==== 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 2V7U . COMPND 2 MOLECULE: 5'-FLUORO-5'-DEOXY ADENOSINE SYNTHETASE; . 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) . 31256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.5 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 . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.6 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 3 4 3 4 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 . 3 3 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 0 238 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-139.4 24.4 22.4 90.9 2 9 A P - 0 0 31 0, 0.0 30,-1.8 0, 0.0 2,-0.4 -0.119 360.0-164.2 -67.2 145.6 22.3 22.8 87.8 3 10 A I E -a 32 0A 8 28,-0.2 61,-2.4 59,-0.2 2,-0.5 -0.983 8.6-167.2-122.3 134.5 23.6 22.3 84.2 4 11 A I E -ab 33 64A 0 28,-2.3 30,-3.0 -2,-0.4 2,-0.6 -0.993 10.3-156.9-113.9 121.1 22.1 23.3 80.9 5 12 A A E -ab 34 65A 0 59,-2.5 61,-2.7 -2,-0.5 2,-0.5 -0.914 16.3-155.7 -98.0 124.3 23.7 21.8 77.8 6 13 A F E +ab 35 66A 0 28,-2.9 30,-3.1 -2,-0.6 31,-0.6 -0.883 19.6 173.6-117.0 116.8 22.9 24.0 74.9 7 14 A M E +ab 37 67A 0 59,-2.7 61,-2.9 -2,-0.5 2,-0.3 -0.990 19.8 149.8-122.2 120.6 22.9 22.9 71.2 8 15 A S E - b 0 68A 0 29,-2.0 32,-0.7 -2,-0.4 3,-0.2 -0.837 54.8-123.5-139.2 179.4 21.7 25.3 68.5 9 16 A D S S+ 0 0 0 59,-0.5 29,-0.1 -2,-0.3 60,-0.1 0.067 81.3 105.0-105.7 22.5 22.0 26.5 64.9 10 17 A L - 0 0 1 58,-0.2 3,-0.4 1,-0.2 6,-0.2 0.659 68.7-150.6 -82.0 -18.8 22.9 30.0 66.0 11 18 A G - 0 0 10 27,-2.1 6,-0.3 -3,-0.2 -1,-0.2 -0.122 23.4 -96.0 74.2-174.2 26.7 29.8 65.2 12 19 A T S S+ 0 0 73 4,-0.1 318,-0.5 1,-0.1 319,-0.3 -0.120 93.8 98.9-131.6 33.6 29.4 31.7 66.9 13 20 A T S S+ 0 0 47 -3,-0.4 2,-0.2 483,-0.1 -2,-0.1 0.440 89.8 19.1-101.4 -5.1 29.8 34.7 64.6 14 21 A D S S- 0 0 11 -4,-0.2 3,-0.4 314,-0.1 4,-0.3 -0.822 94.5 -82.5-144.9-168.3 27.6 37.1 66.6 15 22 A D S > S+ 0 0 1 -2,-0.2 4,-2.0 1,-0.2 314,-0.1 0.278 87.8 108.0 -84.7 12.2 26.2 37.7 70.1 16 23 A S H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 81.6 42.8 -59.1 -50.6 23.1 35.3 69.6 17 24 A V H > S+ 0 0 11 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.882 112.4 55.7 -63.6 -39.6 24.3 32.5 71.9 18 25 A A H > S+ 0 0 1 310,-0.4 4,-2.7 -4,-0.3 -1,-0.2 0.856 102.3 56.2 -63.8 -34.2 25.5 35.1 74.5 19 26 A Q H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.927 