 -36.1 -4.9 -3.2 20.7 29 29 A E H 3<5S+ 0 0 68 -4,-1.4 686,-1.9 1,-0.3 -1,-0.2 0.858 107.2 48.1 -59.5 -33.4 -1.2 -3.8 20.9 30 30 A M T 3<5S- 0 0 6 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.278 126.3-103.4 -92.3 6.0 -0.9 -0.5 22.7 31 31 A G T < 5 + 0 0 10 -3,-1.7 -23,-0.8 684,-0.3 -3,-0.2 0.710 69.3 147.4 82.1 22.6 -3.8 -1.4 25.0 32 32 A Y < - 0 0 2 -5,-2.4 2,-0.3 -25,-0.2 -1,-0.3 -0.598 44.1-129.7 -82.6 150.9 -6.6 0.7 23.5 33 33 A K E -a 10 0A 86 -24,-2.6 -22,-3.1 -2,-0.2 2,-0.4 -0.722 25.5-141.7 -93.1 151.2 -10.2 -0.4 23.5 34 34 A I E -a 11 0A 0 -2,-0.3 16,-2.3 -24,-0.2 17,-2.1 -0.967 20.0-178.0-126.3 129.1 -12.1 -0.3 20.2 35 35 A A E -ac 12 51A 0 -24,-2.5 -22,-2.9 -2,-0.4 2,-0.4 -0.972 14.4-170.1-115.7 139.8 -15.6 0.6 19.2 36 36 A V E -ac 13 52A 1 15,-2.2 17,-2.9 -2,-0.4 2,-0.4 -0.978 14.5-157.4-130.9 143.8 -16.7 0.3 15.5 37 37 A L E +ac 14 53A 0 -24,-2.4 -22,-2.9 -2,-0.4 17,-0.2 -0.989 29.1 148.7-116.6 133.0 -19.8 1.5 13.6 38 38 A D E - c 0 54A 16 15,-2.1 17,-0.9 -2,-0.4 18,-0.1 -0.974 51.7-122.5-162.6 142.3 -20.6 -0.3 10.3 39 39 A P S S+ 0 0 59 0, 0.0 2,-0.4 0, 0.0 17,-0.1 0.715 95.3 61.5 -60.9 -26.6 -23.8 -1.2 8.3 40 40 A T S > S- 0 0 94 15,-0.1 3,-0.6 -3,-0.0 15,-0.1 -0.868 83.9-122.3-110.1 139.4 -23.0 -5.0 8.4 41 41 A K T 3 S+ 0 0 152 -2,-0.4 -1,-0.0 1,-0.2 12,-0.0 -0.378 92.8 21.8 -70.7 154.8 -22.7 -7.2 11.4 42 42 A N T 3 S+ 0 0 95 1,-0.1 -1,-0.2 -2,-0.1 5,-0.1 0.825 84.9 175.1 55.2 36.7 -19.5 -9.2 12.0 43 43 A S <> - 0 0 7 -3,-0.6 4,-1.5 1,-0.1 -26,-0.2 -0.155 48.4 -98.5 -61.6 164.1 -17.4 -6.8 9.9 44 44 A P T 4 S+ 0 0 13 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 0.897 127.2 44.4 -51.6 -41.1 -13.6 -7.3 9.6 45 45 A C T >> S+ 0 0 0 -29,-3.0 3,-2.3 1,-0.2 4,-0.7 0.921 107.3 57.6 -74.2 -40.7 -13.1 -4.5 12.3 46 46 A A T 34 S+ 0 0 14 -30,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.783 94.0 69.0 -56.7 -29.2 -15.9 -5.8 14.5 47 47 A Q T 3< S+ 0 0 24 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.613 113.0 29.8 -65.6 -12.8 -14.1 -9.1 14.7 48 48 A V T <4 S+ 0 0 6 -3,-2.3 -1,-0.2 -4,-0.1 -2,-0.2 0.340 102.8 104.4-122.8 1.1 -11.4 -7.3 16.7 49 49 A A < - 0 0 21 -4,-0.7 -14,-0.2 -3,-0.5 3,-0.1 -0.506 59.3-149.4 -90.8 153.8 -13.6 -4.7 18.4 50 50 A D S S+ 0 0 55 -16,-2.3 2,-0.4 1,-0.3 -15,-0.2 0.813 91.7 31.8 -82.2 -36.8 -14.8 -4.5 22.0 51 51 A I E -c 35 0A 50 -17,-2.1 -15,-2.2 2,-0.0 2,-0.4 -0.984 69.7-166.1-126.2 134.1 -18.0 -2.7 21.0 52 