==== 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 01-AUG-07 2V7T . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CATTLEYA; . AUTHOR X.ZHU,D.O'HAGAN,J.H.NAISMITH . 876 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 19.2 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 . 84 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 13.4 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 6 1 4 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 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 . 9 0 6 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 0 269 0, 0.0 30,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 -53.7 24.6 22.2 90.5 2 9 A P - 0 0 36 0, 0.0 30,-2.0 0, 0.0 2,-0.4 -0.311 360.0-160.4 -68.7 145.6 22.2 22.5 87.6 3 10 A I E -a 32 0A 9 28,-0.2 61,-2.6 59,-0.2 2,-0.5 -0.984 12.0-167.1-126.9 134.4 23.5 22.0 84.1 4 11 A I E -ab 33 64A 0 28,-2.4 30,-3.0 -2,-0.4 2,-0.6 -0.992 9.8-157.8-112.9 124.1 22.0 23.0 80.7 5 12 A A E -ab 34 65A 0 59,-2.8 61,-2.2 -2,-0.5 2,-0.5 -0.921 16.2-157.1-104.8 118.5 23.6 21.5 77.7 6 13 A F E +ab 35 66A 0 28,-2.6 30,-3.0 -2,-0.6 31,-0.7 -0.857 19.3 173.8-114.1 118.1 22.8 23.7 74.7 7 14 A M E +ab 37 67A 0 59,-2.7 61,-2.8 -2,-0.5 2,-0.2 -0.994 20.1 151.5-123.7 120.3 22.8 22.6 71.1 8 15 A S E - b 0 68A 0 29,-1.7 32,-0.7 -2,-0.5 3,-0.2 -0.852 54.3-124.5-139.6 175.6 21.7 25.1 68.4 9 16 A D S S+ 0 0 1 59,-0.7 29,-0.1 -2,-0.2 60,-0.1 0.012 81.1 106.7-104.9 22.5 22.0 26.2 64.8 10 17 A L - 0 0 1 58,-0.2 3,-0.3 1,-0.2 6,-0.2 0.658 69.1-148.2 -77.9 -20.4 22.9 29.8 65.9 11 18 A G - 0 0 8 27,-2.0 6,-0.3 -3,-0.2 -1,-0.2 -0.125 20.6 -99.3 73.7-175.6 26.6 29.6 65.0 12 19 A T S S+ 0 0 76 4,-0.1 318,-0.5 1,-0.1 319,-0.3 -0.106 94.5 96.1-133.3 29.2 29.5 31.4 66.9 13 20 A T S S+ 0 0 49 -3,-0.3 2,-0.2 483,-0.1 -2,-0.1 0.444 91.2 21.1-101.5 -4.0 29.9 34.3 64.5 14 21 A D S S- 0 0 10 314,-0.2 3,-0.4 -4,-0.2 4,-0.3 -0.830 93.9 -86.0-144.7-172.7 27.7 36.7 66.5 15 22 A D S > S+ 0 0 0 -2,-0.2 4,-2.0 1,-0.2 314,-0.1 0.276 86.9 109.5 -82.2 9.3 26.3 37.3 70.0 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 81.9 42.2 -54.6 -51.1 23.2 35.1 69.5 17 24 A V H > S+ 0 0 11 -3,-0.4 4,-2.5 -6,-0.3 -1,-0.2 0.882 111.1 57.7 -64.6 -40.4 24.2 32.2 71.8 18 25 A A H > S+ 0 0 0 310,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.862 102.4 54.7 -57.1 -35.9 25.5 34.8 74.3 19 26 A Q H X S+ 0 0 