109.9 45.8 -60.2 -44.8 21.9 36.6 74.6 20 27 A C H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.890 112.9 49.3 -63.1 -45.1 20.5 33.2 75.5 21 28 A K H X S+ 0 0 15 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.903 106.2 56.4 -62.5 -43.6 23.2 32.6 78.1 22 29 A G H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.939 111.1 44.6 -51.5 -47.7 22.6 36.0 79.7 23 30 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.867 109.7 55.3 -67.7 -37.1 19.0 35.1 80.1 24 31 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 111.6 43.5 -60.8 -45.3 19.9 31.6 81.5 25 32 A Y H < S+ 0 0 23 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.805 112.1 54.9 -67.2 -33.9 22.1 33.1 84.2 26 33 A S H < S+ 0 0 27 -4,-1.9 -2,-0.2 324,-0.3 -1,-0.2 0.945 116.6 35.8 -61.3 -48.3 19.4 35.7 84.9 27 34 A I H < S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.860 131.9 27.6 -76.5 -39.3 16.7 33.0 85.5 28 35 A C >< - 0 0 6 -4,-2.5 3,-2.3 -5,-0.2 -1,-0.3 -0.749 68.6-175.5-129.3 81.0 19.0 30.4 87.2 29 36 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 83.3 49.9 -52.6 -31.9 21.9 32.2 88.9 30 37 A D T 3 S+ 0 0 121 2,-0.1 -5,-0.1 -27,-0.0 -2,-0.0 0.369 88.2 122.9 -86.9 0.8 23.6 29.0 90.0 31 38 A V < - 0 0 8 -3,-2.3 2,-0.5 -7,-0.2 -28,-0.2 -0.207 51.1-150.3 -70.1 153.3 23.5 27.4 86.5 32 39 A T E -a 3 0A 40 -30,-1.8 -28,-2.3 -31,-0.1 2,-0.6 -0.999 13.8-152.5-115.1 123.0 26.5 26.1 84.4 33 40 A V E -a 4 0A 15 -2,-0.5 2,-0.5 -30,-0.2 -28,-0.2 -0.896 9.2-165.7 -99.7 121.9 25.8 26.4 80.7 34 41 A V E -a 5 0A 3 -30,-3.0 -28,-2.9 -2,-0.6 2,-0.4 -0.935 16.5-134.0-106.8 123.0 27.7 23.9 78.6 35 42 A D E +a 6 0A 41 -2,-0.5 -28,-0.2 -30,-0.2 3,-0.1 -0.655 22.2 179.6 -73.0 129.1 28.0 24.4 74.9 36 43 A V E - 0 0 9 -30,-3.1 566,-0.4 -2,-0.4 2,-0.3 0.878 64.6 -55.6 -87.1 -67.7 27.2 21.2 72.9 37 44 A C E -a 7 0A 4 -31,-0.6 -29,-2.0 560,-0.1 -1,-0.3 -0.940 36.3-165.6-170.9 154.7 27.7 22.9 69.6 38 45 A H S S+ 0 0 8 558,-0.5 -27,-2.1 -2,-0.3 559,-0.1 0.248 73.3 85.1-125.7 16.2 26.3 25.8 67.6 39 46 A S + 0 0 53 557,-0.4 -30,-0.1 -29,-0.1 558,-0.1 0.303 52.3 130.0-109.0 2.0 27.6 24.9 64.1 40 47 A M S S- 0 0 2 -32,-0.7 3,-0.1 1,-0.1 -29,-0.1 -0.174 73.1 -91.4 -55.0 151.7 24.9 22.5 62.7 41 48 A T > - 0 0 79 3,-0.1 3,-1.7 1,-0.1 7,-0.2 -0.545 56.6-103.2 -59.3 121.9 23.5 23.2 59.2 42 49 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.253 