==== 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 07-DEC-03 1RQR . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR C.DONG,F.HUANG,H.DENG,C.SCHAFFRATH,J.B.SPENCER,D.O'HAGAN,J.H . 876 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 165 18.8 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 . 73 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 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 0 2 3 3 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 . 4 2 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 . 11 0 6 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 0 197 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 81.6 24.7 23.2 91.3 2 9 A P - 0 0 37 0, 0.0 30,-2.2 0, 0.0 2,-0.4 -0.253 360.0-156.8 -65.5 147.2 22.5 23.0 88.1 3 10 A I E -a 32 0A 11 28,-0.2 61,-2.1 57,-0.1 2,-0.4 -0.972 8.7-165.6-122.2 142.0 23.8 22.6 84.6 4 11 A I E -ab 33 64A 0 28,-2.0 30,-1.9 -2,-0.4 2,-0.5 -0.988 10.4-155.0-121.4 120.7 22.3 23.4 81.2 5 12 A A E -ab 34 65A 0 59,-2.2 61,-1.9 -2,-0.4 2,-0.5 -0.855 16.8-152.6 -96.0 127.0 23.9 22.0 78.2 6 13 A F E +ab 35 66A 0 28,-2.4 30,-2.5 -2,-0.5 2,-0.5 -0.882 20.3 174.6-119.5 114.2 23.1 24.2 75.2 7 14 A X E + b 0 67A 0 59,-2.9 61,-3.0 -2,-0.5 2,-0.3 -0.993 21.3 145.3-115.9 122.8 23.0 23.0 71.6 8 15 A S E - b 0 68A 0 29,-1.7 32,-0.8 -2,-0.5 61,-0.2 -0.827 55.0-124.7-140.7-177.5 21.8 25.5 68.9 9 16 A D S S+ 0 0 5 59,-0.7 29,-0.1 -2,-0.3 60,-0.1 -0.035 78.4 109.2-112.8 27.1 22.3 26.6 65.3 10 17 A L S S- 0 0 2 1,-0.2 3,-0.2 58,-0.2 4,-0.2 0.645 70.5-140.7 -84.7 -18.6 23.0 30.2 66.4 11 18 A G - 0 0 7 27,-2.1 6,-0.4 1,-0.2 -1,-0.2 -0.060 14.9-104.8 85.0 174.9 26.7 30.2 65.5 12 19 A T S S+ 0 0 74 4,-0.1 318,-0.4 5,-0.1 319,-0.4 0.098 94.5 90.8-123.1 24.2 29.6 31.8 67.4 13 20 A T S S+ 0 0 47 -3,-0.2 2,-0.2 483,-0.1 -2,-0.1 0.635 92.7 23.9 -99.0 -19.0 30.2 34.8 65.1 14 21 A D S S- 0 0 9 -4,-0.2 3,-0.4 314,-0.1 4,-0.2 -0.672 96.3 -86.0-128.5-167.5 27.9 37.2 66.9 15 22 A D S > S+ 0 0 1 -2,-0.2 4,-1.5 1,-0.2 314,-0.1 0.201 86.3 108.9 -87.8 17.5 26.4 37.7 70.4 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.5 -6,-0.2 3,-0.4 0.929 80.5 45.5 -66.6 -50.9 23.3 35.5 70.0 17 24 A V H > S+ 0 0 9 -6,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.851 111.5 55.9 -53.1 -39.9 24.4 32.6 72.3 18 25 A A H > S+ 0 0 0 310,-0.4 4,-2.6 -4,-0.2 -1,-0.2 0.789 101.1 56.6 -69.9 -29.3 