==== 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 22-OCT-05 2C4U . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR A.R.MCEWAN,H.DENG,D.A.ROBINSON,W.DELAURENTIS,R.P.MCGLINCHEY, . 1746 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1204 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 338 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 176 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.5 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 7 7 5 7 6 3 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 1 5 7 6 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 . 18 0 13 19 16 6 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 5 7 6 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 0 222 0, 0.0 2,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -70.9 -71.2 -7.0 15.0 2 9 A P - 0 0 38 0, 0.0 30,-1.7 0, 0.0 2,-0.4 -0.321 360.0-173.7 -80.1 133.2 -68.8 -7.5 12.1 3 10 A I E -a 32 0A 9 28,-0.2 61,-2.5 -2,-0.1 2,-0.5 -0.931 15.5-169.6-124.5 137.3 -65.0 -7.7 12.7 4 11 A I E -ab 33 64A 0 28,-2.4 30,-2.6 -2,-0.4 2,-0.5 -0.998 11.1-158.2-119.6 126.5 -61.9 -7.9 10.5 5 12 A A E -ab 34 65A 0 59,-2.8 61,-2.2 -2,-0.5 2,-0.5 -0.939 15.9-157.6-105.0 125.5 -58.6 -8.8 12.2 6 13 A F E +ab 35 66A 0 28,-2.5 30,-2.6 -2,-0.5 2,-0.4 -0.865 20.0 171.3-119.8 124.5 -55.7 -7.6 10.1 7 14 A M E + b 0 67A 0 59,-2.5 61,-3.2 -2,-0.5 2,-0.3 -0.999 19.3 150.8-130.7 126.9 -52.1 -8.9 10.1 8 15 A S E - b 0 68A 0 29,-1.6 32,-0.8 -2,-0.4 61,-0.2 -0.864 53.3-123.3-145.9 177.1 -49.6 -7.7 7.4 9 16 A D S S+ 0 0 3 59,-0.7 29,-0.1 -2,-0.3 60,-0.1 0.109 78.1 110.6-105.4 17.7 -46.0 -7.0 6.6 10 17 A L S S- 0 0 7 58,-0.2 3,-0.3 1,-0.2 6,-0.2 0.635 72.0-136.6 -73.7 -17.0 -46.8 -3.4 5.6 11 18 A G - 0 0 9 27,-2.3 6,-0.3 -3,-0.2 3,-0.2 -0.091 14.1 -98.6 85.1 175.0 -45.1 -1.8 8.6 12 19 A T S S+ 0 0 76 1,-0.1 318,-0.5 4,-0.1 319,-0.3 0.163 98.1 81.8-118.8 19.4 -46.2 1.0 10.8 13 20 A T S S+ 0 0 44 -3,-0.3 2,-0.2 316,-0.1 316,-0.1 0.245 91.4 26.4-116.2 12.5 -44.3 4.0 9.3 14 21 A D S S- 0 0 14 314,-0.2 4,-0.3 -3,-0.2 3,-0.2 -0.737 92.3 -80.7-151.5-159.4 -46.4 5.0 6.3 15 22 A D S > S+ 0 0 4 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.417 87.4 105.6-100.1 1.5 -49.9 5.1 4.9 16 23 A S H > S+ 0 0 7 1,-0.2 4,-1.3 -6,-0.2 3,-0.3 0.892 84.0 