98.7 7.4 -53.5 135.1 20.5 25.4 59.9 43 50 A W T 3 S+ 0 0 55 1,-0.2 2,-1.2 -3,-0.1 3,-0.1 0.436 89.2 126.8 76.7 5.5 17.1 23.6 59.7 44 51 A D <> + 0 0 39 -3,-1.7 4,-2.1 1,-0.2 3,-0.3 -0.739 32.6 177.7 -95.9 89.4 18.7 20.1 59.3 45 52 A V H > S+ 0 0 19 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.844 76.1 57.7 -66.5 -34.2 16.8 18.3 62.1 46 53 A E H > S+ 0 0 87 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.873 109.2 45.7 -62.6 -40.4 18.5 14.9 61.4 47 54 A E H > S+ 0 0 13 -3,-0.3 4,-1.1 2,-0.2 3,-0.2 0.914 111.8 50.3 -68.3 -47.5 22.0 16.5 61.9 48 55 A G H >X S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.902 105.8 58.6 -55.4 -42.8 21.0 18.3 65.1 49 56 A A H >X S+ 0 0 1 -4,-2.5 4,-1.8 1,-0.2 3,-1.2 0.876 100.9 55.5 -54.6 -41.3 19.6 15.0 66.3 50 57 A R H 3< S+ 0 0 55 -4,-1.2 4,-0.5 1,-0.2 -1,-0.2 0.812 104.3 54.1 -62.5 -32.3 23.0 13.3 65.9 51 58 A Y H << S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.582 118.6 32.4 -77.5 -10.2 24.6 16.0 68.2 52 59 A I H X< S+ 0 0 0 -3,-1.2 3,-0.9 -4,-0.5 -2,-0.2 0.626 96.5 77.9-121.9 -19.5 22.2 15.4 71.1 53 60 A V T 3< S+ 0 0 9 -4,-1.8 -3,-0.1 1,-0.2 -2,-0.1 0.834 97.6 45.6 -66.6 -35.0 21.2 11.7 71.1 54 61 A D T 3 S+ 0 0 32 -4,-0.5 3,-0.3 1,-0.2 4,-0.3 0.474 91.8 89.2 -88.7 -3.9 24.4 10.4 72.7 55 62 A L X> + 0 0 0 -3,-0.9 3,-1.6 1,-0.2 4,-0.7 0.806 62.0 74.4 -68.0 -42.3 24.7 13.1 75.5 56 63 A P G >4 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.830 91.5 54.9 -49.8 -44.7 22.7 11.9 78.6 57 64 A R G 34 S+ 0 0 9 30,-0.5 40,-0.3 31,-0.3 46,-0.2 0.721 106.5 54.4 -66.0 -20.2 25.2 9.2 80.0 58 65 A F G <4 S+ 0 0 0 -3,-1.6 552,-0.3 -4,-0.3 -1,-0.3 0.681 100.5 74.6 -81.2 -20.0 28.0 11.8 80.0 59 66 A F S << S- 0 0 0 -3,-1.5 548,-0.1 -4,-0.7 3,-0.1 -0.658 88.1 -98.2-105.8 151.2 26.1 14.3 82.2 60 67 A P > - 0 0 29 0, 0.0 3,-1.5 0, 0.0 -57,-0.1 -0.330 54.4 -93.5 -56.4 141.1 25.2 14.6 85.9 61 68 A E T 3 S+ 0 0 96 1,-0.2 49,-0.2 -4,-0.1 3,-0.1 -0.325 114.4 41.1 -55.7 139.3 21.6 13.5 86.6 62 69 A G T 3 S+ 0 0 56 47,-3.5 -1,-0.2 1,-0.3 -59,-0.2 0.304 80.4 146.5 97.9 -6.3 19.2 16.5 86.5 63 70 A T < - 0 0 1 -3,-1.5 48,-1.6 46,-0.3 2,-0.5 -0.327 40.4-143.3 -61.4 138.8 20.9 18.0 83.4 64 71 A V E -bc 4 111A 3 -61,-2.4 -59,-2.5 46,-0.2 2,-0.7 -0.945 5.3-148.0-108.6 128.4 18.6 19.9 81.1 65 72 A F E -bc 5 112A 0 46,-3.6 48,-2.8 -2,-0.5 