==== 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 02-AUG-07 2V7V . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR X.ZHU,D.O'HAGAN,J.H.NAISMITH . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32982.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 107 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 1 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 . 3 3 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 . 6 1 5 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 0 195 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 31.7 24.9 23.1 91.4 2 9 A P - 0 0 33 0, 0.0 30,-1.9 0, 0.0 2,-0.4 -0.179 360.0-158.8 -65.3 148.4 22.5 23.1 88.4 3 10 A I E -a 32 0A 10 28,-0.2 61,-2.4 59,-0.2 2,-0.5 -0.978 11.2-165.8-124.3 139.1 23.8 22.7 84.8 4 11 A I E -ab 33 64A 0 28,-2.2 30,-3.0 -2,-0.4 2,-0.6 -0.998 10.8-156.5-116.5 123.8 22.2 23.6 81.5 5 12 A A E -ab 34 65A 0 59,-2.5 61,-2.4 -2,-0.5 2,-0.5 -0.918 17.5-155.0-101.1 125.6 23.9 22.1 78.5 6 13 A F E +ab 35 66A 0 28,-2.9 30,-3.1 -2,-0.6 31,-0.5 -0.876 20.5 173.2-118.5 119.8 23.1 24.3 75.5 7 14 A M E +ab 37 67A 0 59,-2.9 61,-2.8 -2,-0.5 2,-0.3 -0.990 19.6 147.9-126.4 122.3 23.1 23.2 71.8 8 15 A S E - b 0 68A 0 29,-1.9 32,-0.7 -2,-0.4 3,-0.2 -0.872 54.8-122.7-141.6 177.1 21.8 25.7 69.1 9 16 A D S S+ 0 0 4 59,-1.0 29,-0.1 -2,-0.3 60,-0.1 0.041 80.7 106.4-103.9 23.6 22.2 26.8 65.5 10 17 A L S S- 0 0 9 58,-0.2 3,-0.3 1,-0.1 4,-0.2 0.611 71.8-143.7 -79.9 -11.8 23.0 30.4 66.6 11 18 A G - 0 0 8 27,-2.2 6,-0.3 -3,-0.2 -1,-0.1 0.005 18.6 -99.3 70.1 178.6 26.7 30.2 65.8 12 19 A T S S+ 0 0 89 1,-0.1 318,-0.5 4,-0.1 319,-0.4 -0.031 95.6 93.3-122.2 27.1 29.5 31.9 67.8 13 20 A T S S+ 0 0 44 -3,-0.3 2,-0.2 483,-0.1 -1,-0.1 0.615 89.1 22.1-102.9 -12.9 30.0 35.0 65.6 14 21 A D S S- 0 0 11 -4,-0.2 3,-0.4 314,-0.1 4,-0.3 -0.692 94.4 -81.8-136.2-166.7 27.7 37.4 67.4 15 22 A D S > S+ 0 0 2 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.358 90.3 104.7 -85.1 8.2 26.0 38.1 70.7 16 23 A S H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.922 84.4 41.0 -57.3 -50.4 23.1 35.7 70.2 17 24 A V H > S+ 0 0 11 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.909 113.4 55.9 -64.5 -39.6 24.4 32.9 72.5 18 25 A A H > S+ 0 0 0 -4,-0.3 4,-2.9 310,-0.3 -1,-0.2 0.850 103.2 53.8 -62.6 -37.4 25.5 35.5 75.1 19 26 A Q H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.915 111.1 47.3 -60.1 -43.4 22.0 37.0 75.3 20 27 A C H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.911 