41.7 -46.4 -58.4 -50.1 1.5 3.6 17 24 A V H > S+ 0 0 16 -6,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.877 112.3 54.9 -62.1 -41.0 -52.4 0.0 6.3 18 25 A A H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.836 103.0 56.6 -65.2 -31.5 -54.7 3.1 6.3 19 26 A Q H X S+ 0 0 1 -4,-2.1 4,-1.0 -3,-0.3 -1,-0.2 0.903 111.9 43.2 -63.0 -42.2 -55.3 2.7 2.6 20 27 A C H >X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 3,-0.7 0.941 112.5 51.7 -61.7 -52.7 -56.5 -0.8 3.3 21 28 A K H 3X S+ 0 0 16 -4,-3.0 4,-2.2 1,-0.3 5,-0.2 0.899 107.2 53.5 -59.0 -41.7 -58.5 0.2 6.4 22 29 A G H 3X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.3 0.811 108.1 49.8 -60.1 -34.4 -60.3 2.9 4.4 23 30 A L H < - 0 0 7 -4,-2.6 3,-2.4 -5,-0.2 -1,-0.2 -0.749 66.0-177.3-135.0 83.1 -68.5 -2.6 5.2 29 36 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.744 82.8 53.9 -63.4 -26.1 -69.4 0.7 7.0 30 37 A D T 3 S+ 0 0 118 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.364 85.4 124.3 -80.6 -1.2 -70.3 -1.1 10.3 31 38 A V < - 0 0 9 -3,-2.4 2,-0.5 -7,-0.2 -28,-0.2 -0.161 50.9-149.6 -70.8 156.2 -67.0 -3.0 10.5 32 39 A T E -a 3 0A 38 -30,-1.7 -28,-2.4 -31,-0.1 2,-0.6 -0.999 13.7-153.4-118.9 126.1 -64.6 -3.0 13.3 33 40 A V E -a 4 0A 17 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.916 8.1-166.9-105.8 121.8 -61.0 -3.4 12.3 34 41 A V E -a 5 0A 2 -30,-2.6 -28,-2.5 -2,-0.6 2,-0.3 -0.919 15.2-137.9-105.2 120.5 -58.6 -4.9 14.9 35 42 A D E +a 6 0A 43 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.575 20.2 179.4 -68.8 133.6 -54.9 -4.7 14.3 36 43 A V - 0 0 12 -30,-2.6 2,-0.3 1,-0.3 566,-0.3 0.772 64.1 -53.0 -91.9 -82.9 -53.0 -7.8 15.1 37 44 A C - 0 0 5 -31,-0.3 -29,-1.6 560,-0.1 -1,-0.3 -0.964 39.5-167.0-148.2 162.6 -49.5 -6.7 14.1 38 45 A H S S+ 0 0 12 558,-0.5 -27,-2.3 -2,-0.3 559,-0.1 0.183 70.8 82.3-128.3 14.6 -47.9 -5.1 11.0 39 46 A S + 0 0 47 557,-0.3 -30,-0.1 -29,-0.1 558,-0.1 0.207 51.8 135.2-114.3 19.1 -44.2 -5.5 11.7 40 47 A M S S- 0 0 2 -32,-0.8 5,-0.1 1,-0.1 3,-0.1 -0.160 71.2 -86.0 -58.0 160.0 -43.3 -9.0 10.7 41 48 A T > - 0 0 76 3,-0.2 3,-2.0 1,-0.1 7,-0.2 -0.576 56.5-103.9 -66.9 124.4 -40.1 -9.6 8.7 42 49 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.223 102.0 8.6 -52.3 140.1 -41.2 -9.1 5.0 43 50 A W T 3 S+ 0 0 77 1,-0.1 2,-1.0 -3,-0.1 