==== 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 22-OCT-05 2C4T . 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, J.H . 876 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 19.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 89 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 13.2 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 6 2 4 3 3 0 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 . 4 2 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 . 9 0 6 12 6 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 0 218 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 57.9 13.0 41.9 -0.6 2 9 A P - 0 0 35 0, 0.0 30,-2.6 0, 0.0 2,-0.4 -0.170 360.0-155.5 -66.9 149.8 15.4 41.9 -3.7 3 10 A I E -a 32 0A 10 28,-0.2 61,-2.3 59,-0.1 2,-0.5 -0.968 10.4-168.5-123.2 135.6 14.2 42.4 -7.3 4 11 A I E -ab 33 64A 0 28,-2.4 30,-2.6 -2,-0.4 2,-0.5 -0.995 12.0-155.7-116.6 124.1 15.8 41.4 -10.7 5 12 A A E -ab 34 65A 0 59,-2.7 61,-2.7 -2,-0.5 2,-0.6 -0.886 15.4-154.2-100.2 123.4 14.2 42.9 -13.8 6 13 A F E +ab 35 66A 0 28,-2.7 30,-2.4 -2,-0.5 31,-0.6 -0.869 20.1 172.7-116.6 111.9 14.9 40.6 -16.7 7 14 A M E +ab 37 67A 0 59,-2.9 61,-3.2 -2,-0.6 2,-0.2 -0.978 21.3 147.3-116.6 121.0 15.0 41.8 -20.4 8 15 A S E - b 0 68A 0 29,-1.8 32,-0.7 -2,-0.5 61,-0.2 -0.825 55.9-124.6-139.7-179.8 16.2 39.3 -23.0 9 16 A D S S+ 0 0 0 59,-0.9 29,-0.1 -2,-0.2 60,-0.1 -0.006 80.0 107.6-109.6 24.0 15.8 38.1 -26.6 10 17 A L S S- 0 0 0 58,-0.2 3,-0.3 1,-0.2 6,-0.2 0.705 71.3-144.3 -77.7 -22.5 15.1 34.6 -25.4 11 18 A G - 0 0 8 27,-1.7 6,-0.3 1,-0.2 -1,-0.2 -0.201 18.2-102.3 81.3-179.1 11.4 34.7 -26.3 12 19 A T S S+ 0 0 87 4,-0.1 318,-0.4 5,-0.1 319,-0.3 -0.009 93.7 97.3-127.6 26.0 8.6 33.1 -24.4 13 20 A T S S+ 0 0 48 -3,-0.3 2,-0.2 483,-0.1 316,-0.1 0.505 90.2 14.0-100.2 -7.5 8.1 30.1 -26.7 14 21 A D S S- 0 0 10 314,-0.2 3,-0.4 -4,-0.2 4,-0.3 -0.751 96.3 -76.8-144.5-162.7 10.2 27.5 -24.8 15 22 A D S > S+ 0 0 0 -2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.331 88.8 108.1 -87.4 7.7 11.8 27.0 -21.3 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.870 83.6 41.3 -54.2 -45.0 14.8 29.3 -21.9 17 24 A V H > S+ 0 0 9 -3,-0.4 4,-2.7 -6,-0.3 -1,-0.2 0.927 112.4 55.8 -69.9 -44.8 13.6 32.1 -19.5 18 25 A A H > S+ 0 0 0 310,-0.4 4,-2.7 -4,-0.3 -2,-0.2 0.808 103.9 54.7 -51.8 -38.2 12.4 29.6 -16.9 19 26 A Q H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.916 110.3 46.2 -65.5 -42.5 15.9 28.0 -16.8 20 27 A C H X S+ 0 0 0 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.927 113.4 48.7 -62.5 -48.1 17.4 31.4 -16.0 21 28 A K H X S+ 0 0 16 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.932 107.1 54.8 -59.9 -50.6 14.7 32.1 -13.4 22 29 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.905 110.7 46.8 -47.5 -48.1 15.2 28.7 -11.6 23 30 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.839 110.9 52.0 -65.3 -33.8 18.9 29.6 -11.3 24 31 A M H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.890 111.6 45.8 -69.9 -42.8 18.1 33.1 -10.0 25 32 A Y H < S+ 0 0 25 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.789 112.0 54.5 -64.7 -31.2 15.7 31.6 -7.3 26 33 A S H < S+ 0 0 25 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.952 