==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-FEB-99 1CBK . COMPND 2 MOLECULE: PROTEIN (7,8-DIHYDRO-6-HYDROXYMETHYLPTERIN- . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.HENNIG,A.D'ARCY,G.DALE,C.OEFNER . 320 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 67.5 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 . 78 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 20.3 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+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 2 0 0 0 0 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 . 4 4 2 0 2 2 0 0 2 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 M 0 0 120 0, 0.0 2,-0.3 0, 0.0 63,-0.2 0.000 360.0 360.0 360.0 133.5 39.1 15.9 63.1 2 2 A I E -A 63 0A 31 61,-3.0 61,-2.7 63,-0.1 2,-0.6 -0.859 360.0-129.4-116.1 148.8 35.4 15.7 62.2 3 3 A T E -A 62 0A 44 -2,-0.3 99,-2.5 59,-0.2 2,-0.3 -0.826 34.7-178.7 -91.6 121.4 33.3 13.2 60.5 4 4 A A E -AB 61 101A 0 57,-2.5 57,-2.6 -2,-0.6 2,-0.4 -0.880 19.4-142.2-122.5 156.0 31.2 14.8 57.8 5 5 A Y E -AB 60 100A 17 95,-2.2 94,-2.8 -2,-0.3 95,-1.4 -0.977 13.8-164.4-121.6 130.1 28.6 13.5 55.4 6 6 A I E -AB 59 98A 0 53,-2.6 53,-2.8 -2,-0.4 2,-0.4 -0.966 8.4-148.0-118.9 130.1 28.3 14.7 51.8 7 7 A A E -AB 58 97A 6 90,-3.0 90,-2.4 -2,-0.4 2,-0.4 -0.803 15.7-167.3 -96.1 136.5 25.3 14.1 49.5 8 8 A L E +AB 57 96A 2 49,-2.9 49,-2.0 -2,-0.4 2,-0.3 -0.986 11.2 166.9-125.6 140.2 26.0 13.8 45.8 9 9 A G E +AB 56 95A 7 86,-1.8 86,-1.8 -2,-0.4 2,-0.3 -0.992 3.8 164.1-150.7 151.3 23.5 13.9 42.9 10 10 A S E +A 55 0A 0 45,-1.4 45,-2.5 -2,-0.3 83,-0.2 -0.945 17.7 171.4-164.3 144.7 23.5 14.2 39.1 11 11 A N + 0 0 3 81,-2.3 2,-0.3 -2,-0.3 82,-0.2 0.180 63.9 74.8-140.8 20.4 21.1 13.6 36.2 12 12 A L S S+ 0 0 34 80,-0.7 6,-0.1 1,-0.2 72,-0.1 -0.983 90.7 7.2-141.5 142.0 23.1 15.1 33.3 13 13 A N S S- 0 0 104 -2,-0.3 -1,-0.2 1,-0.1 5,-0.1 0.935 133.6 -32.7 55.1 61.3 26.1 14.2 31.1 14 14 A T >> - 0 0 87 -3,-0.1 4,-2.1 3,-0.1 3,-0.7 0.997 69.4-159.0 60.7 74.0 26.7 10.7 32.4 15 15 A P H 3> S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.833 87.8 54.3 -47.2 -47.2 25.7 10.9 36.1 16 16 A V H 3> S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.899 111.0 46.5 -59.5 -41.7 27.7 7.8 37.2 17 17 A E H <> S+ 0 0 127 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.883 109.4 54.2 -67.3 -41.2 30.8 9.4 35.8 18 18 A Q H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 110.7 46.8 -57.7 -43.6 30.1 12.8 37.4 19 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.922 112.0 49.6 -66.6 -43.3 29.8 11.1 40.8 20 20 A H H X S+ 0 0 89 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.935 112.5 48.0 -63.0 -42.2 33.0 9.0 40.3 21 21 A A H X S+ 0 0 42 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.910 112.8 48.2 -64.8 -40.3 34.9 12.2 39.3 22 22 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.888 111.2 50.1 -67.0 -38.7 33.5 14.1 42.3 23 23 