3,-0.2 0.512 92.2 124.7 67.9 9.1 -41.5 -12.4 3.1 44 51 A D X> + 0 0 39 -3,-2.0 4,-1.8 1,-0.2 3,-0.9 -0.653 29.8 171.3-102.3 79.1 -41.1 -14.5 6.3 45 52 A V H 3> S+ 0 0 18 -2,-1.0 4,-2.3 1,-0.3 -1,-0.2 0.769 73.3 59.7 -62.1 -31.8 -44.2 -16.6 6.2 46 53 A E H 3> S+ 0 0 90 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.875 108.7 45.9 -61.9 -37.6 -43.2 -18.9 9.2 47 54 A E H <> S+ 0 0 15 -3,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.898 112.1 50.7 -71.8 -41.0 -43.1 -15.8 11.4 48 55 A G H < S+ 0 0 0 -4,-1.8 3,-0.4 1,-0.2 4,-0.2 0.842 104.8 56.8 -65.1 -36.8 -46.4 -14.5 10.0 49 56 A A H >X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-1.6 0.873 100.0 60.8 -61.4 -38.2 -48.1 -17.8 10.7 50 57 A R H 3< S+ 0 0 56 -4,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.854 101.3 52.5 -58.6 -35.0 -47.0 -17.6 14.4 51 58 A Y T 3< S+ 0 0 17 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.463 119.0 33.4 -81.8 -2.0 -49.0 -14.3 14.9 52 59 A I T X4 S+ 0 0 0 -3,-1.6 3,-1.0 -4,-0.2 -2,-0.2 0.552 91.3 84.5-129.6 -13.3 -52.3 -15.8 13.5 53 60 A V T 3< S+ 0 0 12 -4,-1.6 -3,-0.1 1,-0.2 -2,-0.1 0.915 99.2 39.0 -64.7 -43.8 -52.5 -19.5 14.4 54 61 A D T 3 S+ 0 0 28 -4,-0.4 4,-0.4 1,-0.2 -1,-0.2 0.265 90.6 100.6 -89.7 8.8 -54.0 -19.0 17.9 55 62 A L X + 0 0 0 -3,-1.0 3,-1.8 1,-0.2 4,-0.4 0.944 62.2 68.1 -61.9 -50.7 -56.2 -16.1 16.9 56 63 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.744 89.5 57.5 -51.4 -43.9 -59.8 -17.7 16.6 57 64 A R G 3 S+ 0 0 10 1,-0.2 40,-0.3 -3,-0.2 46,-0.2 0.793 104.8 56.2 -61.5 -22.0 -60.7 -18.7 20.1 58 65 A F G < S+ 0 0 0 -3,-1.8 552,-0.3 -4,-0.4 -1,-0.2 0.686 98.1 70.3 -82.1 -17.2 -60.3 -15.0 21.2 59 66 A F S < S- 0 0 0 -3,-1.3 3,-0.1 -4,-0.4 548,-0.1 -0.714 88.0 -96.4-108.0 150.9 -62.8 -13.3 18.7 60 67 A P > - 0 0 28 0, 0.0 3,-1.4 0, 0.0 -57,-0.1 -0.270 56.3 -87.1 -57.9 147.8 -66.5 -13.3 18.3 61 68 A E T 3 S+ 0 0 99 1,-0.2 49,-0.1 -4,-0.1 3,-0.1 -0.223 113.6 37.0 -53.0 139.6 -67.9 -15.8 15.9 62 69 A G T 3 S+ 0 0 52 47,-2.7 -1,-0.2 1,-0.3 48,-0.1 0.233 81.3 146.9 97.9 -12.4 -68.1 -14.6 12.2 63 70 A T < - 0 0 2 -3,-1.4 48,-1.5 46,-0.1 2,-0.5 -0.229 40.1-140.1 -56.9 143.6 -64.8 -12.7 12.5 64 71 A V E -bc 4 111A 2 -61,-2.5 -59,-2.8 46,-0.2 2,-0.8 -0.936 3.4-147.3-112.5 128.3 -62.7 -12.5 9.4 65 72 A F E -bc 5 112A 