52 A E E -c 36 0A 75 -2,-0.4 2,-0.5 -17,-0.2 -15,-0.2 -0.980 3.9-170.2-121.3 124.7 -20.0 -3.1 17.7 53 53 A I E -c 37 0A 20 -17,-2.9 -15,-2.1 -2,-0.4 2,-0.9 -0.964 11.0-156.3-110.8 117.1 -22.7 -0.7 16.5 54 54 A V E +c 38 0A 71 -2,-0.5 2,-0.3 -17,-0.2 -13,-0.1 -0.816 44.1 115.0 -97.4 102.1 -24.5 -2.0 13.5 55 55 A A - 0 0 15 -2,-0.9 -15,-0.1 -17,-0.9 2,-0.1 -0.971 65.9 -79.6-157.1 166.6 -26.0 1.1 11.6 56 56 A S > - 0 0 65 -2,-0.3 3,-1.4 -17,-0.1 7,-0.2 -0.408 37.8-122.1 -68.9 150.2 -26.0 3.2 8.5 57 57 A Y T 3 S+ 0 0 42 1,-0.3 24,-0.3 -2,-0.1 -1,-0.1 0.652 113.5 51.0 -68.9 -16.1 -23.3 5.8 8.0 58 58 A D T 3 S+ 0 0 103 22,-0.1 2,-1.2 26,-0.0 -1,-0.3 0.325 78.6 110.9-101.4 5.4 -25.9 8.6 7.7 59 59 A D X> - 0 0 66 -3,-1.4 4,-2.3 1,-0.2 3,-0.5 -0.687 50.2-169.6 -83.6 94.2 -27.7 7.5 10.9 60 60 A L H 3> S+ 0 0 28 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.847 81.8 56.5 -60.2 -37.7 -26.9 10.5 13.1 61 61 A K H 3> S+ 0 0 161 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 110.3 45.0 -58.3 -43.0 -28.2 8.9 16.3 62 62 A A H <> S+ 0 0 9 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.922 111.6 51.7 -68.7 -44.6 -25.9 5.9 15.8 63 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 111.3 50.0 -53.5 -42.8 -22.9 8.2 15.0 64 64 A Q H X S+ 0 0 46 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.883 107.3 52.7 -64.1 -41.9 -23.8 10.0 18.3 65 65 A H H X S+ 0 0 83 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.909 110.1 48.4 -62.6 -42.6 -23.9 6.7 20.2 66 66 A L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.931 113.0 47.7 -59.4 -47.1 -20.4 5.8 18.9 67 67 A A H >< S+ 0 0 9 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.905 105.1 60.7 -61.7 -41.8 -19.1 9.2 19.8 68 68 A E H 3< S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.658 112.6 36.5 -58.0 -26.4 -20.6 9.0 23.3 69 69 A I T << S+ 0 0 51 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.302 104.0 87.3-112.7 7.1 -18.6 5.9 24.2 70 70 A S < - 0 0 17 -3,-1.4 23,-0.2 -4,-0.4 -59,-0.2 -0.897 55.1-160.6-113.1 136.4 -15.3 6.9 22.4 71 71 A D S S+ 0 0 61 -61,-2.2 2,-0.3 -2,-0.4 -60,-0.2 0.724 90.7 13.6 -80.7 -25.0 -12.4 9.0 23.7 72 72 A V E S-b 11 0A 0 -62,-1.3 -60,-2.8 22,-0.1 2,-0.4 -0.978 73.8-150.1-148.2 141.9 -11.3 9.7 20.2 73 73 A V E +b 12 0A 0 20,-2.7 23,-0.4 -2,-0.3 2,-0.3 -0.949 19.4 165.9-115.5 134.5 -13.1 9.1 16.9 74 74 A T E -b 13 0A 0 -62,-2.7 -60,-2.2 -2,-0.4 2,-0.3 -0.843 20.8-135.9-132.4 