112.9 48.3 -62.6 -47.5 20.7 33.6 76.1 21 28 A K H X S+ 0 0 14 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.924 107.1 55.4 -62.1 -45.4 23.4 32.9 78.7 22 29 A G H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.917 110.2 46.4 -53.8 -43.9 22.9 36.2 80.4 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.874 109.5 55.3 -66.8 -35.4 19.2 35.4 80.8 24 31 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.937 111.1 43.0 -62.3 -47.8 20.1 31.9 82.1 25 32 A Y H < S+ 0 0 25 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.2 54.8 -65.2 -33.8 22.4 33.3 84.8 26 33 A S H < S+ 0 0 18 -4,-2.0 -2,-0.2 324,-0.3 -1,-0.2 0.924 115.5 36.7 -61.4 -48.3 19.7 36.0 85.6 27 34 A I H < S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.854 130.3 29.7 -73.9 -40.1 17.0 33.3 86.1 28 35 A C >< - 0 0 6 -4,-2.4 3,-2.3 -5,-0.2 -1,-0.3 -0.787 69.9-173.4-126.0 82.3 19.1 30.7 87.8 29 36 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.778 83.4 48.1 -52.5 -33.8 21.9 32.5 89.7 30 37 A D T 3 S+ 0 0 126 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.393 88.2 123.5 -84.2 -0.6 23.8 29.3 90.7 31 38 A V < - 0 0 6 -3,-2.3 2,-0.5 -7,-0.2 -28,-0.2 -0.186 50.5-149.6 -71.9 152.7 23.7 27.7 87.2 32 39 A T E -a 3 0A 41 -30,-1.9 -28,-2.2 -31,-0.1 2,-0.6 -0.996 13.5-152.4-112.9 124.9 26.6 26.5 85.1 33 40 A V E -a 4 0A 14 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.874 10.0-167.1 -99.6 120.7 26.0 26.8 81.3 34 41 A V E -a 5 0A 3 -30,-3.0 -28,-2.9 -2,-0.6 2,-0.3 -0.940 16.1-135.2-106.6 125.5 27.9 24.2 79.3 35 42 A D E -a 6 0A 39 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.596 20.9-179.5 -74.5 133.8 28.1 24.7 75.5 36 43 A V E - 0 0 8 -30,-3.1 566,-0.3 -2,-0.3 2,-0.3 0.823 65.2 -57.1 -88.7 -73.0 27.5 21.6 73.5 37 44 A C E -a 7 0A 4 -31,-0.5 -29,-1.9 560,-0.1 -1,-0.3 -0.962 36.5-164.4-165.0 159.3 27.9 23.3 70.1 38 45 A H S S+ 0 0 8 558,-0.5 -27,-2.2 -2,-0.3 559,-0.1 0.189 73.6 84.8-129.2 12.8 26.4 26.2 68.2 39 46 A S + 0 0 56 557,-0.4 -30,-0.1 -29,-0.1 558,-0.1 0.354 52.5 132.7-105.2 2.1 27.7 25.4 64.7 40 47 A M S S- 0 0 2 -32,-0.7 -29,-0.1 1,-0.1 3,-0.1 -0.118 73.9 -88.3 -52.0 152.5 25.1 22.9 63.3 41 48 A T > - 0 0 77 3,-0.1 3,-2.0 1,-0.1 7,-0.2 -0.495 58.4-103.4 -58.4 121.4 23.7 23.5 59.8 42 49 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.263 99.4 6.4 -53.4 134.0 20.8 25.8 60.5 43 50 A W T 3 S+ 0 0 69 1,-0.2 2,-1.3 -3,-0.1 3,-0.2 0.413 88.4 128.9 77.5 2.9 17.4 24.0 60.3 