==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-06 2CC2 . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR A.R.MCEWAN,H.DENG,R.P.MCGLINCHEY,D.R.ROBINSON,D.O'HAGAN, . 867 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 82 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.4 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 5 3 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 3 1 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 PARALLEL BRIDGES PER LADDER . 8 0 6 11 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 3 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 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 8 A R 0 0 223 0, 0.0 2,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 82.3 13.4 42.0 -0.8 2 9 A P - 0 0 33 0, 0.0 30,-1.8 0, 0.0 2,-0.4 -0.434 360.0-161.1 -79.3 145.9 15.7 41.9 -3.9 3 10 A I E -a 32 0A 11 28,-0.2 61,-2.3 59,-0.2 2,-0.5 -0.991 9.2-166.6-125.6 133.1 14.4 42.4 -7.4 4 11 A I E -ab 33 64A 0 28,-2.3 30,-2.7 -2,-0.4 2,-0.5 -0.993 11.4-155.5-111.4 124.4 15.9 41.3 -10.8 5 12 A A E -ab 34 65A 0 59,-2.9 61,-2.2 -2,-0.5 2,-0.5 -0.933 16.7-155.1-103.5 123.8 14.3 43.0 -13.8 6 13 A F E +ab 35 66A 0 28,-2.7 30,-3.1 -2,-0.5 31,-0.7 -0.863 20.8 171.8-119.6 117.1 15.0 40.7 -16.8 7 14 A M E +ab 37 67A 0 59,-2.6 61,-2.8 -2,-0.5 2,-0.2 -0.988 19.5 146.8-127.9 119.8 15.1 41.8 -20.5 8 15 A S E - b 0 68A 0 29,-1.8 32,-0.9 -2,-0.4 61,-0.2 -0.770 54.4-123.8-136.5-179.1 16.2 39.3 -23.2 9 16 A D S S+ 0 0 3 59,-0.6 29,-0.1 -2,-0.2 60,-0.1 0.082 80.8 106.3-109.3 18.1 15.8 38.2 -26.8 10 17 A L S S- 0 0 10 58,-0.2 3,-0.3 1,-0.1 4,-0.2 0.650 70.9-148.9 -74.3 -12.0 15.1 34.6 -25.7 11 18 A G - 0 0 8 27,-1.8 6,-0.3 1,-0.2 -1,-0.1 -0.072 21.2 -97.4 65.7-176.3 11.3 34.9 -26.5 12 19 A T S S+ 0 0 79 1,-0.1 318,-0.4 4,-0.1 319,-0.3 -0.006 94.4 97.3-126.5 29.2 8.5 33.1 -24.7 13 20 A T S S+ 0 0 45 -3,-0.3 2,-0.2 483,-0.1 -2,-0.1 0.589 89.5 19.7 -96.0 -12.1 8.0 30.1 -27.0 14 21 A D S S- 0 0 10 -4,-0.2 3,-0.4 314,-0.1 4,-0.3 -0.719 93.8 -82.2-139.5-165.5 10.2 27.6 -25.0 15 22 A D S > S+ 0 0 1 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.257 89.4 105.2 -88.1 11.5 11.8 26.9 -21.6 16 23 A S H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.933 82.8 42.1 -62.0 -49.4 14.8 29.2 -22.1 17 24 A V H > S+ 0 0 10 -3,-0.4 4,-2.4 -6,-0.3 -1,-0.2 0.892 112.6 55.2 -61.6 -41.2 13.7 32.1 -19.9 18 25 A A H > S+ 0 0 1 