25.6 35.2 74.8 19 26 A Q H X S+ 0 0 2 -4,-1.5 4,-1.7 -3,-0.4 -1,-0.2 0.944 110.9 44.2 -64.1 -46.1 22.1 36.8 74.9 20 27 A C H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.868 113.3 51.2 -63.8 -40.5 20.6 33.4 75.9 21 28 A K H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.950 106.3 53.7 -63.7 -49.9 23.4 32.8 78.4 22 29 A G H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.892 112.3 45.7 -50.5 -42.9 22.9 36.2 80.1 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.866 109.5 54.3 -70.1 -37.9 19.2 35.3 80.5 24 31 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.921 111.3 44.3 -63.4 -46.0 20.0 31.7 81.8 25 32 A Y H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.700 111.8 57.3 -64.5 -25.1 22.4 33.1 84.6 26 33 A S H < S+ 0 0 18 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.925 113.5 35.6 -69.9 -45.4 19.7 35.8 85.3 27 34 A I H < S+ 0 0 23 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.800 132.7 27.6 -78.7 -34.7 16.9 33.2 86.0 28 35 A C >< - 0 0 7 -4,-2.3 3,-2.0 -5,-0.2 -1,-0.3 -0.781 69.0-173.9-133.7 82.2 19.1 30.6 87.7 29 36 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.653 82.5 51.3 -57.9 -21.7 22.1 32.4 89.3 30 37 A D T 3 S+ 0 0 94 2,-0.1 -5,-0.1 -27,-0.0 134,-0.0 0.385 85.8 122.6 -92.9 -2.3 23.9 29.1 90.4 31 38 A V < - 0 0 6 -3,-2.0 2,-0.5 -7,-0.2 -28,-0.2 -0.203 52.0-149.0 -65.9 148.0 23.8 27.5 86.9 32 39 A T E -a 3 0A 42 -30,-2.2 -28,-2.0 -31,-0.1 2,-0.7 -0.992 13.7-151.6-109.5 124.1 26.7 26.3 84.9 33 40 A V E -a 4 0A 15 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.866 10.3-166.6 -98.0 113.3 26.1 26.6 81.1 34 41 A V E -a 5 0A 2 -30,-1.9 -28,-2.4 -2,-0.7 2,-0.2 -0.887 15.5-135.1-100.5 119.7 28.0 24.1 79.1 35 42 A D E +a 6 0A 38 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.520 21.8 179.4 -67.8 133.7 28.2 24.6 75.3 36 43 A V - 0 0 11 -30,-2.5 2,-0.3 -2,-0.2 566,-0.2 0.727 63.1 -55.3 -89.1 -88.1 27.6 21.6 73.1 37 44 A C - 0 0 4 -31,-0.3 -29,-1.7 560,-0.1 -1,-0.2 -0.985 35.4-166.3-153.7 156.7 28.0 23.2 69.7 38 45 A H S S+ 0 0 6 558,-0.5 -27,-2.1 -2,-0.3 559,-0.1 0.231 73.9 84.7-125.3 13.3 26.4 26.1 67.8 39 46 A S + 0 0 51 557,-0.4 -30,-0.1 -29,-0.1 -1,-0.1 0.362 52.0 132.9 -98.8 -5.8 27.7 25.2 64.3 40 47 A X S S- 0 0 1 -32,-0.8 3,-0.1 1,-0.1 -29,-0.1 -0.164 72.6 -90.5 -52.5 150.7 25.1 22.7 63.0 41 48 A T > - 0 0 73 1,-0.1 3,-1.7 3,-0.1 7,-0.2 -0.457 58.1-102.9 -56.6 