==== 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 09-JAN-06 2CBX . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR A.R.MCEWAN,C.D.CADICAMO,H.DENG,R.P.MCGLINCHEY,D.R.ROBINSON, . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 59 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 167 19.1 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 . 102 11.7 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 6 2 2 3 4 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 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 0 PARALLEL BRIDGES PER LADDER . 10 0 7 12 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 4 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 0 187 0, 0.0 30,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -26.2 12.9 41.0 -1.2 2 9 A P - 0 0 32 0, 0.0 30,-2.0 0, 0.0 2,-0.4 -0.422 360.0-152.5 -66.4 151.9 15.6 41.3 -3.9 3 10 A I E -a 32 0A 9 28,-0.2 61,-2.7 59,-0.2 2,-0.5 -0.989 15.1-167.6-131.0 132.7 14.3 41.7 -7.4 4 11 A I E -ab 33 64A 0 28,-2.4 30,-3.1 -2,-0.4 2,-0.5 -0.999 12.2-154.9-114.9 123.1 15.8 40.8 -10.7 5 12 A A E -ab 34 65A 0 59,-2.6 61,-2.8 -2,-0.5 2,-0.5 -0.900 17.1-152.5 -97.7 131.1 14.1 42.3 -13.7 6 13 A F E +ab 35 66A 0 28,-3.1 30,-3.1 -2,-0.5 2,-0.5 -0.917 21.3 173.1-122.2 114.9 14.8 40.0 -16.6 7 14 A M E + b 0 67A 0 59,-2.7 61,-3.1 -2,-0.5 2,-0.3 -0.990 19.9 149.6-121.6 121.8 14.9 41.1 -20.2 8 15 A S E - b 0 68A 0 29,-1.8 32,-0.8 -2,-0.5 61,-0.2 -0.865 55.3-126.4-141.7 173.2 16.0 38.6 -22.8 9 16 A D S S+ 0 0 4 59,-1.0 29,-0.1 -2,-0.3 60,-0.1 0.043 78.9 111.0-101.0 19.9 15.7 37.5 -26.4 10 17 A L S S- 0 0 8 58,-0.2 3,-0.3 1,-0.2 4,-0.2 0.574 72.1-138.7 -74.1 -11.8 14.9 34.0 -25.2 11 18 A G - 0 0 5 27,-2.7 6,-0.3 -3,-0.2 -1,-0.2 -0.053 15.1-100.8 77.7 177.1 11.3 34.0 -26.3 12 19 A T S S+ 0 0 69 1,-0.1 318,-0.5 4,-0.1 319,-0.4 -0.014 97.6 87.5-122.3 24.8 8.2 32.7 -24.4 13 20 A T S S+ 0 0 39 -3,-0.3 2,-0.2 483,-0.1 316,-0.1 0.548 89.8 20.9-110.4 -9.1 7.9 29.5 -26.4 14 21 A D S S- 0 0 9 -4,-0.2 3,-0.4 314,-0.2 4,-0.3 -0.746 92.9 -80.6-142.0-169.3 10.1 27.0 -24.5 15 22 A D S > S+ 0 0 1 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.272 89.5 106.8 -83.1 10.8 11.8 26.4 -21.1 16 23 A S H > S+ 0 0 9 1,-0.2 4,-1.6 -6,-0.2 -1,-0.2 0.940 85.0 39.7 -56.2 -55.0 14.7 28.8 -21.8 17 24 A V H > S+ 0 0 12 -3,-0.4 4,-2.7 -6,-0.3 -1,-0.2 0.869 113.6 56.5 -59.8 -38.1 13.6 31.6 -19.4 18 25 A A H > S+ 0 0 0 -4,-0.3 4,-2.9 310,-0.3 -2,-0.2 0.891 103.4 53.8 -65.8 -37.2 12.4 29.0 -16.9 19 26 A Q H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.920 110.8 47.1 -60.1 -43.3 15.9 27.5 -16.8 20 27 A C H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.915 113.5 47.3 -61.8 -49.9 17.2 30.9 -16.0 21 28 A K H X S+ 0 0 13 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.868 107.4 