173.8 -11.5 8.3 13.5 75 75 A Y E +b 14 0A 4 -2,-0.3 -60,-0.2 -62,-0.2 3,-0.1 -0.977 28.7 177.4-134.7 148.5 -12.9 7.0 10.2 76 76 A E S S+ 0 0 26 -62,-3.2 2,-0.4 -2,-0.3 -61,-0.2 0.624 79.9 75.7-103.2 -39.9 -12.2 4.5 7.5 77 77 A F - 0 0 47 -63,-2.4 3,-0.2 1,-0.1 -63,-0.1 -0.617 64.1-171.0 -77.4 127.3 -15.4 5.4 5.6 78 78 A E + 0 0 20 -2,-0.4 2,-1.3 1,-0.2 -1,-0.1 0.737 65.0 78.9 -95.0 -27.1 -14.9 8.7 3.9 79 79 A N + 0 0 99 26,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.172 56.6 147.4 -86.1 45.7 -18.4 9.6 2.6 80 80 A I - 0 0 8 -2,-1.3 -22,-0.1 -3,-0.2 -23,-0.0 -0.639 49.6-119.7 -75.7 130.4 -19.7 10.9 5.9 81 81 A D >> - 0 0 63 -2,-0.3 4,-2.4 -24,-0.3 3,-0.5 -0.275 22.2-105.7 -73.9 163.3 -22.1 13.7 5.3 82 82 A Y H 3> S+ 0 0 164 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.836 114.8 56.7 -59.3 -38.7 -21.6 17.2 6.6 83 83 A R H 3> S+ 0 0 155 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 113.0 42.2 -63.1 -34.9 -24.2 17.2 9.4 84 84 A C H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.892 114.7 50.4 -76.2 -41.9 -22.5 14.1 11.0 85 85 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.917 112.3 46.8 -62.3 -44.3 -19.0 15.4 10.4 86 86 A Q H X S+ 0 0 133 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.909 110.8 52.8 -64.8 -41.7 -19.8 18.8 12.1 87 87 A W H X S+ 0 0 62 -4,-1.5 4,-3.2 -5,-0.3 5,-0.5 0.964 113.4 43.1 -57.4 -51.2 -21.5 17.0 15.0 88 88 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 6,-0.3 0.917 112.8 52.6 -58.6 -47.9 -18.4 14.8 15.6 89 89 A E H < S+ 0 0 59 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.866 122.2 29.4 -59.7 -37.4 -16.0 17.7 15.2 90 90 A K H < S+ 0 0 141 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.794 131.4 30.4 -98.1 -27.4 -17.7 19.9 17.7 91 91 A H H < S+ 0 0 131 -4,-3.2 2,-0.2 -5,-0.3 -3,-0.2 0.513 122.0 35.8-114.2 -8.6 -19.4 17.5 20.2 92 92 A A S < S- 0 0 25 -4,-2.0 2,-0.7 -5,-0.5 -21,-0.1 -0.606 96.5 -89.3-120.9-170.6 -16.9 14.5 20.1 93 93 A Y + 0 0 31 -23,-0.2 -20,-2.7 -2,-0.2 -4,-0.1 -0.877 52.6 156.6-108.2 99.2 -13.2 14.4 19.8 94 94 A L > + 0 0 9 -2,-0.7 3,-1.7 -5,-0.3 -20,-0.1 -0.768 12.0 177.8-120.8 79.4 -12.3 14.2 16.0 95 95 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.712 76.4 65.6 -59.8 -24.8 -8.7 15.5 15.8 96 96 A Q T 3 S- 0 0 19 -23,-0.4 4,-0.4 1,-0.1 153,-0.3 0.786 94.2-157.4 -65.3 -29.7 -8.6 14.9 12.0 97 97 A G < - 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