==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-03 1RU2 . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6- . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,X.JI . 146 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 69.2 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 . 36 24.7 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.7 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 . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 0 1 0 1 0 1 0 0 1 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 . 1 2 1 0 1 1 0 1 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 . 1 0 0 0 1 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 74 0, 0.0 56,-2.1 0, 0.0 2,-0.8 0.000 360.0 360.0 360.0 137.4 15.4 -0.6 6.4 2 2 A V E -A 56 0A 41 54,-0.2 89,-2.6 88,-0.1 2,-0.4 -0.706 360.0-171.0 -86.5 117.6 15.8 2.8 4.7 3 3 A A E -AB 55 90A 0 52,-3.0 52,-3.4 -2,-0.8 2,-0.5 -0.863 12.0-148.5-100.9 139.9 13.9 5.5 6.5 4 4 A Y E -AB 54 89A 42 85,-2.8 84,-2.5 -2,-0.4 85,-1.6 -0.963 18.3-171.9-111.2 122.6 13.6 8.9 4.9 5 5 A I E -AB 53 87A 0 48,-2.8 48,-2.4 -2,-0.5 2,-0.4 -0.933 15.5-142.9-118.9 132.0 13.4 11.7 7.4 6 6 A A E -AB 52 86A 6 80,-3.1 80,-2.3 -2,-0.4 2,-0.5 -0.816 12.8-158.0 -90.6 134.5 12.6 15.4 6.8 7 7 A I E +AB 51 85A 0 44,-2.6 44,-2.0 -2,-0.4 2,-0.4 -0.975 15.5 175.6-110.5 123.9 14.5 17.9 8.9 8 8 A G E +AB 50 84A 7 76,-2.3 76,-2.5 -2,-0.5 2,-0.3 -0.993 7.8 175.4-128.4 140.3 13.0 21.4 9.3 9 9 A S E -A 49 0A 0 40,-2.0 40,-1.9 -2,-0.4 74,-0.2 -0.998 21.0-160.2-136.4 141.0 14.0 24.4 11.4 10 10 A N + 0 0 54 -2,-0.3 2,-0.1 38,-0.2 37,-0.1 0.126 50.2 132.1-100.4 20.2 12.5 27.9 11.5 11 11 A L - 0 0 44 71,-0.3 -2,-0.1 1,-0.2 36,-0.0 -0.575 60.1-139.3 -75.5 149.6 15.6 29.4 12.9 12 12 A A S S+ 0 0 87 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.777 112.1 24.6 -67.6 -37.5 16.9 32.6 11.3 13 13 A S S > S+ 0 0 107 1,-0.1 3,-0.5 -3,-0.0 -1,-0.3 -0.602 84.6 150.4-124.5 68.8 20.4 31.1 11.8 14 14 A P T 3> + 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.287 36.0 101.8 -89.3 6.6 19.4 27.4 11.9 15 15 A L H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.923 85.3 46.3 -56.9 -43.9 22.5 25.8 10.5 16 16 A E H <> S+ 0 0 143 -3,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.880 108.9 56.2 -71.5 -32.9 23.8 24.7 13.8 17 17 A Q H > S+ 0 0 10 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.921 110.8 44.0 -53.8 -50.1 20.4 23.3 14.8 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.894 112.1 51.8 -71.6 -36.9 20.3 21.1 11.8 19 19 A N H X S+ 0 0 73 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.945 109.4 51.1 -64.2 -42.8 23.9 20.1 12.2 20 20 A A H X S+ 0 0 27 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.899 111.5 48.7 -53.0 -44.5 23.0 19.1 15.9 21 21 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 109.6 50.7 -65.7 -40.1 20.1 17.1 14.6 22 22 A L H X S+ 0 0 19 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.900 108.9 51.8 -68.3 -39.1 22.2 15.3 12.0 23 23 A K H X S+ 0 0 133 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.971 112.4 45.3 -59.2 -49.3 24.8 14.3 14.5 24 24 A A H >< S+ 0 0 11 -4,-2.1 3,-0.6 1,-0.2 4,-0.3 0.891 108.6 56.2 -64.8 -38.6 22.2 12.9 16.8 25 25 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.915 106.6 51.0 -55.7 -45.0 20.4 11.1 13.9 26 26 A G H 3< S+ 0 0 27 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.707 105.1 59.1 -66.6 -19.9 23.7 9.4 13.2 27 27 A D T << S+ 0 0 101 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.375 73.6 120.7 -93.4 4.6 23.9 8.4 16.9 28 28 A I S X S- 0 0 3 -3,-1.4 3,-1.3 -4,-0.3 -3,-0.0 -0.462 72.6-110.7 -66.3 130.0 20.7 6.5 16.8 29 29 A P T 3 S+ 0 0 67 0, 0.0 30,-0.2 0, 0.0 29,-0.1 -0.229 98.7 15.9 -60.3 155.2 21.5 2.9 17.9 30 30 A E T 3 S+ 0 0 140 1,-0.1 28,-2.1 27,-0.1 2,-0.3 0.668 117.3 88.0 57.0 21.3 21.2 0.2 15.2 31 31 A S E < -C 57 0A 18 -3,-1.3 2,-0.3 26,-0.2 26,-0.2 -0.942 48.3-178.8-143.5 158.9 21.2 3.0 12.5 32 32 A H E -C 56 0A 101 24,-2.6 24,-2.3 -2,-0.3 2,-0.3 -0.977 34.9-101.1-158.5 153.8 23.5 5.1 10.3 33 33 A I E -C 55 0A 52 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.529 28.1-180.0 -79.7 135.1 23.0 7.9 7.8 34 34 A L E - 0 0 88 20,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.843 67.7 -7.0 -93.9 -47.1 23.3 6.9 4.1 35 35 A T E -C 54 0A 64 19,-1.2 19,-2.8 2,-0.0 -1,-0.4 -0.996 52.4-156.7-152.9 145.6 22.7 10.3 2.5 36 36 A V E -C 53 0A 51 -2,-0.3 17,-0.2 17,-0.2 3,-0.1 -0.991 23.3-130.4-122.6 136.3 21.8 13.8 3.4 37 37 A S - 0 0 5 15,-3.0 80,-0.1 -2,-0.4 3,-0.0 -0.230 36.5 -83.9 -71.7 170.7 20.3 16.2 0.9 38 38 A S - 0 0 29 78,-0.1 2,-0.3 1,-0.1 14,-0.3 -0.275 53.0-103.6 -60.4 157.1 21.5 19.7 0.3 39 39 A F - 0 0 39 12,-0.1 108,-2.1 -3,-0.1 2,-0.4 -0.742 38.8-156.5 -83.8 146.2 20.1 22.2 2.7 40 40 A Y E -DE 50 146A 18 10,-1.9 10,-2.5 -2,-0.3 2,-0.8 -0.998 15.6-143.9-134.5 124.9 17.3 24.3 1.2 41 41 A R E -DE 49 145A 106 104,-1.8 104,-0.5 -2,-0.4 8,-0.2 -0.826 36.9-176.5 -85.6 108.4 16.1 27.7 2.4 42 42 A T E -D 48 0A 2 6,-2.5 6,-2.0 -2,-0.8 102,-0.0 -0.888 31.0-100.9-121.2 141.3 12.3 27.4 1.8 43 43 A P 0 0 90 0, 0.0 4,-0.1 0, 0.0 69,-0.1 -0.294 360.0 360.0 -51.7 141.7 9.4 29.8 2.1 44 44 A P 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.727 360.0 360.0 -64.5 360.0 7.4 29.2 5.3 45 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 46 51 A P 0 0 126 0, 0.0 2,-0.3 0, 0.0 -35,-0.1 0.000 360.0 360.0 360.0-159.7 10.2 33.5 8.6 47 52 A D - 0 0 58 -4,-0.1 2,-0.3 -37,-0.1 -6,-0.0 -0.617 360.0-131.0-100.6 154.6 11.9 30.9 6.5 48 53 A Y E - D 0 42A 88 -6,-2.0 -6,-2.5 -2,-0.3 2,-0.5 -0.648 5.5-139.0 -98.9 151.2 12.8 27.4 7.0 49 54 A L E -AD 9 41A 0 -40,-1.9 -40,-2.0 -2,-0.3 2,-0.3 -0.984 33.8-173.8-102.1 124.2 15.9 25.3 6.5 50 55 A N E +AD 8 40A 9 -10,-2.5 -10,-1.9 -2,-0.5 2,-0.3 -0.924 12.7 160.3-124.5 142.5 14.8 22.0 5.1 51 56 A A E -A 7 0A 2 -44,-2.0 -44,-2.6 -2,-0.3 2,-0.4 -0.960 26.8-134.4-151.3 162.8 16.7 18.8 4.4 52 57 A A