==== 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 06-DEC-03 1RQP . 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) . 31545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 67.5 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 . 169 19.3 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 . 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 . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 12.9 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 8 1 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 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 . 9 0 6 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 0 189 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 77.3 24.7 23.1 90.9 2 9 A P - 0 0 35 0, 0.0 30,-1.7 0, 0.0 2,-0.4 -0.215 360.0-156.0 -64.6 144.1 22.4 23.0 87.8 3 10 A I E -a 32 0A 10 28,-0.2 61,-2.4 59,-0.1 2,-0.5 -0.976 8.9-167.5-116.2 135.7 23.8 22.5 84.3 4 11 A I E -ab 33 64A 0 28,-2.3 30,-2.8 -2,-0.4 2,-0.5 -0.994 11.1-156.0-113.1 127.9 22.1 23.5 81.0 5 12 A A E -ab 34 65A 0 59,-2.7 61,-2.8 -2,-0.5 2,-0.5 -0.921 16.0-155.6-104.2 125.9 23.8 22.0 78.0 6 13 A F E +ab 35 66A 0 28,-2.8 30,-2.8 -2,-0.5 31,-0.5 -0.914 20.8 172.6-121.0 115.6 23.1 24.2 75.0 7 14 A M E +ab 37 67A 0 59,-2.6 61,-2.7 -2,-0.5 2,-0.3 -0.990 21.1 149.7-119.1 123.4 23.1 23.1 71.3 8 15 A S E - b 0 68A 0 29,-2.1 32,-0.8 -2,-0.4 61,-0.2 -0.864 54.2-124.5-139.3 179.4 21.9 25.6 68.7 9 16 A D S S+ 0 0 0 59,-0.8 29,-0.1 -2,-0.3 60,-0.1 0.001 78.4 108.7-108.4 24.5 22.2 26.8 65.1 10 17 A L S S- 0 0 0 58,-0.2 3,-0.3 1,-0.2 6,-0.2 0.635 71.2-141.1 -81.1 -12.0 22.9 30.4 66.2 11 18 A G - 0 0 8 27,-1.9 6,-0.3 -3,-0.2 -1,-0.2 -0.094 16.1 -97.4 77.1 177.0 26.6 30.3 65.2 12 19 A T S S+ 0 0 74 1,-0.1 318,-0.4 4,-0.1 319,-0.3 -0.013 96.6 87.6-119.8 22.1 29.7 31.8 66.8 13 20 A T S S+ 0 0 45 -3,-0.3 2,-0.2 483,-0.1 -2,-0.1 0.506 91.4 19.4-111.3 -2.6 30.0 35.0 64.8 14 21 A D S S- 0 0 11 -4,-0.2 3,-0.4 314,-0.2 4,-0.3 -0.748 93.6 -80.4-145.9-164.7 27.8 37.4 66.8 15 22 A D S > S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.292 87.3 108.7 -90.3 9.3 26.3 37.9 70.2 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.912 81.4 43.7 -57.4 -49.4 23.3 35.6 69.7 17 24 A V H > S+ 0 0 14 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.913 111.9 55.8 -63.2 -37.6 24.4 32.9 72.0 18 25 A A H > S+ 0 0 0 310,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.813 101.5 55.5 -66.5 -35.4 25.5 35.4 74.6 19 26 A Q H X S+ 0 0 2 -4,-2.0 4,-1.6 -3,-0.3 -1,-0.3 0.894 109.8 47.9 -60.9 -45.5 22.1 37.0 74.8 20 27 A C H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.938 112.3 48.4 -55.5 -51.3 20.7 33.5 75.6 21 28 A K H X S+ 0 0 15 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.877 105.7 58.2 -61.8 -42.3 23.4 32.9 78.3 22 29 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.936 110.2 43.5 -51.9 -46.4 22.8 36.3 79.8 23 30 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.888 110.0 56.2 -69.4 -36.8 19.1 35.4 80.4 24 31 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.934 111.5 42.6 -60.8 -45.2 20.1 31.9 81.6 25 32 A Y H < S+ 0 0 24 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.778 112.7 56.3 -67.0 -29.5 22.3 33.4 84.4 26 33 A S H < S+ 0 0 19 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.958 115.3 34.7 -66.7 -47.6 19.6 36.0 85.0 27 34 A I H < S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.843 131.6 28.9 -77.4 -38.0 16.9 33.3 85.7 28 35 A C >< - 0 0 6 -4,-2.3 3,-2.2 -5,-0.2 -1,-0.3 -0.803 69.3-175.3-129.9 83.0 19.1 30.7 87.4 29 36 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.727 82.6 50.6 -58.4 -27.5 22.0 32.5 89.1 30 37 A D T 3 S+ 0 0 102 2,-0.1 -5,-0.1 -27,-0.0 134,-0.0 0.389 87.3 123.7 -87.3 -0.5 23.8 29.3 90.2 31 38 A V < - 0 0 7 -3,-2.2 2,-0.5 -7,-0.2 -28,-0.2 -0.178 50.6-149.6 -73.4 151.8 23.7 27.7 86.7 32 39 A T E -a 3 0A 42 -30,-1.7 -28,-2.3 -31,-0.1 2,-0.6 -0.991 14.4-152.0-110.4 124.2 26.6 26.4 84.6 33 40 A V E -a 4 0A 14 -2,-0.5 2,-0.6 -30,-0.2 -28,-0.2 -0.900 9.0-165.0-103.4 120.9 26.0 26.7 80.9 34 41 A V E -a 5 0A 2 -30,-2.8 -28,-2.8 -2,-0.6 2,-0.3 -0.920 14.5-137.0-104.2 121.0 27.9 24.1 78.8 35 42 A D E +a 6 0A 38 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.576 21.9 177.8 -73.6 127.4 28.1 24.7 75.0 36 43 A V E - 0 0 11 -30,-2.8 566,-0.3 -2,-0.3 2,-0.3 0.837 64.6 -55.9 -87.4 -70.7 27.5 21.5 73.0 37 44 A C E -a 7 0A 6 -31,-0.5 -29,-2.1 560,-0.1 -1,-0.3 -0.966 36.0-167.3-167.9 155.7 27.9 23.2 69.6 38 45 A H S S+ 0 0 11 558,-0.5 -27,-1.9 -2,-0.3 559,-0.1 0.181 72.4 89.2-130.3 15.7 26.4 26.1 67.7 39 46 A S + 0 0 51 557,-0.3 -30,-0.1 -29,-0.1 558,-0.1 0.345 52.0 130.5-101.5 -1.2 27.8 25.3 64.3 40 47 A M S S- 0 0 2 -32,-0.8 -29,-0.1 1,-0.1 3,-0.1 -0.139 72.4 -93.9 -55.4 147.3 25.1 23.0 62.8 41 48 A T > - 0 0 75 1,-0.1 3,-1.7 3,-0.1 7,-0.2 -0.514 56.7-102.8 -54.2 121.1 23.7 23.6 59.4 42 49 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.199 98.3 7.4 -54.1 136.5 20.7 25.7 60.0 43 50 A W T 3 S+ 0 0 53 1,-0.2 2,-1.3 -3,-0.1 3,-0.1 0.412 88.4 127.9 77.3 5.2 17.3 23.9 59.8 44 51 A D <> + 0 0 38 -3,-1.7 4,-2.2 1,-0.2 3,-0.4 -0.673 31.7 177.6 -95.8 88.0 18.9 20.5 59.5 45 52 A V H > S+ 0 0 18 -2,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.802 76.6 56.7 -66.4 -30.0 17.0 18.6 62.2 46 53 A E H > S+ 0 0 92 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.877 108.7 47.1 -69.8 -35.4 18.6 15.3 61.5 47 54 A E H > S+ 0 0 16 -3,-0.4 4,-1.0 2,-0.2 3,-0.3 0.928 111.4 50.1 -67.9 -47.3 22.1 16.8 62.0 48 55 A G H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.5 0.886 105.6 58.9 -56.9 -39.1 21.1 18.5 65.2 49 56 A A H >X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 3,-1.5 0.907 100.6 55.5 -58.5 -40.3 19.7 15.2 66.4 50 57 A R H 3< S+ 0 0 56 -4,-1.2 4,-0.4 -3,-0.3 -1,-0.2 0.783 104.1 54.3 -65.7 -27.5 23.1 13.6 66.0 51 58 A Y T << S+ 0 0 20 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.533 118.2 32.9 -83.7 -8.3 24.8 16.2 68.3 52 59 A I T X4 S+ 0 0 0 -3,-1.5 3,-1.1 -4,-0.5 -2,-0.2 0.635 95.0 77.9-122.0 -20.3 22.4 15.6 71.1 53 60 A V T 3< S+ 0 0 9 -4,-2.0 -3,-0.1 1,-0.2 -2,-0.1 0.800 98.2 47.1 -63.1 -30.6 21.3 11.9 71.2 54 61 A D T 3 S+ 0 0 32 -4,-0.4 4,-0.4 1,-0.2 3,-0.3 0.456 90.7 89.1 -92.1 -2.4 24.5 10.7 72.9 55 62 A L X> + 0 0 0 -3,-1.1 3,-1.5 1,-0.2 4,-0.6 0.848 63.2 73.2 -72.4 -40.4 24.7 13.4 75.6 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.824 91.7 54.8 -51.3 -45.5 22.8 12.1 78.7 57 64 A R G 34 S+ 0 0 9 30,-0.5 40,-0.2 -3,-0.3 46,-0.1 0.796 106.3 55.0 -63.3 -21.6 25.2 9.4 80.0 58 65 A F G <4 S+ 0 0 0 -3,-1.5 552,-0.3 -4,-0.4 -1,-0.3 0.694 100.1 72.0 -77.8 -22.4 28.0 12.0 80.1 59 66 A F S << S- 0 0 0 -3,-1.4 548,-0.1 -4,-0.6 3,-0.1 -0.672 88.1 -95.4-105.1 151.5 26.3 14.6 82.3 60 67 A P > - 0 0 21 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.208 54.3 -91.8 -57.0 144.9 25.3 14.8 85.9 61 68 A E T 3 S+ 0 0 96 1,-0.2 49,-0.2 -4,-0.1 48,-0.0 -0.324 114.4 38.8 -56.4 141.6 21.8 13.7 86.7 62 69 A G T 3 S+ 0 0 57 47,-3.5 -1,-0.2 1,-0.3 48,-0.1 0.290 80.7 147.0 94.3 -8.7 19.4 16.6 86.6 63 70 A T < - 0 0 2 -3,-1.8 48,-1.6 46,-0.3 2,-0.5 -0.319 40.2-142.4 -58.7 135.3 21.1 18.2 83.6 64 71 A V E -bc 4 111A 4 -61,-2.4 -59,-2.7 46,-0.2 2,-0.7 -0.942 5.9-149.4-101.1 126.2 18.8 20.2 81.2 65 72 A F E -bc 5 112A 0 46,-3.4 48,-2.9 -2,-0.5 2,-0.8 -0.840 8.1-166.3 -98.5 113.6 19.5 19.9 77.5 66 73 A A E +bc 6 113A 0 -61,-2.8 -59,-2.6 -2,-0.7 2,-0.5 -0.894 19.2 173.4-101.3 107.4 18.4 23.1 75.6 67 74 A T E +b 7 0A 0 46,-2.6 2,-0.4 -2,-0.8 -59,-0.2 -0.968 2.0 168.8-129.9 125.0 18.5 22.1 72.0 68 75 A T E +b 8 0A 0 -61,-2.7 -59,-0.8 -2,-0.5 2,-0.3 -0.962 34.3 152.3-154.2 128.5 17.4 24.2 69.0 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.948 31.6-173.0-126.9 129.6 17.1 24.9 65.4 70 77 A Y > + 0 0 2 -2,-0.3 3,-2.1 1,-0.1 80,-0.2 -0.415 26.0 155.3-129.3 59.7 13.9 26.9 65.0 71 78 A P T 3 S+ 0 0 30 0, 0.0 469,-0.2 0, 0.0 -1,-0.1 0.751 81.1 58.6 -59.0 -23.5 12.8 27.6 61.3 72 79 A A T > S+ 0 0 36 -3,-0.2 3,-1.7 467,-0.1 5,-0.3 0.126 77.3 148.0 -90.8 23.3 9.2 27.9 62.6 73 80 A T T < + 0 0 0 -3,-2.1 467,-0.5 1,-0.2 466,-0.2 -0.270 63.0 23.9 -57.2 139.1 10.2 30.8 64.9 74 81 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.396 99.4 106.0 85.4 0.3 7.4 33.4 65.3 75 82 A T S < S- 0 0 38 -3,-1.7 -1,-0.3 72,-0.1 -3,-0.0 -0.383 90.4 -90.3 -97.8-177.3 4.5 31.0 64.4 76 83 A T S S+ 0 0 132 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.549 87.9 117.3 -73.2 -3.9 1.9 29.4 66.8 77 84 A T - 0 0 40 -5,-0.3 2,-0.4 1,-0.0 -3,-0.1 -0.257 51.1-155.0 -62.5 152.5 4.1 26.4 67.4 78 85 A R - 0 0 62 38,-0.1 38,-0.3 1,-0.0 58,-0.1 -0.982 18.1-104.2-131.7 146.2 5.4 25.8 70.9 79 86 A S - 0 0 0 56,-0.4 56,-2.5 -2,-0.4 2,-0.4 -0.063 28.7-131.7 -61.9 158.9 8.4 24.0 72.2 80 87 A V E -DE 114 134A 2 34,-2.9 34,-2.5 54,-0.2 2,-0.4 -0.945 13.1-162.5-112.9 139.4 8.2 20.5 73.8 81 88 A A E +DE 113 133A 0 52,-2.5 52,-2.6 -2,-0.4 2,-0.4 -0.997 16.4 178.0-121.1 126.6 9.8 19.7 77.1 82 89 A V E -DE 112 132A 0 30,-2.6 30,-2.8 -2,-0.4 2,-0.6 -0.969 28.0-141.8-132.4 143.8 10.4 16.0 77.9 83 90 A R E -DE 111 131A 70 48,-2.1 47,-2.7 -2,-0.4 48,-1.0 -0.924 31.6-138.0 -99.7 120.1 11.9 14.0 80.7 84 91 A I E - E 0 129A 0 26,-2.2 26,-0.4 -2,-0.6 45,-0.3 -0.269 5.3-146.8 -74.9 163.8 13.7 11.0 79.2 85 92 A K S S+ 0 0 94 43,-1.2 23,-2.2 42,-0.5 24,-0.4 0.844 75.8 32.8 -95.1 -75.1 13.5 7.5 80.7 86 93 A Q - 0 0 70 41,-2.9 -1,-0.3 21,-0.2 21,-0.1 -0.701 57.9-154.7 -93.7 132.7 16.8 5.6 80.1 87 94 A A - 0 0 2 -2,-0.4 -30,-0.5 18,-0.4 -1,-0.2 0.875 45.5-147.6 -70.7 -38.4 20.1 7.5 80.0 88 95 A A - 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