55.8 -60.1 -42.9 14.6 31.6 -13.3 22 29 A G H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.912 111.5 44.3 -58.2 -42.9 15.1 28.2 -11.7 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.856 111.4 54.5 -69.2 -35.1 18.8 29.0 -11.3 24 31 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.927 112.1 42.5 -64.4 -43.9 17.9 32.5 -10.1 25 32 A Y H < S+ 0 0 23 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.827 113.2 55.7 -70.0 -29.6 15.6 31.1 -7.4 26 33 A S H < S+ 0 0 17 -4,-1.8 -2,-0.2 324,-0.3 -1,-0.2 0.942 115.3 35.6 -64.0 -48.9 18.3 28.5 -6.7 27 34 A I H < S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.841 130.8 30.0 -74.7 -39.1 21.0 31.1 -6.1 28 35 A C S >< S- 0 0 5 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.3 -0.775 70.2-173.3-127.6 85.3 18.9 33.7 -4.4 29 36 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 83.2 47.7 -57.4 -28.3 16.1 31.9 -2.6 30 37 A D T 3 S+ 0 0 91 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.348 87.7 127.0 -89.8 2.9 14.2 35.1 -1.6 31 38 A V < - 0 0 7 -3,-2.3 2,-0.5 -7,-0.2 -28,-0.2 -0.186 50.2-149.3 -71.2 153.8 14.4 36.7 -5.0 32 39 A T E -a 3 0A 37 -30,-2.0 -28,-2.4 2,-0.0 2,-0.7 -0.997 13.8-153.2-113.7 122.7 11.5 38.0 -7.0 33 40 A V E -a 4 0A 13 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.904 10.0-166.7-101.6 118.6 12.1 37.6 -10.8 34 41 A V E -a 5 0A 2 -30,-3.1 -28,-3.1 -2,-0.7 2,-0.3 -0.924 14.3-137.9-106.6 118.1 10.2 40.2 -12.8 35 42 A D E -a 6 0A 34 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.552 19.9-179.3 -69.2 129.8 10.0 39.7 -16.5 36 43 A V - 0 0 9 -30,-3.1 566,-0.3 1,-0.3 2,-0.3 0.816 66.0 -57.5 -82.2 -77.6 10.5 42.8 -18.5 37 44 A C - 0 0 4 -31,-0.5 -29,-1.8 560,-0.1 -1,-0.3 -0.956 37.0-163.3-161.0 161.3 9.9 41.0 -21.9 38 45 A H S S+ 0 0 10 558,-0.5 -27,-2.7 -2,-0.3 559,-0.1 0.216 74.1 83.4-130.8 11.7 11.5 38.1 -23.7 39 46 A S + 0 0 47 557,-0.4 -30,-0.2 -29,-0.1 558,-0.1 0.209 54.5 134.5-107.3 11.9 10.2 38.7 -27.2 40 47 A M S S- 0 0 0 -32,-0.8 -29,-0.1 1,-0.2 3,-0.1 -0.219 73.4 -86.9 -59.7 152.7 12.8 41.3 -28.5 41 48 A T > - 0 0 73 3,-0.1 3,-2.0 1,-0.1 7,-0.2 -0.481 58.7-103.4 -58.0 121.0 14.2 40.7 -32.0 42 49 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.246 99.4 5.3 -52.5 135.1 17.1 38.4 -31.3 43 50 A W T 3 S+ 0 0 67 1,-0.2 2,-1.5 -3,-0.1 3,-0.2 0.418 89.1 130.1 75.3 2.9 20.5 40.2 -31.5 44 51 A D <> + 0 0 39 -3,-2.0 4,-2.3 1,-0.2 3,-0.3 -0.663 30.9 177.0 -91.1 88.3 18.9 43.6 -31.9 45 52 A V H > S+ 0 0 16 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.873 75.6 55.7 -64.9 -35.5 20.9 45.4 -29.2 46 53 A E H > S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.871 109.7 46.6 -64.9 -37.7 19.3 48.8 -29.9 47 54 A E H > S+ 0 0 14 -3,-0.3 4,-1.0 2,-0.2 3,-0.2 0.911 111.4 50.2 -71.7 -43.6 15.8 47.4 -29.5 48 55 A G