==== 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 27-OCT-05 2C5H . 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, . 875 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 18.3 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 . 3 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 . 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 . 90 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.3 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 0 0 3 6 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 . 3 3 3 0 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 . 15 1 6 9 7 1 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 1 5 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 2,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 76.3 13.2 41.0 -0.7 2 9 A P - 0 0 32 0, 0.0 30,-2.4 0, 0.0 2,-0.4 -0.527 360.0-158.7 -78.6 144.5 15.6 40.9 -3.7 3 10 A I E -a 32 0A 9 28,-0.2 61,-2.7 -2,-0.2 2,-0.6 -0.974 11.3-164.3-129.4 127.0 14.3 41.4 -7.2 4 11 A I E -ab 33 64A 0 28,-2.3 30,-3.1 -2,-0.4 2,-0.7 -0.947 11.7-154.0-106.3 124.7 15.8 40.4 -10.6 5 12 A A E -ab 34 65A 0 59,-3.3 61,-2.2 -2,-0.6 2,-0.5 -0.871 17.9-153.6 -99.8 117.6 14.2 42.0 -13.6 6 13 A F E +ab 35 66A 0 28,-3.4 30,-3.9 -2,-0.7 31,-0.7 -0.768 22.2 167.3-109.1 126.8 14.8 39.8 -16.5 7 14 A M E +ab 37 67A 0 59,-2.9 61,-3.3 -2,-0.5 2,-0.3 -0.993 18.2 134.6-137.9 129.3 14.9 40.8 -20.2 8 15 A S E - b 0 68A 0 29,-1.7 32,-0.9 -2,-0.4 61,-0.2 -0.896 58.5-116.5-156.8-178.9 16.1 38.6 -22.9 9 16 A D S S+ 0 0 2 59,-0.7 29,-0.1 -2,-0.3 60,-0.1 0.114 76.0 114.9-112.9 19.4 15.3 37.4 -26.4 10 17 A L - 0 0 1 58,-0.2 4,-0.3 1,-0.2 3,-0.3 0.599 69.6-140.3 -70.2 -10.2 14.8 33.7 -25.2 11 18 A G - 0 0 6 27,-2.7 6,-0.3 1,-0.2 -1,-0.2 -0.142 16.0 -96.8 74.5-173.3 11.2 33.8 -26.2 12 19 A T S S+ 0 0 73 -3,-0.1 320,-0.4 4,-0.1 321,-0.3 -0.020 98.3 89.0-132.9 17.4 8.2 32.4 -24.5 13 20 A T S S+ 0 0 38 -3,-0.3 2,-0.2 485,-0.2 320,-0.1 0.724 90.0 18.5 -99.4 -25.2 8.0 29.2 -26.5 14 21 A D S S- 0 0 10 -4,-0.3 3,-0.4 484,-0.2 4,-0.3 -0.593 93.3 -81.0-130.5-162.9 10.2 26.7 -24.7 15 22 A D S > S+ 0 0 0 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.288 89.6 108.8 -88.6 9.1 11.7 26.2 -21.2 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.922 81.5 41.2 -47.2 -59.4 14.6 28.6 -21.9 17 24 A V H > S+ 0 0 12 -3,-0.4 4,-2.9 -6,-0.3 -1,-0.2 0.909 113.3 54.8 -59.0 -45.2 