310,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.852 102.3 57.1 -63.5 -35.4 12.5 29.6 -17.2 19 26 A Q H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.934 108.9 45.9 -57.5 -47.4 15.9 28.0 -17.1 20 27 A C H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.927 113.2 49.6 -60.9 -47.7 17.4 31.4 -16.2 21 28 A K H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.809 105.8 56.3 -61.7 -38.6 14.7 32.1 -13.6 22 29 A G H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.931 110.7 45.0 -57.1 -48.5 15.2 28.7 -11.9 23 30 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.848 110.0 55.5 -64.4 -36.0 18.9 29.6 -11.5 24 31 A M H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 7,-0.2 0.939 112.1 41.4 -62.5 -48.7 18.0 33.1 -10.2 25 32 A Y H < S+ 0 0 30 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.762 113.1 56.7 -69.5 -26.9 15.7 31.7 -7.4 26 33 A S H < S+ 0 0 23 -4,-1.6 -2,-0.2 324,-0.3 -1,-0.2 0.936 115.6 35.2 -64.3 -48.9 18.3 29.0 -6.8 27 34 A I H < S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.822 129.9 31.7 -74.8 -41.3 21.0 31.6 -6.1 28 35 A C >< - 0 0 7 -4,-2.6 3,-2.5 -5,-0.2 -1,-0.2 -0.722 69.1-173.1-124.8 81.0 18.9 34.3 -4.4 29 36 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.705 84.2 46.4 -45.9 -34.9 16.1 32.5 -2.5 30 37 A D T 3 S+ 0 0 105 2,-0.1 -5,-0.1 -27,-0.0 134,-0.0 0.449 88.8 123.4 -89.1 -3.1 14.2 35.7 -1.6 31 38 A V < - 0 0 6 -3,-2.5 2,-0.4 -7,-0.2 -28,-0.2 -0.092 49.9-149.9 -66.0 154.7 14.4 37.3 -5.0 32 39 A T E -a 3 0A 42 -30,-1.8 -28,-2.3 2,-0.0 2,-0.6 -0.999 12.7-153.8-117.9 125.3 11.5 38.6 -7.2 33 40 A V E -a 4 0A 15 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.888 8.6-166.1-101.8 119.7 12.1 38.3 -11.0 34 41 A V E -a 5 0A 4 -30,-2.7 -28,-2.7 -2,-0.6 2,-0.4 -0.938 17.5-132.0-105.9 125.1 10.2 40.8 -13.0 35 42 A D E +a 6 0A 43 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.618 22.4 179.8 -70.9 123.3 9.9 40.3 -16.8 36 43 A V E - 0 0 8 -30,-3.1 566,-0.4 -2,-0.4 2,-0.3 0.903 65.1 -59.8 -79.6 -70.6 10.7 43.5 -18.7 37 44 A C E -a 7 0A 5 -31,-0.7 -29,-1.8 560,-0.1 -1,-0.2 -0.907 34.2-163.1-169.6 154.6 10.2 41.8 -22.1 38 45 A H S S+ 0 0 7 558,-0.4 -27,-1.8 -2,-0.3 559,-0.1 0.126 73.4 90.8-123.0 19.9 11.7 38.9 -24.1 39 46 A S + 0 0 54 557,-0.3 -30,-0.1 -28,-0.1 -1,-0.1 0.337 50.6 131.0-100.0 -1.3 10.3 39.9 -27.5 40 47 A M S S- 0 0 2 -32,-0.9 -29,-0.1 1,-0.1 3,-0.1 -0.142 71.8 -94.7 -60.6 152.0 13.1 42.1 -28.9 41 48 A