1 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.922 109.3 47.1 -65.6 -43.7 22.0 36.3 74.5 20 27 A C H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.932 112.3 50.1 -60.0 -47.8 20.5 32.9 75.3 21 28 A K H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.891 106.0 56.1 -57.9 -43.6 23.2 32.3 78.0 22 29 A G H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.904 110.5 44.7 -55.0 -46.0 22.5 35.7 79.5 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.861 110.5 55.2 -67.1 -37.6 18.8 34.7 80.0 24 31 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.932 111.6 42.7 -61.9 -47.6 19.8 31.2 81.3 25 32 A Y H < S+ 0 0 25 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.813 112.6 55.6 -64.4 -33.1 22.0 32.8 84.0 26 33 A S H < S+ 0 0 19 -4,-1.8 -2,-0.2 324,-0.3 -1,-0.2 0.939 116.4 35.1 -63.8 -46.4 19.3 35.4 84.7 27 34 A I H < S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.882 131.5 28.5 -77.1 -42.6 16.6 32.7 85.3 28 35 A C >< - 0 0 6 -4,-2.7 3,-2.4 -5,-0.2 -1,-0.3 -0.745 69.3-175.3-124.0 81.3 18.8 30.0 87.0 29 36 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 82.9 48.2 -51.8 -33.5 21.7 31.9 88.8 30 37 A D T 3 S+ 0 0 128 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.403 88.2 121.6 -87.3 -2.2 23.5 28.7 89.9 31 38 A V < - 0 0 7 -3,-2.4 2,-0.5 -7,-0.2 -28,-0.2 -0.164 52.6-146.9 -66.6 155.5 23.4 27.0 86.4 32 39 A T E -a 3 0A 41 -30,-2.0 -28,-2.4 -31,-0.1 2,-0.6 -0.998 13.5-152.2-115.1 123.3 26.3 25.8 84.4 33 40 A V E -a 4 0A 15 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.891 9.8-166.5 -98.2 123.0 25.7 26.1 80.6 34 41 A V E -a 5 0A 3 -30,-3.0 -28,-2.6 -2,-0.6 2,-0.4 -0.942 17.5-133.4-108.8 120.4 27.7 23.6 78.5 35 42 A D E -a 6 0A 40 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.603 21.2-178.3 -68.9 126.1 27.9 24.2 74.8 36 43 A V E - 0 0 8 -30,-3.0 566,-0.4 -2,-0.4 2,-0.2 0.916 63.7 -62.7 -81.9 -66.3 27.2 21.0 72.8 37 44 A C E -a 7 0A 7 -31,-0.7 -29,-1.7 560,-0.1 -1,-0.3 -0.872 33.7-159.2-172.6 162.0 27.7 22.7 69.5 38 45 A H S S+ 0 0 8 558,-0.5 -27,-2.0 -2,-0.2 559,-0.1 0.148 73.2 89.7-130.1 20.3 26.3 25.5 67.4 39 46 A S + 0 0 54 557,-0.3 -30,-0.1 -29,-0.1 -1,-0.1 0.343 49.6 128.3-105.9 -3.8 27.6 24.5 64.0 40 47 A M S S- 0 0 2 -32,-0.7 -29,-0.1 1,-0.1 558,-0.1 -0.163 74.3 -92.5 -54.9 149.6 24.9 22.2 62.6 41 48 A T > - 0 0 76 3,-0.1 3,-1.8 1,-0.1 7,-0.2 -0.571 57.2-102.4 -57.9 119.7 