120.7 23.8 23.3 59.5 42 49 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.164 98.3 6.8 -46.7 135.2 20.7 25.5 60.1 43 50 A W T 3 S+ 0 0 75 1,-0.2 2,-1.2 -3,-0.1 3,-0.1 0.365 90.7 127.1 78.2 -0.1 17.3 23.8 59.9 44 51 A D X> + 0 0 38 -3,-1.7 4,-2.0 1,-0.2 3,-0.6 -0.700 32.5 177.2 -91.6 85.6 18.9 20.4 59.6 45 52 A V H 3> S+ 0 0 18 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.734 76.0 58.2 -68.8 -24.1 17.1 18.5 62.4 46 53 A E H 3> S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.852 108.9 47.2 -71.8 -33.0 18.7 15.2 61.7 47 54 A E H <> S+ 0 0 18 -3,-0.6 4,-1.2 2,-0.2 3,-0.3 0.915 109.0 52.7 -70.7 -47.8 22.1 16.8 62.2 48 55 A G H >X S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.909 106.1 57.0 -51.2 -45.4 21.1 18.5 65.4 49 56 A A H >X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 3,-1.1 0.837 99.3 55.5 -59.0 -42.7 19.9 15.1 66.8 50 57 A R H 3< S+ 0 0 55 -4,-1.2 4,-0.5 -3,-0.3 -1,-0.2 0.832 106.1 54.7 -61.4 -30.2 23.3 13.4 66.4 51 58 A Y H << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.677 119.6 29.3 -75.8 -16.2 24.8 16.1 68.5 52 59 A I H X< S+ 0 0 0 -3,-1.1 3,-0.7 -4,-0.5 -2,-0.2 0.538 98.4 79.3-119.0 -15.0 22.4 15.6 71.4 53 60 A V T 3< S+ 0 0 8 -4,-1.9 -3,-0.1 1,-0.2 -2,-0.1 0.853 97.4 43.0 -72.4 -34.4 21.3 12.0 71.4 54 61 A D T 3 S+ 0 0 31 -4,-0.5 3,-0.4 1,-0.2 4,-0.3 0.463 92.4 90.6 -88.7 -2.6 24.4 10.5 73.1 55 62 A L X> + 0 0 0 -3,-0.7 3,-1.4 1,-0.2 4,-0.8 0.797 61.1 76.3 -67.7 -39.3 24.8 13.2 75.8 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.800 90.8 53.0 -51.8 -44.4 22.8 12.1 78.9 57 64 A R G 34 S+ 0 0 11 30,-0.5 40,-0.2 -3,-0.4 46,-0.1 0.742 106.5 55.4 -68.0 -22.8 25.2 9.4 80.3 58 65 A F G <4 S+ 0 0 1 -3,-1.4 552,-0.3 -4,-0.3 -1,-0.2 0.765 99.8 73.6 -75.0 -25.4 28.1 11.9 80.4 59 66 A F S << S- 0 0 0 -3,-1.0 548,-0.1 -4,-0.8 3,-0.1 -0.508 88.6 -97.1 -98.4 154.3 26.3 14.6 82.5 60 67 A P > - 0 0 28 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.317 52.5 -89.5 -60.7 150.9 25.4 14.7 86.2 61 68 A E T 3 S+ 0 0 100 1,-0.2 49,-0.1 549,-0.1 48,-0.0 -0.392 116.2 38.9 -62.2 138.4 21.8 13.7 87.2 62 69 A G T 3 S+ 0 0 55 47,-2.6 -1,-0.2 1,-0.3 48,-0.1 0.137 81.0 145.5 106.2 -16.2 19.6 16.8 87.0 63 70 A T < - 0 0 2 -3,-1.8 48,-1.4 46,-0.1 2,-0.4 -0.236 37.6-147.8 -63.1 141.9 21.1 18.2 83.9 64 71 A V E -bc 4 111A 3 -61,-2.1 -59,-2.2 46,-0.2 2,-0.7 -0.936 3.8-149.7-110.9 131.8 18.9 20.1 