T > - 0 0 76 3,-0.1 3,-1.7 1,-0.1 7,-0.2 -0.569 57.6-101.3 -59.6 117.2 14.3 41.6 -32.5 42 49 A P T 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.171 98.3 3.9 -45.6 130.6 17.3 39.2 -31.9 43 50 A W T 3 S+ 0 0 70 1,-0.2 2,-1.3 -3,-0.1 3,-0.1 0.405 89.9 127.8 77.6 1.0 20.8 41.0 -32.0 44 51 A D X> + 0 0 39 -3,-1.7 4,-2.1 1,-0.2 3,-0.5 -0.687 32.6 178.5 -90.5 87.1 19.3 44.5 -32.5 45 52 A V H 3> S+ 0 0 17 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.788 75.5 58.9 -66.3 -26.9 21.1 46.2 -29.6 46 53 A E H 3> S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.874 108.6 44.6 -69.0 -38.1 19.5 49.6 -30.4 47 54 A E H <> S+ 0 0 11 -3,-0.5 4,-1.0 2,-0.2 -2,-0.2 0.906 111.2 53.0 -70.2 -45.5 16.0 48.2 -29.9 48 55 A G H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.4 0.898 105.4 57.4 -53.3 -41.9 17.0 46.3 -26.7 49 56 A A H >X S+ 0 0 1 -4,-1.9 4,-2.1 1,-0.2 3,-1.3 0.870 100.2 55.2 -59.1 -44.6 18.4 49.7 -25.4 50 57 A R H 3< S+ 0 0 53 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.775 103.8 56.9 -59.9 -30.1 15.0 51.5 -25.8 51 58 A Y T << S+ 0 0 14 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.605 118.5 29.2 -76.6 -12.1 13.3 48.8 -23.6 52 59 A I T X4 S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.4 -2,-0.2 0.637 95.3 83.5-122.4 -22.8 15.7 49.3 -20.6 53 60 A V T 3< S+ 0 0 9 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.1 0.807 97.2 43.0 -58.8 -32.2 16.9 53.0 -20.7 54 61 A D T 3 S+ 0 0 24 -4,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.254 89.6 91.9-102.4 13.0 13.8 54.3 -18.8 55 62 A L X> + 0 0 0 -3,-1.6 3,-1.6 1,-0.2 4,-0.7 0.831 60.8 76.7 -82.7 -36.2 13.4 51.7 -16.1 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.858 91.0 53.8 -47.7 -50.5 15.3 52.9 -13.0 57 64 A R G 34 S+ 0 0 9 30,-0.5 40,-0.2 1,-0.3 46,-0.2 0.715 106.4 54.6 -63.5 -18.1 12.8 55.5 -11.7 58 65 A F G <4 S+ 0 0 1 -3,-1.6 552,-0.3 -4,-0.2 -1,-0.3 0.694 100.6 70.6 -85.3 -19.1 10.0 53.0 -11.7 59 66 A F S << S- 0 0 0 -3,-1.6 548,-0.1 -4,-0.7 3,-0.1 -0.634 89.1 -94.1-108.3 153.1 11.8 50.4 -9.5 60 67 A P > - 0 0 29 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.298 53.9 -93.0 -58.2 146.9 12.8 50.1 -5.8 61 68 A E T 3 S+ 0 0 97 1,-0.2 49,-0.2 -4,-0.1 48,-0.0 -0.334 113.6 40.3 -57.4 141.7 16.3 51.2 -5.0 62 69 A G T 3 S+ 0 0 58 47,-3.6 -1,-0.2 1,-0.3 -59,-0.2 0.290 80.7 146.4 95.7 -8.4 18.7 48.2 -5.1 63 70 A T < - 0 0 3 -3,-1.4 48,-1.6 46,-0.3 2,-0.4 -0.336 