H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.897 105.3 58.6 -57.9 -40.6 16.8 45.6 -26.3 49 56 A A H >X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 3,-1.3 0.869 100.5 56.9 -54.6 -41.9 18.2 48.9 -25.0 50 57 A R H 3< S+ 0 0 58 -4,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.807 104.5 53.1 -58.5 -34.5 14.8 50.5 -25.4 51 58 A Y T << S+ 0 0 27 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.556 119.4 30.9 -80.3 -9.8 13.2 47.9 -23.2 52 59 A I T X4 S+ 0 0 0 -3,-1.3 3,-0.9 -4,-0.5 -2,-0.2 0.565 95.5 81.1-125.2 -18.5 15.7 48.5 -20.3 53 60 A V T 3< S+ 0 0 9 -4,-1.9 -3,-0.1 1,-0.2 -2,-0.1 0.860 99.1 41.2 -65.0 -35.4 16.8 52.1 -20.3 54 61 A D T 3 S+ 0 0 28 -4,-0.4 4,-0.3 1,-0.2 3,-0.2 0.347 92.0 93.0 -96.2 4.6 13.7 53.5 -18.6 55 62 A L X> + 0 0 0 -3,-0.9 3,-1.6 1,-0.2 4,-0.7 0.847 62.9 73.1 -72.2 -40.2 13.4 50.8 -16.0 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.834 91.4 54.0 -51.6 -44.2 15.3 52.0 -12.9 57 64 A R G 34 S+ 0 0 7 30,-0.6 40,-0.3 31,-0.3 46,-0.2 0.746 106.6 55.1 -69.0 -19.0 12.9 54.6 -11.6 58 65 A F G <4 S+ 0 0 0 -3,-1.6 552,-0.3 -4,-0.3 -1,-0.3 0.701 100.3 73.7 -79.6 -18.6 10.1 52.1 -11.5 59 66 A F S << S- 0 0 0 -3,-1.6 548,-0.1 -4,-0.7 3,-0.1 -0.650 88.4-100.0-107.2 148.3 11.9 49.6 -9.4 60 67 A P > - 0 0 17 0, 0.0 3,-1.6 0, 0.0 -57,-0.1 -0.330 54.7 -89.6 -57.2 145.9 12.8 49.5 -5.7 61 68 A E T 3 S+ 0 0 94 1,-0.2 49,-0.2 -4,-0.1 3,-0.1 -0.258 115.0 38.8 -55.0 140.4 16.4 50.4 -5.0 62 69 A G T 3 S+ 0 0 50 47,-4.0 -1,-0.2 1,-0.3 -59,-0.2 0.289 80.1 146.8 97.8 -10.1 18.7 47.4 -5.1 63 70 A T < - 0 0 2 -3,-1.6 48,-1.6 46,-0.2 2,-0.4 -0.357 39.9-144.3 -60.3 135.8 16.9 45.9 -8.1 64 71 A V E -bc 4 111A 4 -61,-2.7 -59,-2.6 46,-0.2 2,-0.7 -0.904 5.1-149.0 -99.7 132.6 19.3 44.0 -10.5 65 72 A F E -bc 5 112A 0 46,-3.6 48,-2.7 -2,-0.4 2,-0.8 -0.918 6.9-165.5-104.6 112.4 18.5 44.2 -14.2 66 73 A A E +bc 6 113A 0 -61,-2.8 -59,-2.7 -2,-0.7 2,-0.5 -0.883 19.9 174.7 -96.9 105.7 19.5 41.1 -16.0 67 74 A T E +b 7 0A 0 46,-2.5 2,-0.4 -2,-0.8 -59,-0.2 -0.959 4.1 168.0-125.6 121.4 19.4 42.2 -19.6 68 75 A T E +b 8 0A 0 -61,-3.1 -59,-1.0 -2,-0.5 2,-0.4 -0.938 35.1 151.7-153.9 124.4 20.5 40.1 -22.4 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.960 31.7-170.4-125.4 131.1 20.7 39.3 -26.0 70 77 A Y > + 0 0 9 -2,-0.4 3,-1.8 1,-0.2 80,-0.2 -0.480 26.4 155.1-128.4 63.7 23.9 37.3 -26.4 71 78 A P T 3 S+ 0 0 29 0, 0.0 469,-0.2 0, 0.0 -1,-0.2 0.813 81.3 57.7 -57.3 -29.0 24.9 36.8 -30.1 72 79 A A T > S+ 0 0 33 -3,-0.2 3,-1.7 467,-0.1 5,-0.3 0.080 79.5 148.8 -89.7 23.3 28.5 36.4 -29.0 73 80 A T T < + 0 0 6 -3,-1.8 467,-0.6 1,-0.2 466,-0.2 -0.290 63.1 23.7 -54.3 136.7 27.5 33.5 -26.7 74 81 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 72,-0.2 74,-0.1 0.453 99.8 111.5 85.9 0.9 30.2 30.9 -26.3 75 82 A T S < S- 0 0 36 -3,-1.7 -1,-0.3 72,-0.1 -3,-0.0 -0.348 88.3 -96.4 -96.0-178.6 33.0 33.3 -27.1 76 83 A T S S+ 0 0 131 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.1 0.610 88.2 118.0 -76.0 -9.6 35.7 34.6 -24.8 77 84 A T - 0 0 39 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.199 51.6-155.8 -54.5 147.2 33.5 37.7 -24.3 78 85 A R - 0 0 61 38,-0.1 38,-0.3 36,-0.0 58,-0.1 -0.965 18.6-104.0-129.9 148.6 32.3 38.3 -20.8 79 86 A S - 0 0 0 56,-0.5 56,-3.1 -2,-0.3 2,-0.4 -0.152 28.0-130.0 -66.3 161.3 29.4 40.2 -19.5 80 87 A V E -DE 114 134A 1 34,-3.1 34,-2.4 54,-0.2 2,-0.4 -0.920 15.0-161.8-110.3 139.6 29.6 43.7 -18.0 81 88 A A E -DE 113 133A 0 52,-2.7 52,-2.4 -2,-0.4 2,-0.4 -0.995 16.4-179.4-123.6 125.8 28.0 44.5 -14.6 82 89 A V E -DE 112 132A 0 30,-2.9 30,-3.0 -2,-0.4 2,-0.7 -0.972 29.4-143.8-131.4 140.4 27.4 48.1 -13.8 83 90 A R E -DE 111 131A 65 48,-1.9 47,-3.2 -2,-0.4 48,-1.2 -0.924 33.4-140.4 -94.7 116.8 26.0 50.1 -11.0 84 91 A I E - E 0 129A 0 26,-1.9 26,-0.4 -2,-0.7 24,-0.4 -0.324 1.7-140.8 -74.8 161.3 24.3 53.0 -12.6 85 92 A K S S+ 0 0 82 43,-1.5 23,-2.5 42,-0.5 2,-0.4 0.944 76.9 26.7 -88.5 -75.7 24.5 56.5 -11.2 86 93 A Q - 0 0 62 41,-3.0 -1,-0.3 21,-0.2 21,-0.1 -0.776 56.6-150.8 -96.4 133.2 21.1 58.3 -11.5 87 94 A A - 0 0 1 18,-0.4 -30,-0.6 -2,-0.4 -1,-0.1 0.765 48.9-149.0 -67.2 -26.7 17.8 56.4 -11.7 88 95 A A - 0 0 20 17,-0.2 -31,-0.3 -32,-0.1 7,-0.1 0.812 9.6 -98.4 68.7 123.5 16.8 59.5 -13.7 89 96 A K + 0 0 128 5,-0.1 2,-0.2 7,-0.1 7,-0.2 -0.269 49.9 178.9 -55.8 152.6 13.4 61.1 -14.1 90 97 A G B >> +G 95 0B 13 5,-2.0 5,-1.6 -33,-0.0 4,-0.9 -0.768 23.6 68.0-144.0-167.9 11.5 60.1 -17.2 91 98 A G T 45S- 0 0 1 171,-0.3 171,-0.2 -2,-0.2 172,-0.1 -0.185 95.5 -46.6 83.2-175.2 8.3 60.5 -19.2 92 99 A A T 45S+ 0 0 6 1,-0.2 -1,-0.2 168,-0.2 170,-0.1 0.775 143.0 26.9 -66.0 -29.5 6.8 63.4 -21.2 93 100 A R T 45S- 0 0 154 -3,-0.3 -1,-0.2 635,-0.1 -2,-0.2 0.650 110.5-117.1-101.9 -22.4 7.5 65.9 -18.3 94 101 A G T <5 + 0 0 20 -4,-0.9 2,-0.3 1,-0.1 -3,-0.2 0.858 56.7 141.2 73.9 100.3 10.4 64.1 -16.7 95 102 A Q B < -G 90 0B 29 -5,-1.6 -5,-2.0 -7,-0.1 2,-0.2 -0.946 54.9 -81.7-157.3 164.3 9.5 63.1 -13.2 96 103 A W - 0 0 32 5,-0.5 2,-0.2 -2,-0.3 8,-0.1 -0.545 52.5-115.0 -72.0 149.6 9.9 60.3 -10.6 97 104 A A + 0 0 2 6,-0.4 6,-3.6 -40,-0.3 2,-0.2 -0.531 67.6 49.3 -85.7 152.9 7.5 57.5 -11.0 98 105 A G S S- 0 0 2 4,-0.3 629,-0.2 -2,-0.2 626,-0.1 -0.460 87.7 -34.3 114.1 173.6 4.8 56.6 -8.5 99 106 A S S > S+ 0 0 9 627,-0.2 3,-2.4 624,-0.2 624,-0.1 -0.039 107.9 5.2 -61.2 168.5 1.9 58.1 -6.5 100 107 A G B 3 S-h 726 0C 14 625,-2.0 627,-3.0 622,-1.3 628,-0.6 -0.304 140.3 -16.6 53.8-127.9 2.1 61.6 -5.1 101 108 A A T 3 S- 0 0 78 1,-0.3 -5,-0.5 625,-0.2 -1,-0.3 0.321 110.3-102.1 -90.4 5.7 5.2 63.4 -6.3 102 109 A G < - 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