81.4 65 72 A F E -bc 5 112A 0 46,-3.1 48,-2.3 -2,-0.4 2,-0.8 -0.903 5.0-165.1-107.8 109.6 19.5 20.0 77.6 66 73 A A E +bc 6 113A 0 -61,-1.9 -59,-2.9 -2,-0.7 2,-0.4 -0.889 20.0 174.7 -90.3 111.1 18.4 23.1 75.7 67 74 A T E +b 7 0A 1 46,-2.1 2,-0.4 -2,-0.8 -59,-0.2 -0.981 5.8 169.0-129.5 119.7 18.6 21.9 72.1 68 75 A T E +b 8 0A 0 -61,-3.0 -59,-0.7 -2,-0.4 2,-0.3 -0.964 33.8 151.4-152.4 122.5 17.3 24.1 69.3 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.943 29.9-171.3-127.8 125.0 17.1 24.8 65.6 70 77 A Y > + 0 0 12 -2,-0.3 3,-1.4 1,-0.2 80,-0.2 -0.595 25.4 157.4-125.6 70.2 13.8 26.8 65.1 71 78 A P T 3 S+ 0 0 36 0, 0.0 469,-0.2 0, 0.0 -1,-0.2 0.747 81.1 58.4 -58.9 -24.9 12.8 27.3 61.5 72 79 A A T > S+ 0 0 34 -3,-0.2 3,-1.9 467,-0.1 5,-0.3 0.086 78.2 151.8 -91.2 21.4 9.2 27.8 62.7 73 80 A T T < + 0 0 7 -3,-1.4 467,-0.5 1,-0.2 466,-0.3 -0.254 62.7 22.4 -59.9 137.6 10.2 30.7 64.9 74 81 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.2 72,-0.2 74,-0.1 0.331 100.1 109.9 89.0 -5.4 7.5 33.3 65.4 75 82 A T S < S- 0 0 38 -3,-1.9 -1,-0.3 72,-0.1 -3,-0.0 -0.262 86.3 -95.1 -92.8-178.4 4.6 30.9 64.6 76 83 A T S S+ 0 0 132 -3,-0.1 -3,-0.1 -2,-0.1 -1,-0.0 0.476 87.4 113.2 -78.4 -5.2 2.0 29.4 66.9 77 84 A T - 0 0 42 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.253 54.5-152.4 -59.0 160.7 4.0 26.3 67.4 78 85 A R - 0 0 66 38,-0.1 38,-0.3 1,-0.0 58,-0.1 -0.982 15.4-102.4-139.5 150.3 5.3 25.7 70.9 79 86 A S - 0 0 0 56,-0.5 56,-2.5 -2,-0.3 2,-0.4 -0.127 28.1-133.2 -68.2 164.0 8.3 23.9 72.4 80 87 A V E -DE 114 134A 2 34,-2.4 34,-2.3 54,-0.2 2,-0.4 -0.929 11.4-162.0-119.0 143.5 8.2 20.5 74.1 81 88 A A E -DE 113 133A 0 52,-2.2 52,-2.0 -2,-0.4 2,-0.4 -0.996 14.5-177.3-128.7 126.4 9.9 19.5 77.3 82 89 A V E -DE 112 132A 0 30,-2.4 30,-1.9 -2,-0.4 2,-0.8 -0.975 27.1-144.0-130.0 133.9 10.5 15.8 78.2 83 90 A R E -DE 111 131A 69 48,-2.0 47,-2.9 -2,-0.4 48,-1.0 -0.882 34.2-139.7 -88.6 114.1 11.9 13.9 81.1 84 91 A I E - E 0 129A 0 26,-1.6 26,-0.5 -2,-0.8 24,-0.4 -0.363 4.2-144.0 -73.3 155.2 13.7 11.0 79.5 85 92 A K S S+ 0 0 89 42,-0.7 23,-1.9 43,-0.6 24,-0.4 0.953 75.4 29.3 -84.0 -80.5 13.5 7.5 80.9 86 93 A Q - 0 0 90 41,-2.2 -1,-0.2 21,-0.2 21,-0.1 -0.722 54.9-153.5 -90.2 130.2 16.9 5.6 80.5 87 94 A A - 0 0 2 -2,-0.4 -30,-0.5 18,-0.4 -1,-0.1 0.795 47.5-153.8 -64.8 -29.6 20.2 7.5 80.3 88 95 A A - 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