13.5 31.3 -19.6 18 25 A A H > S+ 0 0 0 312,-0.5 4,-3.8 -4,-0.3 -1,-0.2 0.840 101.5 58.5 -62.0 -34.8 12.4 28.9 -16.9 19 26 A Q H X S+ 0 0 1 -4,-2.3 4,-2.5 -3,-0.2 -1,-0.2 0.974 109.6 43.4 -61.3 -49.7 15.8 27.3 -16.8 20 27 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.940 114.8 50.7 -53.2 -50.1 17.3 30.7 -16.0 21 28 A K H X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.891 107.6 53.1 -58.5 -39.4 14.4 31.2 -13.5 22 29 A G H X S+ 0 0 0 -4,-3.8 4,-2.2 1,-0.2 -1,-0.2 0.963 111.4 46.5 -59.2 -49.4 15.1 27.8 -11.9 23 30 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.872 109.5 54.4 -60.8 -38.5 18.8 28.8 -11.5 24 31 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 7,-0.2 0.913 110.6 44.2 -64.0 -44.3 17.8 32.2 -10.0 25 32 A Y H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 113.0 53.9 -69.0 -35.7 15.6 30.7 -7.3 26 33 A S H < S+ 0 0 28 -4,-2.2 -2,-0.2 326,-0.3 -1,-0.2 0.818 116.4 36.5 -63.3 -35.3 18.3 28.1 -6.7 27 34 A I H < S+ 0 0 24 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 132.7 26.7 -84.6 -38.2 21.1 30.8 -6.2 28 35 A C S >< S- 0 0 6 -4,-2.8 3,-2.8 -5,-0.2 -1,-0.2 -0.706 70.7-170.7-130.9 77.8 18.9 33.3 -4.4 29 36 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.735 85.1 46.8 -41.6 -42.3 16.0 31.5 -2.6 30 37 A D T 3 S+ 0 0 117 2,-0.1 -5,-0.1 -27,-0.0 0, 0.0 0.247 85.1 129.3 -87.4 8.8 14.1 34.7 -1.7 31 38 A V < - 0 0 6 -3,-2.8 2,-0.5 -7,-0.2 -28,-0.2 -0.286 49.3-148.3 -68.5 145.0 14.3 36.3 -5.2 32 39 A T E -a 3 0A 39 -30,-2.4 -28,-2.3 2,-0.0 2,-0.7 -0.987 15.6-151.8-105.6 124.5 11.4 37.7 -7.0 33 40 A V E -a 4 0A 13 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.862 10.1-166.7 -97.2 117.4 11.9 37.4 -10.7 34 41 A V E -a 5 0A 2 -30,-3.1 -28,-3.4 -2,-0.7 2,-0.3 -0.913 14.7-138.1-105.9 122.1 10.2 40.0 -12.7 35 42 A D E -a 6 0A 30 -2,-0.6 -28,-0.2 -30,-0.2 574,-0.1 -0.594 19.4-178.3 -73.6 134.8 9.9 39.4 -16.4 36 43 A V E - 0 0 8 -30,-3.9 570,-0.5 -2,-0.3 2,-0.3 0.860 65.3 -58.8 -88.2 -70.4 10.6 42.5 -18.4 37 44 A C E -a 7 0A 7 -31,-0.7 -29,-1.7 568,-0.1 -1,-0.3 -0.891 37.5-162.0-165.5 159.2 10.0 40.8 -21.7 38 45 A H S S+ 0 0 12 562,-0.5 -27,-2.7 -2,-0.3 563,-0.1 0.127 75.4 78.8-126.7 18.7 11.5 37.9 -23.5 39 46 A S + 0 0 39 561,-0.3 -30,-0.2 -29,-0.1 -1,-0.1 0.013 53.4 132.9-125.6 24.3 10.3 38.6 -27.0 40 47 A M S S- 0 0 2 -32,-0.9 -29,-0.1 1,-0.2 3,-0.1 -0.254 75.9 -78.0 -70.1 167.0 12.5 41.3 -28.4 41 