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 110.0 50.7 -66.3 -40.3 34.4 11.3 44.7 24 24 A K H X S+ 0 0 136 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.951 112.0 47.5 -62.0 -49.0 37.9 11.2 43.4 25 25 A A H >< S+ 0 0 25 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.910 112.2 49.0 -59.1 -44.5 38.3 15.0 43.8 26 26 A I H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.923 107.9 55.1 -61.2 -42.4 36.9 14.8 47.4 27 27 A S H 3< S+ 0 0 53 -4,-2.6 7,-0.3 1,-0.3 -1,-0.2 0.766 106.2 53.3 -62.6 -24.5 39.3 12.0 48.2 28 28 A Q T << S+ 0 0 140 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.392 79.8 121.8 -91.6 -1.3 42.2 14.2 47.1 29 29 A L S X S- 0 0 12 -3,-1.6 3,-1.3 -4,-0.3 -3,-0.0 -0.382 72.1-104.2 -64.5 139.4 41.4 17.2 49.3 30 30 A S T 3 S+ 0 0 94 1,-0.3 34,-0.2 -2,-0.1 35,-0.1 -0.339 102.8 9.9 -61.5 146.0 44.1 18.3 51.7 31 31 A N T 3 S+ 0 0 106 1,-0.2 33,-2.2 32,-0.1 34,-0.5 0.718 109.9 106.1 54.3 33.6 43.4 17.3 55.3 32 32 A T E < -C 63 0A 18 -3,-1.3 2,-0.4 31,-0.2 31,-0.2 -0.983 49.7-165.0-144.0 140.5 40.5 15.1 54.3 33 33 A H E -C 62 0A 108 29,-2.3 29,-2.2 -2,-0.3 2,-0.8 -0.998 19.6-136.7-129.5 124.3 40.2 11.4 54.1 34 34 A L E -C 61 0A 38 -2,-0.4 27,-0.2 -7,-0.3 3,-0.1 -0.752 24.5-178.0 -80.2 112.9 37.3 9.7 52.2 35 35 A V E - 0 0 51 25,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.929 55.2 -28.2 -80.5 -51.1 36.2 6.9 54.5 36 36 A T E -C 60 0A 59 24,-1.2 24,-3.1 0, 0.0 2,-0.3 -0.970 49.4-144.7-161.8 162.3 33.4 5.2 52.6 37 37 A T E -C 59 0A 41 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.989 22.9-123.3-135.9 138.9 30.7 5.9 50.0 38 38 A S - 0 0 7 20,-2.6 90,-0.1 -2,-0.3 3,-0.0 -0.106 44.4 -78.9 -69.7 177.3 27.3 4.3 49.8 39 39 A S - 0 0 34 88,-0.1 2,-0.5 1,-0.1 19,-0.3 -0.258 52.8-102.0 -69.0 166.1 26.0 2.4 46.7 40 40 A F - 0 0 17 118,-0.3 118,-2.5 120,-0.1 2,-0.4 -0.833 38.8-158.9 -95.1 132.7 24.8 4.6 43.8 41 41 A Y E -DE 56 157A 11 15,-2.5 15,-2.6 -2,-0.5 2,-0.6 -0.967 12.5-145.0-120.1 130.2 21.0 4.8 43.6 42 42 A K E -DE 55 156A 88 114,-2.6 114,-2.2 -2,-0.4 2,-0.3 -0.827 33.8-178.2 -91.2 120.2 19.0 5.7 40.5 43 43 A S E -D 54 0A 2 11,-2.3 11,-2.2 -2,-0.6 3,-0.1 -0.901 32.7-100.8-127.8 153.7 16.0 7.7 41.7 44 44 A K - 0 0 117 -2,-0.3 9,-0.1 9,-0.2 5,-0.0 -0.383 55.6 -95.7 -65.5 139.5 12.9 9.4 40.3 45 45 A P - 0 0 6 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.283 23.6-141.0 -61.4 139.9 13.4 13.1 40.0 46 46 A L S S+ 0 0 33 -3,-0.1 231,-0.1 44,-0.1 232,-0.1 -0.938 81.4 22.9 -97.4 108.6 12.1 15.3 42.8 47 47 A G S S+ 0 0 0 -2,-0.8 43,-0.1 230,-0.1 42,-0.1 -0.953 117.3 13.1 133.2-156.3 10.7 18.3 40.8 48 48 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 252,-0.1 -0.285 65.8-142.7 -51.4 140.3 9.5 18.5 37.1 49 49 A Q S S+ 0 0 54 251,-0.4 2,-1.2 1,-0.2 252,-0.0 0.607 83.9 85.0 -86.9 -10.4 9.1 15.0 35.8 50 50 A D S S+ 0 0 118 2,-0.0 -1,-0.2 250,-0.0 40,-0.0 -0.290 77.0 84.5 -85.8 48.5 10.3 15.7 32.3 51 51 A Q S S- 0 0 16 -2,-1.2 