2,-0.7 -0.888 8.7-166.8 -98.3 112.5 19.3 19.6 77.3 66 73 A A E +bc 6 113A 0 -61,-2.7 -59,-2.7 -2,-0.7 2,-0.5 -0.894 18.6 173.0-101.9 107.0 18.3 22.8 75.5 67 74 A T E +b 7 0A 0 46,-2.5 2,-0.4 -2,-0.7 -59,-0.2 -0.972 2.7 171.3-131.1 120.0 18.3 21.8 71.8 68 75 A T E +b 8 0A 1 -61,-2.9 -59,-0.5 -2,-0.5 2,-0.3 -0.984 32.7 150.1-145.9 130.4 17.2 24.0 68.9 69 76 A T - 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 50,-0.1 -0.884 30.4-176.5-132.2 126.0 16.9 24.6 65.2 70 77 A Y > + 0 0 1 -2,-0.3 3,-1.8 1,-0.1 80,-0.2 -0.460 24.6 154.4-128.5 63.3 13.7 26.6 64.8 71 78 A P T 3 S+ 0 0 30 0, 0.0 469,-0.2 0, 0.0 -1,-0.1 0.690 80.2 60.6 -63.2 -17.7 12.7 27.3 61.1 72 79 A A T > S+ 0 0 39 -3,-0.2 3,-1.5 467,-0.1 5,-0.3 0.103 79.0 148.6 -91.0 19.2 9.0 27.6 62.2 73 80 A T T < + 0 0 0 -3,-1.8 467,-0.5 1,-0.2 466,-0.2 -0.217 61.1 24.3 -51.0 139.6 10.0 30.5 64.5 74 81 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 72,-0.2 2,-0.1 0.488 99.8 109.9 83.5 2.6 7.3 33.2 65.1 75 82 A T S < S- 0 0 37 -3,-1.5 -1,-0.3 72,-0.1 -3,-0.0 -0.437 89.3 -93.2-100.8 178.2 4.4 30.8 64.2 76 83 A T S S+ 0 0 135 -2,-0.1 -3,-0.1 -3,-0.1 -1,-0.0 0.529 87.6 118.0 -72.6 -4.3 1.8 29.3 66.6 77 84 A T - 0 0 41 -5,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.246 49.7-157.2 -61.6 152.1 4.0 26.2 67.2 78 85 A R - 0 0 63 38,-0.1 38,-0.5 1,-0.0 58,-0.1 -0.950 18.4-103.2-132.0 153.0 5.2 25.6 70.7 79 86 A S - 0 0 0 56,-0.5 56,-2.5 -2,-0.3 2,-0.4 -0.167 26.7-130.1 -71.2 164.1 8.2 23.6 72.0 80 87 A V E -DE 114 134A 2 34,-3.0 34,-2.2 54,-0.2 2,-0.5 -0.957 13.9-162.6-114.5 136.9 8.1 20.2 73.6 81 88 A A E -DE 113 133A 0 52,-2.5 52,-2.2 -2,-0.4 2,-0.4 -0.984 15.3-178.1-120.1 124.5 9.7 19.4 77.0 82 89 A V E -DE 112 132A 0 30,-2.6 30,-2.4 -2,-0.5 2,-0.7 -0.952 28.2-144.1-126.2 140.4 10.3 15.7 77.8 83 90 A R E -DE 111 131A 70 48,-2.1 47,-3.2 -2,-0.4 48,-1.1 -0.924 33.9-140.9 -93.6 116.2 11.7 13.7 80.7 84 91 A I E - E 0 129A 0 26,-1.9 26,-0.5 -2,-0.7 45,-0.3 -0.296 4.9-146.0 -75.5 161.5 13.5 10.8 79.0 85 92 A K S S+ 0 0 84 43,-1.6 23,-2.4 42,-0.3 24,-0.4 0.918 75.3 36.5 -90.9 -75.8 13.4 7.3 80.5 86 93 A Q - 0 0 85 41,-3.1 -1,-0.2 21,-0.2 21,-0.1 -0.691 57.2-154.7 -85.4 129.3 16.7 5.4 79.9 87 94 A A - 0 0 1 -2,-0.4 -30,-0.5 18,-0.4 -1,-0.2 0.891 46.6-148.5 -61.8 -40.8 20.0 7.4 80.1 88 95 A A - 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