0 46,-3.7 48,-2.7 -2,-0.5 2,-0.8 -0.858 9.2-169.3 -98.2 107.8 -58.9 -12.8 9.5 66 73 A A E +bc 6 113A 0 -61,-2.2 -59,-2.5 -2,-0.8 2,-0.5 -0.864 19.3 171.4 -92.2 106.0 -57.2 -10.7 6.8 67 74 A T E +b 7 0A 0 46,-2.4 2,-0.4 -2,-0.8 -59,-0.2 -0.967 5.4 171.2-131.7 118.0 -53.6 -12.0 6.9 68 75 A T E +b 8 0A 0 -61,-3.2 -59,-0.7 -2,-0.5 2,-0.3 -0.971 34.1 149.2-147.8 134.2 -51.0 -11.0 4.4 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.906 29.8-167.9-138.3 120.9 -47.4 -10.9 3.2 70 77 A Y > + 0 0 15 -2,-0.3 3,-1.8 1,-0.2 80,-0.2 -0.500 24.6 159.0-117.6 67.2 -47.5 -11.0 -0.6 71 78 A P T 3 S+ 0 0 32 0, 0.0 493,-0.2 0, 0.0 -1,-0.2 0.815 80.3 55.6 -52.1 -27.6 -44.0 -11.7 -2.1 72 79 A A T > S+ 0 0 38 -3,-0.2 3,-1.3 467,-0.1 5,-0.3 0.089 77.0 154.2 -97.7 24.0 -45.7 -12.8 -5.4 73 80 A T T < + 0 0 6 -3,-1.8 467,-0.6 1,-0.2 466,-0.2 -0.173 61.4 25.0 -51.9 140.8 -47.7 -9.5 -5.9 74 81 A G T 3 S+ 0 0 24 1,-0.2 -1,-0.2 72,-0.2 74,-0.1 0.456 101.5 102.3 83.2 3.6 -48.6 -8.8 -9.6 75 82 A T S < S- 0 0 39 -3,-1.3 -1,-0.2 2,-0.1 -3,-0.0 -0.180 90.5 -84.7-103.8-166.1 -48.5 -12.4 -10.9 76 83 A T S S+ 0 0 133 -3,-0.1 -3,-0.1 -2,-0.1 2,-0.0 0.580 89.7 111.2 -78.5 -13.2 -51.2 -15.1 -11.7 77 84 A T - 0 0 40 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.291 50.6-161.3 -66.3 146.0 -51.4 -16.3 -8.1 78 85 A R - 0 0 54 38,-0.1 38,-0.7 1,-0.0 58,-0.1 -0.859 20.7-100.5-126.9 160.1 -54.6 -15.6 -6.1 79 86 A S E -D 115 0A 0 56,-0.5 56,-2.9 -2,-0.3 2,-0.4 -0.320 29.8-134.8 -72.0 161.5 -55.6 -15.5 -2.5 80 87 A V E -DE 114 134A 3 34,-3.0 34,-1.8 54,-0.2 2,-0.5 -0.964 9.8-157.3-118.4 135.3 -57.4 -18.4 -0.8 81 88 A A E -DE 113 133A 0 52,-2.9 52,-2.1 -2,-0.4 2,-0.4 -0.974 18.0-175.9-116.2 124.5 -60.4 -17.8 1.5 82 89 A V E -DE 112 132A 0 30,-2.8 30,-2.4 -2,-0.5 2,-0.7 -0.963 26.9-147.6-126.6 133.4 -61.0 -20.6 4.0 83 90 A R E -DE 111 131A 71 48,-1.9 47,-2.6 -2,-0.4 48,-1.0 -0.902 33.3-144.0 -91.4 114.9 -63.7 -21.3 6.6 84 91 A I E - E 0 129A 0 26,-1.7 26,-0.4 -2,-0.7 45,-0.3 -0.213 0.6-136.9 -77.1 172.2 -61.8 -23.2 9.4 85 92 A K S S+ 0 0 94 43,-1.0 23,-2.7 42,-0.7 24,-0.4 0.887 71.7 18.9 -96.0 -80.0 -63.3 -26.0 11.4 86 93 A Q - 0 0 67 41,-2.2 2,-1.7 21,-0.2 -1,-0.3 -0.783 58.5-136.8 -98.9 134.3 -62.6 -25.9 15.2 87 94 A A - 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