116.6 34.6 -65.9 -51.0 18.5 29.1 -6.6 27 34 A I H < S+ 0 0 25 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.902 131.0 31.9 -70.6 -44.8 21.1 31.8 -6.0 28 35 A C >< - 0 0 6 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.3 -0.792 65.9-178.9-120.9 86.6 18.8 34.4 -4.4 29 36 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.770 83.4 50.7 -56.0 -30.8 16.0 32.6 -2.5 30 37 A D T 3 S+ 0 0 120 2,-0.1 2,-0.1 -27,-0.0 -5,-0.1 0.381 88.6 121.4 -88.1 3.6 14.3 35.9 -1.4 31 38 A V < - 0 0 6 -3,-1.8 2,-0.5 -7,-0.2 -28,-0.2 -0.336 51.3-151.5 -77.9 145.2 14.2 37.4 -5.0 32 39 A T E -a 3 0A 41 -30,-2.6 -28,-2.4 -2,-0.1 2,-0.6 -0.974 15.2-152.1-104.4 125.3 11.3 38.6 -7.1 33 40 A V E -a 4 0A 15 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.904 10.2-165.1-100.6 118.0 12.0 38.2 -10.8 34 41 A V E -a 5 0A 3 -30,-2.6 -28,-2.7 -2,-0.6 2,-0.4 -0.916 15.2-134.9-104.1 120.7 10.1 40.7 -12.9 35 42 A D E +a 6 0A 38 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.645 21.8 179.6 -73.3 125.7 9.8 40.1 -16.6 36 43 A V E - 0 0 8 -30,-2.4 566,-0.3 -2,-0.4 2,-0.3 0.889 63.4 -60.3 -81.7 -74.4 10.5 43.3 -18.6 37 44 A C E -a 7 0A 4 -31,-0.6 -29,-1.8 560,-0.1 -1,-0.3 -0.945 35.2-162.7-167.5 159.2 10.0 41.6 -22.0 38 45 A H S S+ 0 0 6 558,-0.5 -27,-1.7 -2,-0.3 559,-0.1 0.224 72.8 86.2-128.3 15.4 11.6 38.8 -24.1 39 46 A S + 0 0 55 557,-0.4 -30,-0.1 -29,-0.1 558,-0.1 0.359 53.1 130.1-104.8 0.0 10.3 39.6 -27.5 40 47 A M S S- 0 0 1 -32,-0.7 3,-0.1 1,-0.1 -29,-0.1 -0.140 74.3 -89.2 -53.6 152.0 12.9 42.0 -28.8 41 48 A T > - 0 0 75 3,-0.1 3,-1.9 1,-0.1 7,-0.2 -0.543 54.9-107.5 -62.3 116.4 14.4 41.4 -32.2 42 49 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.187 98.9 10.4 -48.0 134.1 17.4 39.2 -31.5 43 50 A W T 3 S+ 0 0 54 1,-0.2 2,-1.1 -3,-0.1 3,-0.1 0.495 89.8 126.0 75.2 6.6 20.8 40.9 -31.9 44 51 A D <> + 0 0 37 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 -0.786 32.3 176.5 -94.9 90.1 19.2 44.4 -32.2 45 52 A V H > S+ 0 0 17 -2,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.825 76.7 56.5 -66.4 -32.1 21.1 46.2 -29.4 46 53 A E H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.877 110.1 43.6 -67.0 -40.4 19.4 49.5 -30.2 47 54 A E H > S+ 0 0 15 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.911 112.7 52.0 -69.6 -47.8 15.9 48.1 -29.7 48 55 A G H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 4,-0.4 0.877 106.3 56.1 -54.8 -42.2 16.9 46.2 -26.6 49 56 A A H >X S+ 0 0 1 -4,-2.1 4,-1.9 1,-0.2 3,-1.6 0.901 99.7 59.0 -56.5 -46.3 18.2 49.5 -25.2 50 57 A R H 3< S+ 0 0 53 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.816 104.3 52.2 -50.3 -34.8 14.8 51.2 -25.7 51 58 A Y T << S+ 0 0 24 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.545 117.6 34.9 -83.6 -9.5 13.2 48.6 -23.4 52 59 A I T X4 S+ 0 0 0 -3,-1.6 3,-0.9 -4,-0.4 -2,-0.2 0.616 96.4 76.8-117.9 -20.4 15.7 49.1 -20.5 53 60 A V T 3< S+ 0 0 9 -4,-1.9 -3,-0.1 1,-0.2 -2,-0.1 0.803 97.1 46.0 -69.1 -30.2 16.7 52.8 -20.5 54 61 A D T 3 S+ 0 0 29 -4,-0.4 3,-0.3 1,-0.2 4,-0.3 0.438 91.8 88.0 -94.0 -1.4 13.5 54.2 -18.9 55 62 A L X> + 0 0 0 -3,-0.9 3,-1.5 1,-0.2 4,-0.7 0.791 61.4 75.8 -75.3 -38.7 13.2 51.6 -16.1 