3,-0.1 -3,-0.2 -4,-0.0 -0.940 88.5 -85.2-141.5 159.6 14.0 15.3 33.3 52 52 A P - 0 0 66 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.296 50.9 -94.2 -67.7 158.5 16.2 12.2 33.5 53 53 A D - 0 0 63 1,-0.1 -9,-0.2 -9,-0.1 2,-0.1 -0.373 47.2-117.9 -64.1 151.4 16.3 10.1 36.7 54 54 A Y E - D 0 43A 24 -11,-2.2 -11,-2.3 -3,-0.1 2,-0.5 -0.464 7.8-138.9 -93.1 159.4 19.1 11.0 39.1 55 55 A V E -AD 10 42A 9 -45,-2.5 -45,-1.4 -13,-0.2 2,-0.3 -0.991 33.0-174.7-115.8 124.0 22.0 9.0 40.3 56 56 A N E +AD 9 41A 12 -15,-2.6 -15,-2.5 -2,-0.5 2,-0.3 -0.920 14.8 158.1-124.8 152.4 22.6 9.6 44.1 57 57 A A E -A 8 0A 1 -49,-2.0 -49,-2.9 -2,-0.3 2,-0.4 -0.951 26.9-136.6-160.1 169.3 25.1 8.7 46.8 58 58 A V E -A 7 0A 0 -2,-0.3 -20,-2.6 -19,-0.3 2,-0.4 -0.994 18.2-157.9-136.7 131.8 26.4 9.8 50.2 59 59 A A E -AC 6 37A 0 -53,-2.8 -53,-2.6 -2,-0.4 2,-0.5 -0.883 7.2-144.1-113.5 145.5 30.0 9.9 51.1 60 60 A K E +AC 5 36A 52 -24,-3.1 -25,-2.4 -2,-0.4 -24,-1.2 -0.932 24.7 177.2-109.8 127.7 31.6 9.8 54.6 61 61 A I E -AC 4 34A 0 -57,-2.6 -57,-2.5 -2,-0.5 2,-0.5 -0.902 27.8-145.0-129.3 160.7 34.7 11.9 55.2 62 62 A E E +AC 3 33A 66 -29,-2.2 -29,-2.3 -2,-0.3 2,-0.3 -0.998 38.5 168.6-121.8 117.5 37.1 12.7 58.1 63 63 A T E -AC 2 32A 0 -61,-2.7 -61,-3.0 -2,-0.5 -31,-0.2 -0.957 45.7-159.8-137.3 158.6 38.4 16.2 57.7 64 64 A E + 0 0 133 -33,-2.2 2,-0.2 -2,-0.3 -32,-0.1 0.302 64.5 114.7-112.2 2.3 40.2 19.0 59.5 65 65 A L S S- 0 0 23 -34,-0.5 -63,-0.1 -35,-0.1 -2,-0.1 -0.495 72.2-117.4 -73.2 141.7 38.8 21.6 57.1 66 66 A S > - 0 0 48 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.296 34.0 -99.0 -70.5 165.7 36.5 24.1 58.8 67 67 A P H > S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.919 123.6 44.9 -55.7 -46.2 32.8 24.2 57.6 68 68 A L H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.817 113.2 50.1 -69.6 -29.6 33.3 27.2 55.2 69 69 A K H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 109.8 50.7 -75.6 -36.2 36.6 25.8 53.8 70 70 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.916 111.6 49.1 -63.7 -43.1 35.0 22.5 53.1 71 71 A L H X S+ 0 0 23 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.924 109.2 52.1 -60.5 -47.8 32.2 24.4 51.3 72 72 A D H X S+ 0 0 71 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.903 111.6 47.5 -53.2 -46.5 34.8 26.4 49.3 73 73 A E H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.876 110.7 49.7 -65.0 -41.4 36.4 23.2 48.3 74 74 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.886 112.2 48.5 -66.5 -37.8 33.2 21.5 47.3 75 75 A Q H X S+ 0 0 71 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.870 109.8 52.9 -68.0 -35.5 32.2 24.5 45.2 76 76 A R H X S+ 0 0 117 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.914 108.7 50.0 -64.7 -42.1 35.7 24.5 43.6 77 77 A I H X S+ 0 0 11 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.912 110.8 48.7 -63.2 -44.5 35.2 20.8 42.7 78 78 A E H <>S+ 0 0 25 -4,-2.1 5,-2.6 2,-0.2 -2,-0.2 0.926 114.3 47.2 -61.0 -42.0 31.8 21.6 41.1 79 79 A N H ><5S+ 0 0 121 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.941 112.9 46.0 -65.6 -46.9 33.3 24.6 39.2 80 80 A E H 3<5S+ 0 0 140 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.705 109.6 56.5 -71.6 -16.9 36.3 22.6 37.9 81 81 A Q T 3<5S- 0 0 44 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.325 118.8-114.8 -94.0 7.5 34.0 19.8 36.9 82 82 A G T < 5 - 0 0 45 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.874 36.0-154.2 63.1 43.8 32.1 22.2 34.8 83 83 A R < - 0 0 82 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.222 15.0-175.9 -54.8 126.3 28.8 22.2 36.8 84 84 A V - 0 0 66 -72,-0.1 9,-2.1 -2,-0.0 2,-0.4 -0.978 12.2-170.1-126.9 135.6 25.8 23.1 34.7 85 85 A R B -F 92 0B 125 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.992 6.7-163.4-126.1 122.8 22.1 23.5 35.8 86 86 A L - 0 0 103 5,-2.6 2,-0.3 -2,-0.4 6,-0.1 0.673 68.5 -17.9 -80.6 -21.0 19.4 23.8 33.1 87 87 A R S > S- 0 0 74 4,-0.5 3,-2.0 0, 0.0 -1,-0.2 -0.935 84.8 -71.8-174.8 158.1 16.6 25.2 35.2 88 88 A R T 3 S+ 0 0 84 1,-0.3 3,-0.1 -2,-0.3 180,-0.0 -0.418 122.7 7.3 -62.8 139.1 15.5 25.5 38.9 89 89 A W T 3 S+ 0 0 40 1,-0.2 -1,-0.3 -42,-0.1 3,-0.1 0.483 122.3 94.6 63.3 7.1 14.4 22.0 40.2 90 90 A G S < S- 0 0 0 -3,-2.0 -1,-0.2 1,-0.2 -39,-0.1 -0.161 77.9 -20.5-108.8-154.4 15.7 20.6 36.9 91 91 A E + 0 0 25 -3,-0.1 -5,-2.6 -6,-0.1 -4,-0.5 -0.099 54.0 166.8 -55.5 136.9 18.7 19.1 35.2 92 92 A R B -F 85 0B 30 -7,-0.3 -81,-2.3 -6,-0.1 -80,-0.7 -0.989 36.8-140.5-151.7 141.1 22.2 19.5 36.7 93 93 A T S S- 0 0 2 -9,-2.1 2,-0.3 -2,-0.3 -81,-0.1 0.785 86.3 -6.7 -72.8 -27.5 25.5 17.7 36.0 94 94 A L - 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0 0 90 -3,-2.2 2,-0.6 1,-0.0 -3,-0.5 -0.394 49.9-147.8 -78.7 152.1 27.4 20.8 64.7 105 105 A I + 0 0 92 -2,-0.1 2,-0.5 -5,-0.1 -2,-0.1 -0.983 23.0 174.9-117.2 113.2 24.5 23.0 63.9 106 106 A I E +G 113 0C 24 7,-2.7 7,-3.6 -2,-0.6 2,-0.4 -0.981 9.1 164.4-126.0 116.4 25.6 25.7 61.5 107 107 A Q E +G 112 0C 53 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.883 28.9 121.5-136.0 96.8 23.0 28.1 60.1 108 108 A N S S- 0 0 65 3,-2.6 -2,-0.0 -2,-0.4 0, 0.0 -0.677 75.9 -62.2-137.2-163.5 24.6 31.2 58.6 109 109 A E S S+ 0 0 196 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.797 132.1 21.3 -59.5 -35.7 24.8 33.2 55.3 110 110 A R S S+ 0 0 108 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.612 119.6 58.1-108.5 -20.1 26.5 30.3 53.4 111 111 A L - 0 0 9 2,-0.1 -3,-2.6 3,-0.0 2,-0.3 -0.922 40.9-179.1-124.1 149.6 25.6 27.2 55.3 112 112 A T E -G 107 0C 44 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.849 25.9-165.6-139.6 87.3 22.5 25.3 56.5 113 113 A I E S+G 106 0C 1 -7,-3.6 -7,-2.7 -2,-0.3 2,-0.1 -0.987 77.2 23.7-127.7 114.6 23.7 22.3 58.5 114 114 A P S S- 0 0 0 0, 0.0 2,-0.7 0, 0.0 -14,-0.1 0.683 80.1-163.0 -73.8 164.7 21.6 20.3 59.0 115 115 A H > - 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