23.5 22.9 59.1 42 49 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.287 100.4 6.2 -45.0 124.2 20.4 25.2 59.8 43 50 A W T 3 S+ 0 0 54 1,-0.2 2,-1.3 2,-0.0 3,-0.2 0.360 89.8 126.9 108.4 4.0 17.1 23.4 59.6 44 51 A D <> + 0 0 39 -3,-1.8 4,-2.3 1,-0.2 3,-0.4 -0.719 31.8 177.2 -88.1 87.8 18.7 19.9 59.2 45 52 A V H > S+ 0 0 17 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.823 75.7 58.7 -65.4 -31.5 16.9 18.1 62.0 46 53 A E H > S+ 0 0 92 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.867 109.5 44.1 -63.4 -39.5 18.5 14.7 61.1 47 54 A E H > S+ 0 0 11 -3,-0.4 4,-1.1 2,-0.2 3,-0.2 0.912 111.7 52.0 -73.5 -46.3 22.0 16.2 61.7 48 55 A G H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.901 104.9 57.9 -50.2 -46.5 20.9 18.0 64.8 49 56 A A H >X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.3 3,-1.6 0.877 100.0 58.0 -53.8 -43.0 19.6 14.7 66.2 50 57 A R H 3< S+ 0 0 51 -4,-1.2 4,-0.4 1,-0.3 -1,-0.3 0.812 103.8 52.4 -58.3 -34.5 23.1 13.2 65.7 51 58 A Y T << S+ 0 0 16 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.515 119.0 32.8 -80.7 -5.7 24.6 15.8 68.0 52 59 A I T X4 S+ 0 0 0 -3,-1.6 3,-0.8 -4,-0.4 -2,-0.2 0.596 96.0 77.1-123.8 -17.5 22.2 15.2 70.9 53 60 A V T 3< S+ 0 0 8 -4,-1.8 -3,-0.1 1,-0.2 -2,-0.1 0.815 97.4 46.9 -73.8 -27.7 21.2 11.5 70.9 54 61 A D T 3 S+ 0 0 30 -4,-0.4 3,-0.3 1,-0.2 4,-0.3 0.495 91.2 89.9 -91.4 -5.2 24.4 10.2 72.5 55 62 A L X> + 0 0 0 -3,-0.8 3,-1.6 1,-0.2 4,-0.7 0.788 61.9 73.4 -66.7 -41.3 24.6 12.8 75.3 56 63 A P G >4 S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.843 91.4 54.3 -53.8 -45.1 22.7 11.6 78.4 57 64 A R G 34 S+ 0 0 10 30,-0.5 40,-0.3 31,-0.3 46,-0.2 0.685 106.9 54.7 -65.8 -17.5 25.1 8.9 79.8 58 65 A F G <4 S+ 0 0 0 -3,-1.6 552,-0.3 -4,-0.3 -1,-0.3 0.693 100.6 72.4 -83.5 -19.5 27.9 11.4 79.8 59 66 A F S << S- 0 0 0 -3,-1.5 548,-0.1 -4,-0.7 3,-0.1 -0.631 88.9 -96.0-107.5 152.5 26.1 14.0 82.0 60 67 A P > - 0 0 28 0, 0.0 3,-1.5 0, 0.0 -57,-0.1 -0.309 54.4 -92.9 -56.6 144.0 25.1 14.3 85.7 61 68 A E T 3 S+ 0 0 94 1,-0.2 49,-0.2 -4,-0.1 3,-0.1 -0.301 114.2 40.8 -56.4 141.1 21.5 13.2 86.4 62 69 A G T 3 S+ 0 0 54 47,-3.3 -1,-0.2 1,-0.3 -59,-0.2 0.330 80.4 146.8 97.9 -6.6 19.1 16.2 86.3 63 70 A T < - 0 0 2 -3,-1.5 48,-1.5 46,-0.2 2,-0.5 -0.358 39.8-143.4 -63.9 138.0 20.8 17.7 83.3 64 71 A V E -bc 4 111A 3 -61,-2.6 -59,-2.8 46,-0.2 2,-0.7 -0.906 5.0-149.1-105.6 130.4 18.5 