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.812 90.7 55.2 -53.5 -41.1 15.2 52.8 -13.0 57 64 A R G 34 S+ 0 0 10 30,-0.5 40,-0.2 31,-0.3 46,-0.2 0.729 106.7 53.0 -66.1 -22.9 12.8 55.5 -11.6 58 65 A F G <4 S+ 0 0 0 -3,-1.5 552,-0.3 -4,-0.3 -1,-0.3 0.656 100.2 75.9 -81.8 -20.6 9.9 52.9 -11.5 59 66 A F S << S- 0 0 0 -3,-1.1 548,-0.1 -4,-0.7 3,-0.1 -0.618 87.2-100.8-101.0 153.5 11.8 50.3 -9.4 60 67 A P > - 0 0 28 0, 0.0 3,-1.5 0, 0.0 -57,-0.1 -0.356 52.8 -88.4 -64.4 150.7 12.7 50.1 -5.7 61 68 A E T 3 S+ 0 0 98 1,-0.2 49,-0.2 -4,-0.1 48,-0.1 -0.301 115.0 37.4 -60.9 141.3 16.3 51.1 -4.8 62 69 A G T 3 S+ 0 0 57 47,-3.2 -1,-0.2 1,-0.3 48,-0.1 0.327 81.4 146.6 95.2 -7.6 18.7 48.1 -5.0 63 70 A T < - 0 0 3 -3,-1.5 48,-1.5 46,-0.3 2,-0.4 -0.386 39.2-144.9 -62.6 136.0 17.0 46.6 -8.1 64 71 A V E -bc 4 111A 3 -61,-2.3 -59,-2.7 46,-0.2 2,-0.7 -0.902 4.5-148.9-102.8 132.8 19.3 44.7 -10.5 65 72 A F E -bc 5 112A 0 46,-3.2 48,-2.7 -2,-0.4 2,-0.7 -0.921 7.1-164.5-104.4 112.8 18.4 44.9 -14.3 66 73 A A E +bc 6 113A 0 -61,-2.7 -59,-2.9 -2,-0.7 2,-0.5 -0.894 18.5 174.3 -98.2 109.2 19.5 41.8 -16.1 67 74 A T E +b 7 0A 0 46,-2.2 2,-0.4 -2,-0.7 -59,-0.2 -0.969 2.7 170.7-129.8 118.9 19.4 42.8 -19.8 68 75 A T E +b 8 0A 0 -61,-3.2 -59,-0.9 -2,-0.5 2,-0.4 -0.953 31.9 150.2-149.3 122.2 20.6 40.6 -22.6 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.959 32.0-171.1-122.8 129.7 20.8 40.0 -26.3 70 77 A Y > + 0 0 2 -2,-0.4 3,-1.8 1,-0.1 80,-0.2 -0.441 28.6 153.3-128.9 65.1 24.0 37.9 -26.8 71 78 A P T 3 S+ 0 0 30 0, 0.0 469,-0.2 0, 0.0 493,-0.2 0.778 82.0 56.9 -60.1 -24.2 25.2 37.4 -30.4 72 79 A A T > S+ 0 0 35 -3,-0.2 3,-1.7 467,-0.1 5,-0.3 0.137 78.9 147.0 -92.6 21.0 28.8 37.0 -29.2 73 80 A T T < + 0 0 0 -3,-1.8 467,-0.5 1,-0.2 466,-0.2 -0.307 63.2 24.0 -57.4 136.1 27.8 34.2 -26.9 74 81 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.399 100.5 108.0 85.2 -1.0 30.5 31.6 -26.4 75 82 A T S < S- 0 0 37 -3,-1.7 -1,-0.3 72,-0.1 -3,-0.0 -0.383 89.9 -92.2 -96.8-179.4 33.4 33.9 -27.3 76 83 A T S S+ 0 0 134 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.586 88.1 117.5 -71.4 -11.7 36.0 35.4 -24.9 77 84 A T - 0 0 41 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.213 50.1-158.5 -52.5 146.1 33.8 38.5 -24.4 78 85 A R - 0 0 62 38,-0.1 38,-0.4 1,-0.0 58,-0.1 -0.953 19.1-100.9-130.1 151.1 32.6 39.1 -20.8 79 86 A S - 0 0 0 56,-0.5 56,-2.8 -2,-0.3 2,-0.4 -0.163 26.0-132.9 -65.3 159.0 29.7 41.0 -19.4 80 87 A V E -DE 114 134A 2 34,-2.8 34,-2.5 54,-0.2 2,-0.4 -0.923 13.4-160.9-107.8 140.0 29.9 44.5 -17.9 81 88 A A E -DE 113 133A 0 52,-2.4 52,-2.4 -2,-0.4 2,-0.4 -0.998 16.3-175.4-121.4 128.8 28.1 45.3 -14.6 82 89 A V E -DE 112 132A 0 30,-2.8 30,-2.2 -2,-0.4 2,-0.7 -0.963 27.4-146.8-130.9 136.3 27.5 48.9 -13.8 83 90 A R E -DE 111 131A 70 48,-2.2 47,-3.0 -2,-0.4 48,-1.1 -0.938 32.3-141.5 -96.9 115.0 26.1 51.0 -10.9 84 91 A I E - E 0 129A 0 26,-1.7 26,-0.4 -2,-0.7 45,-0.3 -0.287 2.6-143.6 -71.9 160.3 24.3 53.9 -12.6 85 92 A K S S+ 0 0 93 43,-0.8 23,-2.3 42,-0.8 2,-0.5 0.929 76.7 30.2 -90.8 -74.7 24.5 57.4 -11.1 86 93 A Q - 0 0 100 41,-2.7 -1,-0.3 21,-0.2 21,-0.1 -0.784 60.2-149.2 -96.1 128.1 21.1 59.3 -11.5 87 94 A A - 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