44 51 A D <> + 0 0 36 -3,-2.0 4,-2.2 1,-0.2 3,-0.3 -0.723 32.7 179.3 -89.0 91.2 18.9 20.6 59.9 45 52 A V H > S+ 0 0 21 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.858 76.3 56.1 -66.0 -36.0 17.0 18.8 62.7 46 53 A E H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.844 108.9 47.0 -62.7 -38.8 18.6 15.4 62.0 47 54 A E H > S+ 0 0 12 -3,-0.3 4,-1.0 2,-0.2 3,-0.3 0.924 110.8 50.7 -68.9 -48.0 22.1 16.9 62.5 48 55 A G H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.894 105.9 58.1 -54.7 -39.1 21.1 18.7 65.7 49 56 A A H >X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 3,-1.3 0.885 100.4 56.5 -60.3 -39.7 19.7 15.4 67.0 50 57 A R H 3< S+ 0 0 53 -4,-1.2 4,-0.4 -3,-0.3 -1,-0.2 0.780 104.1 53.8 -60.4 -33.2 23.2 13.7 66.6 51 58 A Y T << S+ 0 0 20 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.559 119.0 31.1 -80.3 -9.5 24.8 16.3 68.8 52 59 A I T X4 S+ 0 0 0 -3,-1.3 3,-1.1 -4,-0.5 -2,-0.2 0.592 94.1 84.0-123.3 -18.6 22.3 15.8 71.8 53 60 A V T 3< S+ 0 0 8 -4,-1.8 -3,-0.1 1,-0.3 -2,-0.1 0.824 98.8 38.7 -61.9 -34.7 21.2 12.1 71.7 54 61 A D T 3 S+ 0 0 10 -4,-0.4 4,-0.3 1,-0.2 3,-0.3 0.361 90.2 95.5-100.4 2.3 24.2 10.7 73.6 55 62 A L X> + 0 0 0 -3,-1.1 3,-1.6 1,-0.2 4,-0.7 0.840 62.7 73.6 -65.3 -41.2 24.7 13.6 76.2 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.847 91.5 53.8 -51.7 -44.0 22.8 12.3 79.4 57 64 A R G 34 S+ 0 0 10 30,-0.6 40,-0.3 -3,-0.3 46,-0.2 0.769 107.2 54.3 -67.5 -18.5 25.1 9.7 80.6 58 65 A F G <4 S+ 0 0 0 -3,-1.6 552,-0.3 -4,-0.3 -1,-0.3 0.677 101.3 71.8 -81.3 -18.7 28.0 12.2 80.6 59 66 A F S << S- 0 0 0 -3,-1.4 3,-0.1 -4,-0.7 548,-0.1 -0.666 89.5 -95.8-106.7 153.1 26.3 14.8 82.8 60 67 A P > - 0 0 29 0, 0.0 3,-1.5 0, 0.0 -57,-0.1 -0.299 55.4 -91.0 -56.8 145.1 25.3 15.0 86.5 61 68 A E T 3 S+ 0 0 95 1,-0.2 49,-0.2 -4,-0.1 48,-0.0 -0.319 114.3 38.3 -55.6 141.1 21.8 13.9 87.3 62 69 A G T 3 S+ 0 0 55 47,-3.5 -1,-0.2 1,-0.3 -59,-0.2 0.336 81.0 147.1 96.0 -5.4 19.3 16.8 87.1 63 70 A T < - 0 0 3 -3,-1.5 48,-1.5 46,-0.3 2,-0.5 -0.332 40.2-141.4 -62.2 142.9 21.0 18.5 84.1 64 71 A V E -bc 4 111A 4 -61,-2.4 -59,-2.5 46,-0.2 2,-0.7 -0.935 6.2-148.1-107.2 131.2 18.8 20.3 81.7 65 72 A F E -bc 5 112A 0 46,-3.2 48,-2.8 -2,-0.5 2,-0.8 -0.885 7.8-166.7-102.4 112.3 19.4 20.1 78.0 66 73 A A E +bc 6 113A 0 -61,-2.4 -59,-2.9 -2,-0.7 2,-0.5 -0.879 19.8 171.0 -98.9 106.5 18.5 23.3 76.1 67 74 A T E +b 7 0A 0 46,-2.3 2,-0.3 -2,-0.8 -59,-0.2 -0.975 4.3 167.0-130.2 122.4 18.6 22.2 72.4 68 75 A