==== 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 30-SEP-05 2C2W . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR A.R.MCEWAN,J.H.NAISMITH,D.O'HAGAN . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 18.4 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 . 5 0.6 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 . 86 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 8 1 1 3 4 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 . 3 3 3 2 4 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 . 7 0 5 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 0 221 0, 0.0 30,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 56.7 13.3 41.6 -0.9 2 9 A P - 0 0 33 0, 0.0 30,-2.1 0, 0.0 2,-0.4 -0.270 360.0-157.8 -66.7 148.0 15.7 41.7 -3.9 3 10 A I E -a 32 0A 8 59,-0.2 61,-2.5 28,-0.2 2,-0.5 -0.974 10.9-165.3-126.9 140.5 14.3 42.1 -7.4 4 11 A I E -ab 33 64A 0 28,-2.5 30,-3.0 -2,-0.4 2,-0.6 -1.000 10.0-156.7-120.0 126.4 15.8 41.1 -10.7 5 12 A A E -ab 34 65A 0 59,-2.6 61,-2.3 -2,-0.5 2,-0.5 -0.940 17.2-155.5-105.8 126.2 14.2 42.7 -13.8 6 13 A F E +ab 35 66A 0 28,-2.7 30,-3.1 -2,-0.6 31,-0.5 -0.887 20.7 172.6-120.9 119.6 14.9 40.5 -16.7 7 14 A M E + b 0 67A 0 59,-2.7 61,-2.7 -2,-0.5 2,-0.3 -0.995 19.5 147.3-126.2 122.9 15.0 41.5 -20.4 8 15 A S E - b 0 68A 0 29,-1.8 32,-0.7 -2,-0.4 61,-0.2 -0.870 55.4-123.0-142.8 178.5 16.2 39.1 -23.0 9 16 A D S S+ 0 0 4 59,-0.9 29,-0.1 -2,-0.3 60,-0.1 0.017 80.1 110.1-106.3 22.8 15.7 38.0 -26.6 10 17 A L S S- 0 0 8 58,-0.2 3,-0.3 1,-0.1 6,-0.2 0.661 70.4-143.8 -74.4 -17.6 15.0 34.4 -25.4 11 18 A G - 0 0 7 27,-2.1 6,-0.3 -3,-0.2 -1,-0.1 -0.039 16.6-102.0 74.7 177.5 11.4 34.5 -26.3 12 19 A T S S+ 0 0 88 1,-0.1 318,-0.5 4,-0.1 319,-0.3 -0.105 94.2 92.7-125.6 34.6 8.5 32.9 -24.4 13 20 A T S S+ 0 0 43 -3,-0.3 2,-0.2 483,-0.2 316,-0.1 0.513 90.2 21.8-108.6 -8.7 7.9 29.8 -26.5 14 21 A D S S- 0 0 9 -4,-0.2 3,-0.4 314,-0.2 4,-0.3 -0.724 94.9 -80.6-140.5-164.4 10.2 27.4 -24.7 15 22 A D S > S+ 0 0 2 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.285 89.3 105.2 -90.7 11.0 11.9 26.8 -21.4 16 23 A S H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 84.8 41.0 -58.3 -49.7 14.9 29.1 -21.9 17 24 A V H > S+ 0 0 10 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.887 113.5 55.1 -66.3 -39.2 13.7 31.9 -19.6 18 25 A A H > S+ 0 0 0 -4,-0.3 4,-2.6 310,-0.3 -1,-0.2 0.839 103.9 54.5 -64.7 -34.6 12.5 29.3 -17.0 19 26 A Q H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.931 110.6 46.2 -61.9 -45.6 16.0 27.8 -17.0 20 27 A C H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.902 114.1 49.1 -61.2 -45.2 17.4 31.2 -16.1 21 28 A K H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.861 105.9 54.2 -64.6 -41.6 14.7 31.8 -13.5 22 29 A G H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.928 112.2 46.5 -58.9 -42.6 15.1 28.4 -11.7 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.882 109.5 53.7 -64.6 -40.4 18.8 29.4 -11.4 24 31 A M H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 7,-0.2 0.905 113.1 42.6 -61.6 -42.1 18.0 32.9 -10.2 25 32 A Y H < S+ 0 0 26 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.839 112.7 55.2 -71.9 -33.1 15.7 31.4 -7.4 26 33 A S H < S+ 