==== 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 10-JUN-04 1TMM . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,Y.LI,Y.WU,G.SHI,X.JI,H.YAN . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16283.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 1 1 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 0 2 2 0 2 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 . 2 0 0 0 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 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 1 A T 0 0 63 0, 0.0 61,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 144.5 8.6 7.2 15.3 2 2 A V E -A 61 0A 37 59,-0.2 100,-3.0 61,-0.1 2,-0.5 -0.835 360.0-169.4 -94.8 120.4 9.1 7.7 11.6 3 3 A A E -AB 60 101A 0 57,-2.8 57,-3.0 -2,-0.6 2,-0.6 -0.918 11.4-148.6-100.6 134.4 9.6 4.5 9.7 4 4 A Y E -AB 59 100A 46 96,-2.4 95,-2.6 -2,-0.5 96,-1.5 -0.934 18.2-168.7-104.9 122.5 10.7 4.8 6.1 5 5 A I E -AB 58 98A 1 53,-2.6 53,-2.4 -2,-0.6 2,-0.4 -0.936 13.4-144.7-119.3 129.1 9.4 1.9 4.0 6 6 A A E -AB 57 97A 5 91,-3.0 91,-2.2 -2,-0.4 2,-0.4 -0.760 16.1-157.8 -88.8 137.2 10.5 0.9 0.4 7 7 A I E +AB 56 96A 1 49,-2.7 49,-2.2 -2,-0.4 2,-0.3 -0.978 15.0 171.7-118.6 132.4 7.8 -0.5 -1.8 8 8 A G E +AB 55 95A 3 87,-1.9 87,-2.1 -2,-0.4 2,-0.3 -0.995 5.5 168.0-137.5 146.8 8.4 -2.6 -4.9 9 9 A S E +A 54 0A 0 45,-1.6 45,-2.6 -2,-0.3 84,-0.2 -0.951 14.2 163.3-151.6 137.6 6.2 -4.5 -7.3 10 10 A N + 0 0 2 82,-2.6 2,-0.3 -2,-0.3 83,-0.2 0.113 63.1 65.3-139.8 26.8 6.8 -6.2 -10.6 11 11 A L S S+ 0 0 79 81,-0.7 6,-0.1 82,-0.2 -1,-0.1 -0.993 92.1 14.8-147.8 149.2 3.8 -8.5 -11.0 12 12 A A S S- 0 0 55 -2,-0.3 5,-0.2 1,-0.1 -1,-0.1 0.897 131.7 -38.0 56.1 52.4 0.0 -8.4 -11.4 13 13 A S >> - 0 0 56 3,-0.1 4,-2.5 -3,-0.1 3,-0.8 0.999 63.9-152.2 68.1 76.9 -0.2 -4.7 -12.3 14 14 A P H 3> S+ 0 0 18 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.833 92.7 57.4 -48.5 -35.8 2.4 -2.9 -10.1 15 15 A L H 3> S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 110.6 43.4 -65.1 -42.4 0.5 0.4 -10.1 16 16 A E H <> S+ 0 0 135 -3,-0.8 4,-2.6 2,-0.2 5,-0.2 0.912 114.0 52.1 -65.5 -40.1 -2.6 -1.4 -8.6 17 17 A Q H X S+ 0 0 29 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 111.6 45.0 -62.1 -44.6 -0.3 -3.3 -6.2 18 18 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.931 113.2 49.7 -68.4 -42.8 1.4 -0.2 -4.9 19 19 A N H X S+ 0 0 81 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.913 112.4 49.0 -62.1 -39.4 -1.8 1.8 -4.5 20 20 A A H X S+ 0 0 45 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.928 110.8 50.6 -62.6 -40.2 -3.3 -1.2 -2.6 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.903 107.5 52.8 -66.5 -38.9 -0.3 -1.3 -0.4 22 22 A L H X S+ 0 0 24 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.926 109.7 49.0 -60.1 -46.6 -0.4 2.4 0.4 23 23 A K H X S+ 0 0 155 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.932 113.5 46.5 -59.0 -45.7 -4.0 2.1 1.4 24 24 A A H >< S+ 0 0 17 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.895 108.5 55.0 -65.7 -39.2 -3.1 -0.9 3.6 25 25 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.907 105.4 53.5 -60.5 -38.8 -0.1 0.8 5.2 26 26 A G H 3< S+ 0 0 29 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 105.6 55.5 -67.2 -22.6 -2.3 3.7 6.2 27 27 A D T << S+ 0 0 119 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.462 76.0 119.6 -90.6 -3.2 -4.7 1.3 8.0 28 28 A I S X S- 0 0 3 -3,-1.4 3,-1.0 -4,-0.4 41,-0.0 -0.447 77.4 -98.9 -60.6 135.4 -2.0 -0.2 10.2 29 29 A P T 3 S+ 0 0 30 0, 0.0 35,-0.2 0, 0.0 34,-0.1 -0.185 102.4 10.2 -53.3 145.1 -2.9 0.3 13.8 30 30 A E T 3 S+ 0 0 106 1,-0.2 33,-2.4 32,-0.1 34,-0.4 0.752 114.4 95.9 59.3 30.9 -1.3 3.2 15.6 31 31 A S E < -C 62 0A 16 -3,-1.0 2,-0.3 31,-0.2 31,-0.2 -0.988 45.3-178.8-148.6 152.0 0.2 4.5 12.4 32 32 A H E -C 61 0A 105 29,-2.4 29,-2.8 -2,-0.3 2,-0.2 -0.984 34.0-106.8-151.4 147.5 -0.5 7.0 9.6 33 33 A I E -C 60 0A 50 -2,-0.3 27,-0.3 27,-0.2 3,-0.1 -0.520 27.1-178.7 -71.2 139.5 1.4 7.9 6.4 34 34 A L E + 0 0 84 25,-3.1 2,-0.3 1,-0.4 26,-0.2 0.823 65.0 0.3 -99.0 -50.9 3.2 11.2 6.3 35 35 A T E -C 59 0A 56 24,-1.1 24,-2.2 97,-0.0 -1,-0.4 -0.975 53.1-157.5-147.0 152.5 4.7 11.3 2.8 36 36 A V E -C 58 0A 63 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -1.000 18.3-137.1-131.9 134.6 4.8 9.3 -0.4 37 37 A S - 0 0 8 20,-2.8 91,-0.1 -2,-0.4 2,-0.0 -0.126 35.0 -84.5 -73.6 174.5 7.4 9.5 -3.1 38 38 A S - 0 0 33 89,-0.1 2,-0.5 1,-0.1 19,-0.3 -0.318 49.8-102.0 -62.8 166.9 6.9 9.5 -6.8 39 39 A F - 0 0 48 119,-0.2 119,-2.5 17,-0.1 2,-0.4 -0.868 38.8-160.7 -99.4 127.7 6.5 6.2 -8.6 40 40 A Y E -DE 55 157A 20 15,-2.5 15,-2.5 -2,-0.5 2,-0.7 -0.892 15.6-140.7-115.2 143.0 9.6 5.0 -10.5 41 41 A R E +DE 54 156A 94 115,-2.6 115,-0.6 -2,-0.4 13,-0.2 -0.910 33.9 176.0-101.0 111.7 10.0 2.4 -13.2 42 42 A T E -D 53 0A 5 11,-2.5 11,-2.8 -2,-0.7 3,-0.1 -0.922 32.4-116.2-126.2 142.9 13.2 0.4 -12.6 43 43 A P - 0 0 88 0, 0.0 9,-0.1 0, 0.0 3,-0.1 -0.460 47.6 -96.1 -73.0 147.7 14.9 -2.5 -14.3 44 44 A P - 0 0 3 0, 0.0 8,-0.1 0, 0.0 6,-0.1 -0.319 36.8-111.8 -65.3 143.7 15.2 -5.5 -12.0 45 45 A L S S- 0 0 100 -3,-0.1 -3,-0.0 3,-0.0 0, 0.0 -0.355 81.6 -15.2 -59.5 143.5 18.4 -6.1 -10.2 46 46 A G S S+ 0 0 55 -3,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.341 119.3 52.6 72.9-132.6 20.2 -9.1 -11.5 47 47 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.351 65.7-157.6 -59.2 110.7 18.5 -11.6 -13.7 48 48 A Q + 0 0 123 -2,-0.3 2,-1.3 1,-0.2 -2,-0.1 0.532 69.6 102.2 -68.0 -11.3 17.1 -9.4 -16.4 49 49 A D S S+ 0 0 121 2,-0.0 -1,-0.2 -5,-0.0 -3,-0.0 -0.105 70.1 67.8 -68.1 29.5 14.6 -12.2 -17.0 50 50 A Q S S- 0 0 24 -2,-1.3 40,-0.0 -3,-0.1 0, 0.0 -0.947 88.7 -82.7-146.7 166.1 11.7 -10.5 -15.2 51 51 A P - 0 0 65 0, 0.0 -2,-0.0 0, 0.0 -40,-0.0 -0.251 51.9 -88.9 -66.1 158.8 9.5 -7.4 -15.6 52 52 A D - 0 0 72 -9,-0.1 2,-0.3 1,-0.1 -11,-0.0 -0.302 44.6-123.8 -60.9 147.7 10.3 -3.9 -14.5 53 53 A Y E - D 0 42A 28 -11,-2.8 -11,-2.5 -43,-0.0 2,-0.6 -0.653 1.2-138.3 -89.5 149.9 9.5 -2.8 -11.0 54 54 A L E -AD 9 41A 0 -45,-2.6 -45,-1.6 -2,-0.3 2,-0.4 -0.967 32.7-170.8 -93.9 125.1 7.5 0.0 -9.7 55 55 A N E +AD 8 40A 9 -15,-2.5 -15,-2.5 -2,-0.6 2,-0.3 -0.939 15.3 149.8-120.4 142.5 9.5 1.4 -6.8 56 56 A A E -A 7 0A 1 -49,-2.2 -49,-2.7 -2,-0.4 2,-0.3 -0.905 27.6-138.9-152.2 177.3 8.5 4.0 -4.3 57 57 A A E -A 6 0A 0 -19,-0.3 -20,-2.8 -2,-0.3 2,-0.3 -0.987 12.3-166.4-143.6 150.3 9.1 5.0 -0.6 58 58 A V E -AC 5 36A 2 -53,-2.4 -53,-2.6 -2,-0.3 2,-0.5 -0.975 18.0-136.5-136.1 151.0 6.8 6.2 2.2 59 59 A A E -AC 4 35A 2 -24,-2.2 -25,-3.1 -2,-0.3 -24,-1.1 -0.957 24.8-167.0-100.0 125.9 7.3 7.7 5.6 60 60 A L E -AC 3 33A 1 -57,-3.0 -57,-2.8 -2,-0.5 2,-0.5 -0.983 13.5-148.0-118.4 116.9 5.0 6.2 8.2 61 61 A E E +AC 2 32A 63 -29,-2.8 -29,-2.4 -2,-0.5 2,-0.3 -0.768 35.6 164.3 -80.4 125.9 4.5 7.8 11.6 62 62 A T E - C 0 31A 2 -61,-2.8 -31,-0.2 -2,-0.5 -32,-0.1 -0.999 47.1-159.9-144.7 147.3 3.9 4.9 14.1 63 63 A S + 0 0 81 -33,-2.4 -32,-0.1 -2,-0.3 -33,-0.1 0.274 66.6 112.0-103.9 12.9 3.9 4.1 17.8 64 64 A L S S- 0 0 11 -34,-0.4 -2,-0.1 -35,-0.2 -34,-0.0 -0.411 76.0-108.5 -72.0 152.2 4.4 0.4 17.0 65 65 A A > - 0 0 44 1,-0.1 4,-2.5 -2,-0.1 3,-0.4 -0.461 37.5-103.5 -75.5 156.9 7.6 -1.3 17.9 66 66 A P H > S+ 0 0 23 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.891 121.5 46.5 -53.4 -44.2 9.8 -2.2 15.0 67 67 A E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.832 109.9 55.4 -71.2 -27.7 8.9 -6.0 15.0 68 68 A E H > S+ 0 0 96 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.924 108.8 47.3 -68.5 -44.0 5.2 -5.1 15.3 69 69 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.947 110.0 53.8 -60.1 -43.8 5.5 -2.9 12.2 70 70 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.927 105.3 53.4 -55.2 -47.1 7.3 -5.8 10.5 71 71 A N H X S+ 0 0 72 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.925 111.4 46.5 -55.8 -43.9 4.4 -8.2 11.3 72 72 A H H X S+ 0 0 42 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.913 111.1 49.5 -68.8 -41.5 2.0 -5.8 9.7 73 73 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.892 111.1 51.1 -64.2 -36.3 4.1 -5.2 6.6 74 74 A Q H X S+ 0 0 64 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.866 109.0 50.8 -67.4 -38.6 4.5 -9.0 6.2 75 75 A R H X S+ 0 0 86 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.893 108.6 52.0 -65.7 -38.3 0.7 -9.5 6.5 76 76 A I H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.936 109.3 50.4 -63.9 -44.8 0.1 -6.8 3.8 77 77 A E H ><>S+ 0 0 4 -4,-2.3 5,-2.6 1,-0.2 3,-0.5 0.953 112.5 46.7 -53.1 -51.0 2.5 -8.7 1.5 78 78 A L H ><5S+ 0 0 107 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.895 107.7 54.4 -61.9 -43.2 0.6 -11.9 2.1 79 79 A Q H 3<5S+ 0 0 125 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.803 109.0 51.6 -62.2 -26.4 -2.8 -10.4 1.6 80 80 A Q T <<5S- 0 0 29 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.087 129.3 -95.1 -96.6 21.7 -1.5 -9.2 -1.8 81 81 A G T < 5S+ 0 0 47 -3,-2.0 2,-0.6 1,-0.3 -3,-0.2 0.471 75.8 142.4 89.3 2.5 -0.2 -12.6 -2.8 82 82 A R < + 0 0 18 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.731 7.4 148.2 -83.7 118.2 3.4 -12.5 -1.7 83 83 A V + 0 0 104 -2,-0.6 2,-0.5 -3,-0.1 -1,-0.2 0.662 41.3 86.8-120.4 -32.0 4.4 -15.9 -0.3 84 84 A R + 0 0 151 2,-0.0 2,-0.4 4,-0.0 3,-0.1 -0.616 53.0 173.7 -85.4 125.3 8.1 -16.4 -1.1 85 85 A K + 0 0 78 -2,-0.5 3,-0.1 1,-0.2 -2,-0.0 -0.966 58.7 8.3-133.8 138.3 10.4 -15.0 1.5 86 86 A A S S+ 0 0 111 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.851 101.5 112.8 56.8 40.2 14.2 -15.2 1.9 87 87 A E S S- 0 0 101 -3,-0.1 -1,-0.2 1,-0.1 3,-0.0 -0.856 81.6 -72.6-130.1 170.5 14.6 -16.9 -1.5 88 88 A R - 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