T E +b 8 0A 0 -61,-2.8 -59,-1.0 -2,-0.5 2,-0.4 -0.950 33.7 155.2-154.1 124.0 17.3 24.3 69.5 69 76 A T - 0 0 0 -2,-0.3 3,-0.2 -61,-0.2 50,-0.1 -0.960 30.5-172.3-123.1 130.8 17.1 25.0 65.9 70 77 A Y > + 0 0 10 -2,-0.4 3,-2.0 1,-0.1 80,-0.2 -0.470 26.8 154.5-127.9 62.0 13.9 27.0 65.5 71 78 A P T 3 S+ 0 0 34 0, 0.0 469,-0.2 0, 0.0 -1,-0.1 0.759 80.2 59.5 -60.9 -19.6 12.9 27.6 61.8 72 79 A A T > S+ 0 0 33 -3,-0.2 3,-1.6 467,-0.1 5,-0.3 0.171 77.9 148.7 -91.1 17.3 9.3 28.0 63.0 73 80 A T T < + 0 0 7 -3,-2.0 467,-0.5 1,-0.2 466,-0.2 -0.200 62.8 22.2 -52.0 136.7 10.3 30.9 65.3 74 81 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.502 99.4 110.0 84.9 2.9 7.5 33.5 65.7 75 82 A T S < S- 0 0 38 -3,-1.6 -1,-0.3 72,-0.1 -3,-0.0 -0.385 89.0 -92.6 -96.7-177.8 4.7 31.1 64.8 76 83 A T S S+ 0 0 133 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.575 88.5 116.8 -74.6 -5.9 2.0 29.7 67.2 77 84 A T - 0 0 42 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.215 50.6-157.0 -57.3 152.9 4.2 26.6 67.8 78 85 A R - 0 0 65 38,-0.1 38,-0.3 1,-0.0 58,-0.1 -0.972 19.4-102.5-132.7 149.7 5.4 26.1 71.4 79 86 A S - 0 0 0 56,-0.4 56,-2.8 -2,-0.3 2,-0.4 -0.090 27.1-131.9 -62.9 162.3 8.3 24.1 72.7 80 87 A V E -DE 114 134A 1 34,-2.7 34,-2.2 54,-0.2 2,-0.4 -0.959 12.9-161.7-113.3 137.9 8.1 20.7 74.3 81 88 A A E -DE 113 133A 0 52,-2.6 52,-2.4 -2,-0.4 2,-0.4 -0.992 16.3-179.0-116.9 129.6 9.8 19.9 77.6 82 89 A V E -DE 112 132A 0 30,-2.7 30,-2.5 -2,-0.4 2,-0.6 -0.961 26.6-142.7-130.8 140.5 10.4 16.2 78.4 83 90 A R E -DE 111 131A 74 48,-2.2 47,-2.8 -2,-0.4 48,-1.0 -0.924 31.6-139.5 -96.6 121.6 11.8 14.2 81.3 84 91 A I E - E 0 129A 0 26,-2.3 26,-0.4 -2,-0.6 45,-0.3 -0.313 5.1-145.9 -80.2 165.3 13.7 11.2 79.7 85 92 A K S S+ 0 0 93 43,-1.3 23,-2.4 42,-0.5 24,-0.4 0.910 74.4 28.9 -93.1 -74.5 13.6 7.7 81.2 86 93 A Q - 0 0 50 41,-2.8 -1,-0.3 21,-0.2 5,-0.1 -0.752 54.4-160.3 -99.1 131.6 16.8 5.8 80.7 87 94 A A S S- 0 0 3 -2,-0.4 -30,-0.6 18,-0.4 -1,-0.1 0.811 79.3 -12.7 -75.6 -31.8 20.2 7.6 80.5 88 95 A A S > S+ 0 0 0 17,-0.2 3,-3.1 -32,-0.1 2,-1.0 0.278 90.9 92.8-128.6-105.7 22.0 4.7 78.8 89 96 A K G > S+ 0 0 152 1,-0.3 3,-1.3 2,-0.3 4,-0.3 -0.090 110.6 32.2 20.2 -69.3 21.2 1.0 78.2 90 97 A G G 3 S+ 0 0 57 -2,-1.0 -1,-0.3 36,-0.3 3,-0.2 0.941 137.2 30.4 -60.1 -50.7 19.6 1.5 74.7 91 98 A G G < S+ 0 0 2 -3,-3.1 -2,-0.3 35,-0.5 -1,-0.3 -0.226 91.7 124.7 -94.0 39.1 22.0 4.4 74.3 92 99 A A < - 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