0 0 19 -4,-2.0 -2,-0.2 324,-0.3 -1,-0.2 0.911 116.8 35.5 -62.7 -44.7 18.3 28.8 -6.7 27 34 A I H < S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.872 130.5 30.0 -79.1 -40.9 21.0 31.4 -6.1 28 35 A C S >< S- 0 0 5 -4,-2.4 3,-2.5 -5,-0.2 -1,-0.3 -0.764 70.1-175.3-123.6 82.3 18.9 34.1 -4.5 29 36 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.717 82.9 47.8 -58.1 -23.1 16.2 32.3 -2.7 30 37 A D T 3 S+ 0 0 85 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.412 88.6 123.4 -94.2 -0.2 14.3 35.5 -1.6 31 38 A V < - 0 0 7 -3,-2.5 2,-0.5 -7,-0.2 -28,-0.2 -0.215 50.9-150.2 -68.9 150.1 14.5 37.1 -5.1 32 39 A T E -a 3 0A 41 -30,-2.1 -28,-2.5 -31,-0.0 2,-0.7 -0.990 13.3-152.6-110.4 127.9 11.5 38.3 -7.1 33 40 A V E -a 4 0A 14 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.903 9.7-166.6-104.0 116.4 12.1 38.0 -10.8 34 41 A V E -a 5 0A 3 -30,-3.0 -28,-2.7 -2,-0.7 2,-0.3 -0.889 16.4-134.9-102.7 125.2 10.1 40.6 -12.8 35 42 A D E -a 6 0A 39 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.598 21.6-179.6 -75.9 136.5 9.9 40.0 -16.5 36 43 A V - 0 0 9 -30,-3.1 566,-0.3 -2,-0.3 2,-0.3 0.802 64.3 -57.1 -90.8 -75.5 10.6 43.2 -18.6 37 44 A C - 0 0 4 -31,-0.5 -29,-1.8 560,-0.1 -1,-0.3 -0.962 36.8-165.8-161.3 161.9 10.1 41.5 -22.0 38 45 A H S S+ 0 0 8 558,-0.5 -27,-2.1 -2,-0.3 559,-0.1 0.267 72.7 85.7-130.3 8.4 11.6 38.6 -23.9 39 46 A S + 0 0 55 557,-0.4 -30,-0.1 -29,-0.1 558,-0.1 0.360 53.4 134.2 -97.9 1.9 10.3 39.4 -27.4 40 47 A M S S- 0 0 0 -32,-0.7 3,-0.1 1,-0.1 -29,-0.1 -0.098 72.6 -89.7 -52.5 150.0 12.9 41.8 -28.7 41 48 A T > - 0 0 74 3,-0.1 3,-1.8 1,-0.1 7,-0.2 -0.497 58.0-104.1 -56.7 120.4 14.2 41.3 -32.2 42 49 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.276 98.7 6.3 -51.3 133.4 17.2 39.0 -31.6 43 50 A W T 3 S+ 0 0 68 1,-0.2 2,-1.2 -3,-0.1 3,-0.2 0.540 88.8 128.8 72.8 10.8 20.6 40.7 -31.8 44 51 A D <> + 0 0 36 -3,-1.8 4,-2.3 1,-0.2 3,-0.2 -0.745 32.2 178.6 -96.9 87.7 19.0 44.2 -32.2 45 52 A V H > S+ 0 0 19 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.845 76.3 56.5 -64.9 -29.4 21.0 45.9 -29.4 46 53 A E H > S+ 0 0 91 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.898 109.3 44.6 -68.7 -42.2 19.3 49.3 -30.2 47 54 A E H > S+ 0 0 13 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.893 111.4 53.5 -67.0 -41.6 15.8 47.9 -29.6 48 55 A G H < S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.896 104.8 56.5 -59.4 -37.7 16.9 46.1 -26.5 49 56 A A H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-1.2 0.858 100.2 57.6 -63.4 -37.0 18.3 49.3 -25.2 50 57 A R H 3< S+ 0 0 61 -4,-1.2 4,-0.4 1,-0.3 -1,-0.2 0.818 102.9 54.6 -63.9 -32.6 14.9 51.1 -25.5 51 58 A Y T 3< S+ 0 0 19 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.571 119.1 31.4 -76.5 -10.6 13.2 48.5 -23.3 52 59 A I T X4 S+ 0 0 0 -3,-1.2 3,-1.1 -4,-0.4 -2,-0.2 0.642 94.2 82.6-120.5 -21.6 15.7 49.0 -20.4 53 60 A V T 3< S+ 0 0 8 -4,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.808 98.6 39.7 -60.0 -34.1 16.8 52.6 -20.4 54 61 A D T 3 S+ 0 0 32 -4,-0.4 3,-0.3 1,-0.2 4,-0.3 0.398 89.9 93.6 -99.9 3.0 13.8 54.0 -18.5 55 62 A L X> + 0 0 0 -3,-1.1 3,-1.9 1,-0.2 4,-0.9 0.840 62.9 76.7 -67.9 -37.3 13.3 51.3 -15.9 