39.5-144.7 -62.1 137.4 17.1 46.6 -8.2 64 71 A V E -bc 4 111A 4 -61,-2.3 -59,-2.9 46,-0.2 2,-0.7 -0.915 5.5-148.7-101.0 133.3 19.4 44.7 -10.6 65 72 A F E -bc 5 112A 0 46,-3.3 48,-2.6 -2,-0.4 2,-0.8 -0.921 6.5-165.1-102.4 111.6 18.6 44.9 -14.3 66 73 A A E +bc 6 113A 0 -61,-2.2 -59,-2.6 -2,-0.7 2,-0.4 -0.872 20.0 172.3 -95.4 105.0 19.7 41.7 -16.2 67 74 A T E +b 7 0A 0 46,-2.0 2,-0.3 -2,-0.8 -59,-0.2 -0.966 3.6 168.1-125.4 123.0 19.6 42.8 -19.9 68 75 A T E +b 8 0A 0 -61,-2.8 -59,-0.6 -2,-0.4 2,-0.3 -0.961 32.8 153.5-152.2 124.5 20.8 40.6 -22.7 69 76 A T - 0 0 0 -2,-0.3 3,-0.2 -61,-0.2 50,-0.1 -0.943 30.9-172.7-126.0 127.4 21.1 40.0 -26.5 70 77 A Y > + 0 0 10 -2,-0.3 3,-1.7 1,-0.1 80,-0.2 -0.464 26.3 155.2-127.9 62.4 24.3 38.0 -26.9 71 78 A P T 3 S+ 0 0 35 0, 0.0 469,-0.2 0, 0.0 -1,-0.1 0.726 80.9 58.7 -60.4 -23.0 25.3 37.4 -30.5 72 79 A A T > S+ 0 0 36 -3,-0.2 3,-1.3 467,-0.1 5,-0.2 -0.016 79.7 150.7 -92.4 28.2 28.9 37.0 -29.3 73 80 A T T < + 0 0 9 -3,-1.7 467,-0.5 1,-0.2 466,-0.2 -0.291 61.4 21.0 -60.5 141.5 27.9 34.1 -27.0 74 81 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.590 99.3 112.7 76.3 12.1 30.6 31.5 -26.4 75 82 A T S < S- 0 0 39 -3,-1.3 -1,-0.3 72,-0.1 -3,-0.0 -0.409 87.3 -93.0-102.0-174.7 33.5 33.8 -27.3 76 83 A T S S+ 0 0 134 -2,-0.1 -3,-0.1 -3,-0.1 -2,-0.0 0.647 89.2 115.0 -76.1 -14.4 36.3 35.2 -25.1 77 84 A T - 0 0 42 -5,-0.2 2,-0.3 1,-0.1 -3,-0.1 -0.104 53.0-153.4 -49.8 149.1 34.1 38.4 -24.5 78 85 A R - 0 0 69 38,-0.1 38,-0.3 1,-0.0 58,-0.1 -0.977 17.0-103.4-132.7 151.0 32.9 39.0 -20.9 79 86 A S - 0 0 0 56,-0.5 56,-2.7 -2,-0.3 2,-0.4 -0.112 27.0-131.9 -68.5 161.1 29.9 40.9 -19.6 80 87 A V E -DE 114 134A 1 34,-2.7 34,-2.3 54,-0.2 2,-0.5 -0.952 13.2-163.0-113.3 135.2 30.0 44.3 -18.0 81 88 A A E -DE 113 133A 0 52,-2.7 52,-2.2 -2,-0.4 2,-0.4 -0.989 15.7-179.1-117.5 126.3 28.3 45.2 -14.7 82 89 A V E -DE 112 132A 0 30,-2.7 30,-2.5 -2,-0.5 2,-0.6 -0.974 27.0-145.0-129.2 137.6 27.8 48.9 -13.9 83 90 A R E -DE 111 131A 71 48,-2.0 47,-3.4 -2,-0.4 48,-1.0 -0.895 33.8-135.8 -92.6 120.4 26.3 50.9 -11.0 84 91 A I E - E 0 129A 0 26,-2.1 45,-0.3 -2,-0.6 26,-0.3 -0.223 4.3-142.2 -74.7 164.2 24.5 53.9 -12.5 85 92 A K S S+ 0 0 94 43,-1.3 23,-2.5 42,-0.3 2,-0.4 0.940 77.2 24.6 -88.3 -69.4 24.8 57.5 -11.2 86 93 A Q - 0 0 65 41,-3.1 -1,-0.3 21,-0.2 21,-0.1 -0.824 52.2-155.0-105.0 136.9 21.4 59.2 -11.6 87 94 A A - 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