48 A T > - 0 0 70 3,-0.1 3,-2.2 1,-0.1 7,-0.3 -0.573 63.1-102.0 -65.3 119.6 13.9 40.8 -31.9 42 49 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.084 99.4 1.7 -42.9 139.5 16.8 38.4 -31.4 43 50 A W T 3 S+ 0 0 69 1,-0.2 2,-1.6 -3,-0.1 3,-0.2 0.404 89.4 132.1 64.1 -0.2 20.2 40.0 -31.4 44 51 A D <> + 0 0 38 -3,-2.2 4,-2.6 1,-0.2 3,-0.4 -0.633 29.1 176.6 -83.5 83.1 18.8 43.5 -31.9 45 52 A V H > S+ 0 0 19 -2,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.844 77.1 56.9 -59.0 -34.4 20.8 45.2 -29.1 46 53 A E H > S+ 0 0 92 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.909 109.8 44.7 -65.4 -37.8 19.3 48.6 -30.0 47 54 A E H >> S+ 0 0 12 -3,-0.4 4,-1.3 2,-0.2 3,-0.7 0.989 111.8 52.5 -68.5 -58.6 15.8 47.2 -29.4 48 55 A G H >X S+ 0 0 0 -4,-2.6 3,-1.1 -7,-0.3 4,-0.8 0.877 104.5 57.5 -35.0 -54.8 16.9 45.5 -26.2 49 56 A A H >X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.3 3,-1.5 0.891 101.3 55.2 -49.9 -47.8 18.3 48.8 -25.0 50 57 A R H << S+ 0 0 53 -4,-1.5 4,-0.4 -3,-0.7 -1,-0.3 0.795 107.3 52.3 -57.3 -31.2 14.9 50.5 -25.4 51 58 A Y H << S+ 0 0 11 -4,-1.3 -1,-0.3 -3,-1.1 -2,-0.2 0.660 117.2 34.7 -78.8 -16.8 13.4 47.9 -23.2 52 59 A I H X< S+ 0 0 0 -3,-1.5 3,-0.7 -4,-0.8 -2,-0.2 0.649 98.7 74.3-114.3 -14.4 15.8 48.2 -20.3 53 60 A V T 3< S+ 0 0 7 -4,-1.8 -3,-0.1 1,-0.2 -2,-0.1 0.727 96.5 46.5 -77.9 -26.2 16.7 51.9 -20.1 54 61 A D T 3 S+ 0 0 19 -4,-0.4 3,-0.3 1,-0.2 4,-0.3 0.382 91.8 87.5 -98.7 -2.8 13.5 53.3 -18.6 55 62 A L X> + 0 0 0 -3,-0.7 3,-1.9 1,-0.2 4,-1.0 0.828 62.5 76.3 -71.5 -38.0 13.2 50.6 -15.8 56 63 A P G >4 S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.823 91.0 54.0 -57.5 -38.9 15.2 51.8 -12.8 57 64 A R G 34 S+ 0 0 4 30,-0.5 46,-0.2 -3,-0.3 40,-0.1 0.730 107.5 53.2 -69.1 -18.2 12.8 54.4 -11.5 58 65 A F G <4 S+ 0 0 0 -3,-1.9 556,-0.4 -4,-0.3 -1,-0.3 0.735 99.7 73.9 -84.0 -25.8 9.9 51.9 -11.4 59 66 A F S << S- 0 0 0 -4,-1.0 552,-0.1 -3,-0.9 3,-0.1 -0.597 89.7-100.0 -98.9 152.4 11.7 49.3 -9.3 60 67 A P > - 0 0 31 0, 0.0 3,-1.5 0, 0.0 -57,-0.1 -0.380 54.5 -90.5 -64.3 144.0 12.6 49.2 -5.7 61 68 A E T 3 S+ 0 0 89 1,-0.2 49,-0.2 -4,-0.1 3,-0.1 -0.211 114.7 40.7 -57.7 144.6 16.2 50.1 -5.0 62 69 A G T 3 S+ 0 0 52 47,-3.8 -1,-0.2 1,-0.3 -59,-0.2 0.257 82.1 146.3 95.2 -8.8 18.6 47.1 -5.0 63 70 A T < - 0 0 2 -3,-1.5 48,-1.3 46,-0.3 2,-0.5 -0.252 40.3-143.0 -57.6 147.0 16.8 45.7 -8.0 64 71 A V E -bc 4 111A 3 -61,-2.7 -59,-3.3 46,-0.2 2,-0.8 -0.979 2.9-147.4-118.9 128.3 19.0 43.8 -10.4 65 72 A F E -bc 5 112A 0 46,-3.0 48,-2.6 -2,-0.5 2,-0.9 -0.857 7.9-168.7 -99.1 109.6 18.5 43.9 -14.2 66 73 A A E +bc 6 113A 0 -61,-2.2 -59,-2.9 -2,-0.8 2,-0.5 -0.882 21.2 172.8 -92.6 104.6 19.4 40.8 -15.9 67 74 A T E +b 7 0A 0 46,-2.0 2,-0.4 -2,-0.9 -59,-0.2 -0.964 5.7 168.8-123.6 116.2 19.3 42.0 -19.5 68 75 A T E +b 8 0A 0 -61,-3.3 -59,-0.7 -2,-0.5 2,-0.3 -0.960 34.4 149.7-149.3 128.6 20.4 39.8 -22.4 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.2 -0.925 30.7-172.2-131.6 130.6 20.7 39.1 -26.1 70 77 A Y > + 0 0 11 -2,-0.3 3,-2.4 1,-0.2 80,-0.2 -0.438 26.8 156.7-129.6 58.1 23.9 37.2 -26.6 71 78 A P T 3 S+ 0 0 32 0, 0.0 471,-0.4 0, 0.0 495,-0.2 0.847 82.2 60.6 -51.6 -32.5 25.0 36.5 -30.2 72 79 A A T > S+ 0 0 31 -3,-0.2 3,-1.9 469,-0.1 5,-0.2 0.221 78.1 146.3 -78.0 13.9 28.6 36.2 -28.9 73 80 A T T < + 0 0 5 -3,-2.4 469,-0.6 1,-0.2 468,-0.4 -0.207 63.7 22.8 -54.6 142.2 27.5 33.2 -26.7 74 81 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 72,-0.2 74,-0.1 0.400 101.4 108.3 79.1 -3.1 30.1 30.5 -26.3 75 82 A T S < S- 0 0 38 -3,-1.9 -1,-0.3 72,-0.1 -3,-0.0 -0.323 87.3 -98.0 -92.4-177.1 33.0 32.9 -27.1 76 83 A T S S+ 0 0 123 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.658 85.9 114.9 -77.9 -15.8 35.6 34.3 -24.7 77 84 A T - 0 0 45 -5,-0.2 2,-0.3 1,-0.1 -3,-0.1 -0.144 54.2-151.2 -52.4 151.3 33.7 37.6 -24.3 78 85 A R - 0 0 67 38,-0.1 38,-0.3 1,-0.0 58,-0.1 -0.940 15.3-100.8-131.2 154.3 32.4 38.2 -20.8 79 86 A S E -D 135 0A 0 56,-0.5 56,-2.9 -2,-0.3 2,-0.4 -0.185 28.2-134.6 -68.0 158.1 29.5 40.0 -19.4 80 87 A V E -DE 134 114A 2 34,-2.7 34,-2.2 54,-0.2 2,-0.5 -0.936 11.9-160.5-112.3 138.6 29.8 43.4 -17.9 81 88 A A E +DE 133 113A 0 52,-2.8 52,-2.0 -2,-0.4 2,-0.4 -0.978 16.0 179.4-119.4 116.9 28.1 44.3 -14.5 82 89 A V E -DE 132 112A 0 30,-2.1 30,-2.7 -2,-0.5 2,-0.6 -0.920 26.9-144.0-118.0 146.2 27.6 47.9 -13.8 83 90 A R E -DE 131 111A 67 48,-2.0 47,-2.7 -2,-0.4 48,-1.0 -0.952 33.7-136.0 -99.7 118.8 26.0 49.8 -10.9 84 91 A I E -D 129 0A 0 26,-1.9 24,-0.5 -2,-0.6 26,-0.5 -0.365 4.2-139.1 -78.9 157.3 24.3 52.7 -12.5 85 92 A K S S+ 0 0 81 43,-1.8 23,-2.0 42,-0.5 24,-0.5 0.924 75.8 20.2 -79.6 -90.1 24.4 56.3 -11.1 86 93 A Q - 0 0 90 41,-2.0 -1,-0.2 21,-0.2 20,-0.1 -0.540 58.4-143.2 -87.7 148.1 21.1 58.1 -11.2 87 94 A A - 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