19.6 80.9 65 72 A F E -bc 5 112A 0 46,-3.6 48,-2.6 -2,-0.5 2,-0.8 -0.912 7.8-166.4-102.1 112.7 19.2 19.4 77.1 66 73 A A E +bc 6 113A 0 -61,-2.2 -59,-2.7 -2,-0.7 2,-0.5 -0.897 19.1 174.6 -97.8 109.1 18.2 22.6 75.3 67 74 A T E +b 7 0A 0 46,-2.7 2,-0.4 -2,-0.8 -59,-0.2 -0.964 1.7 168.6-130.8 121.3 18.3 21.6 71.7 68 75 A T E +b 8 0A 1 -61,-2.8 -59,-0.7 -2,-0.5 2,-0.3 -0.969 33.9 151.9-148.7 130.6 17.2 23.7 68.7 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.911 30.7-173.2-131.6 126.5 16.9 24.4 65.1 70 77 A Y > + 0 0 1 -2,-0.3 3,-2.0 1,-0.2 80,-0.2 -0.432 26.3 153.2-125.1 60.6 13.7 26.4 64.6 71 78 A P T 3 S+ 0 0 30 0, 0.0 469,-0.2 0, 0.0 -1,-0.2 0.716 80.6 58.9 -61.7 -19.1 12.8 27.0 60.9 72 79 A A T > S+ 0 0 34 -3,-0.2 3,-1.4 467,-0.1 5,-0.3 0.114 80.0 147.6 -92.9 19.9 9.1 27.3 62.1 73 80 A T T < + 0 0 0 -3,-2.0 467,-0.5 1,-0.2 466,-0.2 -0.197 60.3 24.9 -54.8 142.6 10.0 30.2 64.4 74 81 A G T 3 S+ 0 0 21 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.506 99.5 108.7 81.0 2.4 7.3 32.9 64.9 75 82 A T S < S- 0 0 38 -3,-1.4 -1,-0.3 72,-0.1 -3,-0.0 -0.412 90.0 -93.6 -98.6-178.2 4.5 30.5 64.0 76 83 A T S S+ 0 0 132 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.502 86.9 119.6 -77.7 -3.4 1.9 29.0 66.4 77 84 A T - 0 0 42 -5,-0.3 2,-0.4 1,-0.0 -3,-0.1 -0.246 50.0-155.4 -57.7 150.7 4.1 25.9 66.9 78 85 A R - 0 0 66 38,-0.1 38,-0.4 1,-0.0 58,-0.1 -0.968 17.2-104.4-130.2 150.0 5.2 25.3 70.4 79 86 A S - 0 0 0 56,-0.5 56,-2.6 -2,-0.4 2,-0.4 -0.168 26.9-130.7 -64.9 161.0 8.2 23.4 71.8 80 87 A V E -DE 114 134A 2 34,-2.8 34,-2.2 54,-0.2 2,-0.5 -0.931 14.1-162.2-112.1 137.4 8.0 19.9 73.3 81 88 A A E -DE 113 133A 0 52,-2.5 52,-2.5 -2,-0.4 2,-0.4 -0.994 16.1-178.1-120.6 125.6 9.6 19.1 76.7 82 89 A V E -DE 112 132A 0 30,-2.9 30,-2.3 -2,-0.5 2,-0.7 -0.952 28.1-144.4-128.7 140.9 10.2 15.4 77.5 83 90 A R E -DE 111 131A 66 48,-2.3 47,-3.2 -2,-0.4 48,-1.1 -0.936 32.9-141.4 -98.0 115.3 11.6 13.4 80.4 84 91 A I E - E 0 129A 0 26,-2.0 26,-0.5 -2,-0.7 24,-0.4 -0.317 4.6-146.1 -76.6 160.2 13.4 10.5 78.8 85 92 A K S S+ 0 0 91 43,-1.4 23,-2.4 42,-0.5 24,-0.5 0.934 75.1 35.0 -90.3 -76.9 13.3 7.0 80.2 86 93 A Q - 0 0 59 41,-2.8 -1,-0.2 21,-0.2 21,-0.1 -0.668 58.0-153.1 -89.6 126.5 16.6 5.2 79.7 87 94 A A - 0 0 1 -2,-0.4 -30,-0.5 18,-0.4 -1,-0.2 0.876 46.5-147.1 -60.7 -38.4 19.9 7.1 79.8 88 95 A A - 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