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.857 91.2 51.5 -47.6 -49.4 15.3 52.5 -12.9 57 64 A R G 34 S+ 0 0 12 -3,-0.3 40,-0.4 1,-0.3 46,-0.2 0.685 107.6 55.3 -68.6 -16.5 12.9 55.1 -11.6 58 65 A F G <4 S+ 0 0 0 -3,-1.9 552,-0.3 -4,-0.3 -1,-0.3 0.700 100.0 73.2 -82.9 -21.2 10.1 52.6 -11.6 59 66 A F S << S- 0 0 0 -3,-1.4 548,-0.1 -4,-0.9 3,-0.1 -0.644 90.1 -95.1-103.8 151.0 11.8 50.0 -9.4 60 67 A P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.270 56.2 -92.2 -53.5 144.5 12.7 49.7 -5.8 61 68 A E T 3 S+ 0 0 95 1,-0.2 49,-0.2 -4,-0.1 3,-0.1 -0.285 114.0 38.5 -56.8 142.4 16.2 50.9 -5.0 62 69 A G T 3 S+ 0 0 52 47,-3.4 -1,-0.2 1,-0.3 -59,-0.2 0.388 80.8 148.1 93.2 -2.8 18.7 48.0 -5.2 63 70 A T < - 0 0 2 -3,-1.5 48,-1.6 46,-0.3 2,-0.5 -0.370 39.7-141.9 -64.2 141.0 17.0 46.3 -8.1 64 71 A V E -bc 4 111A 4 -61,-2.5 -59,-2.6 46,-0.2 2,-0.7 -0.934 6.3-150.6-104.6 130.9 19.2 44.4 -10.5 65 72 A F E -bc 5 112A 0 46,-3.3 48,-2.5 -2,-0.5 2,-0.8 -0.899 6.4-166.2-103.4 113.4 18.5 44.6 -14.2 66 73 A A E +bc 6 113A 0 -61,-2.3 -59,-2.7 -2,-0.7 2,-0.4 -0.888 19.8 172.6 -99.0 106.6 19.6 41.5 -16.1 67 74 A T E +b 7 0A 0 46,-2.3 2,-0.3 -2,-0.8 -59,-0.2 -0.978 3.5 166.2-131.1 123.4 19.4 42.6 -19.7 68 75 A T E +b 8 0A 0 -61,-2.7 -59,-0.9 -2,-0.4 2,-0.4 -0.936 34.2 157.1-155.7 121.8 20.7 40.5 -22.6 69 76 A T - 0 0 0 -2,-0.3 3,-0.2 -61,-0.2 50,-0.1 -0.977 30.8-170.9-119.7 131.5 20.8 39.8 -26.3 70 77 A Y > + 0 0 9 -2,-0.4 3,-2.2 1,-0.1 80,-0.2 -0.389 27.4 153.6-128.9 60.7 24.0 37.8 -26.7 71 78 A P T 3 S+ 0 0 32 0, 0.0 469,-0.2 0, 0.0 -1,-0.1 0.754 81.3 57.9 -55.2 -27.4 25.0 37.2 -30.4 72 79 A A T > S+ 0 0 34 -3,-0.2 3,-1.8 467,-0.1 5,-0.3 0.147 79.0 150.8 -88.6 19.9 28.7 36.8 -29.2 73 80 A T T < + 0 0 7 -3,-2.2 467,-0.5 1,-0.2 466,-0.2 -0.225 64.1 19.9 -51.9 134.7 27.6 33.9 -26.9 74 81 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.528 98.2 113.5 84.1 4.4 30.5 31.4 -26.4 75 82 A T S < S- 0 0 39 -3,-1.8 -1,-0.3 72,-0.1 -3,-0.0 -0.361 88.1 -94.4 -93.6-177.5 33.3 33.8 -27.4 76 83 A T S S+ 0 0 137 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.562 89.8 117.3 -77.0 -6.3 35.9 35.1 -25.0 77 84 A T - 0 0 41 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.181 50.8-156.8 -58.3 154.0 33.8 38.2 -24.5 78 85 A R - 0 0 64 38,-0.1 38,-0.4 36,-0.0 58,-0.1 -0.967 18.5-101.6-137.0 152.4 32.5 38.8 -21.0 79 86 A S - 0 0 1 56,-0.5 56,-2.5 -2,-0.3 2,-0.4 -0.157 27.3-132.9 -66.9 162.7 29.6 40.7 -19.5 80 87 A V E -DE 114 134A 1 34,-2.9 34,-2.3 54,-0.2 2,-0.5 -0.937 12.9-161.3-112.8 140.0 29.9 44.1 -18.0 81 88 A A E +DE 113 133A 0 52,-2.6 52,-2.4 -2,-0.4 2,-0.4 -0.995 17.6 180.0-119.8 125.7 28.2 44.8 -14.6 82 89 A V E -DE 112 132A 0 30,-2.8 30,-2.5 -2,-0.5 2,-0.7 -0.986 27.8-142.0-133.1 139.2 27.7 48.5 -13.9 83 90 A R E -DE 111 131A 69 48,-2.1 47,-3.2 -2,-0.4 48,-1.0 -0.848 31.4-138.6 -93.8 117.3 26.2 50.6 -11.0 84 91 A I E - E 0 129A 0 26,-2.1 26,-0.4 -2,-0.7 45,-0.3 -0.242 4.0-144.7 -75.1 166.7 24.4 53.5 -12.6 85 92 A K S S+ 0 0 97 43,-1.3 23,-2.6 42,-0.5 2,-0.4 0.908 72.4 27.1 -93.6 -75.7 24.5 57.0 -11.1 86 93 A Q - 0 0 62 41,-2.8 2,-1.0 21,-0.2 -1,-0.3 -0.779 56.0-147.6 -96.6 131.6 21.2 58.9 -11.5 87 94 A A - 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