E -A 6 0A 1 -14,-0.3 -15,-3.0 -2,-0.3 2,-0.4 -0.969 16.2-160.4-124.4 143.1 16.1 15.1 3.8 53 58 A V E -AC 5 36A 0 -48,-2.4 -48,-2.8 -2,-0.4 2,-0.6 -0.991 12.3-149.3-126.7 130.0 18.0 12.2 5.3 54 59 A A E -AC 4 35A 3 -19,-2.8 -20,-3.4 -2,-0.4 -19,-1.2 -0.896 25.3-172.7 -90.9 116.1 18.2 8.6 4.2 55 60 A L E -AC 3 33A 0 -52,-3.4 -52,-3.0 -2,-0.6 2,-0.4 -0.956 17.7-147.3-120.3 115.4 18.8 6.6 7.4 56 61 A E E +AC 2 32A 59 -24,-2.3 -24,-2.6 -2,-0.5 2,-0.3 -0.730 34.3 167.7 -74.2 127.6 19.6 2.9 7.3 57 62 A T E - C 0 31A 0 -56,-2.1 -26,-0.2 -2,-0.4 -27,-0.1 -0.997 46.2-161.0-150.8 144.9 18.0 1.3 10.5 58 63 A S + 0 0 90 -28,-2.1 2,-0.2 -2,-0.3 -27,-0.1 0.260 67.1 113.4 -98.4 4.7 17.1 -2.0 12.0 59 64 A L S S- 0 0 12 -29,-0.3 -2,-0.1 -58,-0.2 -29,-0.0 -0.509 74.6-113.3 -78.2 146.4 14.7 -0.2 14.3 60 65 A A > - 0 0 34 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.437 38.1-106.3 -69.2 158.1 10.9 -0.7 14.2 61 66 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.831 120.4 50.6 -56.7 -38.6 9.2 2.5 13.0 62 67 A E H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.849 108.8 52.6 -71.0 -33.6 7.8 3.3 16.4 63 68 A E H > S+ 0 0 90 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.931 109.0 50.6 -61.1 -48.7 11.3 2.8 17.9 64 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.914 108.8 52.0 -57.4 -42.7 12.6 5.3 15.3 65 70 A L H X S+ 0 0 13 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.912 104.0 55.4 -62.5 -40.3 9.9 7.7 16.2 66 71 A N H X S+ 0 0 83 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.954 112.0 46.4 -56.4 -42.7 10.8 7.6 19.9 67 72 A H H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 111.9 46.7 -66.8 -44.4 14.4 8.5 18.9 68 73 A T H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.904 113.8 50.2 -66.4 -34.8 13.5 11.4 16.5 69 74 A Q H X S+ 0 0 80 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.901 109.9 50.4 -67.3 -39.6 11.1 12.7 19.2 70 75 A R H X S+ 0 0 83 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.915 109.8 51.3 -59.7 -44.2 13.9 12.5 21.8 71 76 A I H X>S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.908 105.3 55.7 -64.7 -39.6 16.2 14.4 19.4 72 77 A E H X5S+ 0 0 22 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.943 113.1 41.8 -57.3 -44.2 13.6 17.1 18.9 73 78 A L H <5S+ 0 0 117 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.923 120.5 40.8 -67.6 -41.7 13.5 17.6 22.7 74 79 A Q H <5S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.863 127.6 28.0 -78.5 -37.6 17.2 17.4 23.3 75 80 A Q H <5S+ 0 0 73 -4,-2.9 2,-0.4 -5,-0.2 -3,-0.2 0.531 88.9 111.1-102.7 -11.0 18.6 19.3 20.3 76 81 A G ><< - 0 0 13 -4,-1.3 3,-2.0 -5,-0.5 7,-0.1 -0.608 61.5-145.6 -73.5 125.9 15.7 21.7 19.6 77 82 A R T 3 S+ 0 0 210 -2,-0.4 -1,-0.2 1,-0.3 -4,-0.0 0.760 109.4 18.2 -53.2 -32.7 16.8 25.3 20.4 78 83 A G T > S- 0 0 38 1,-0.6 3,-0.9 -6,-0.1 -1,-0.3 -0.200 121.9-107.1-134.0 36.8 13.1 25.7 21.5 79 90 A G G X> S- 0 0 16 -3,-2.0 3,-0.9 1,-0.2 -1,-0.6 -0.296 82.4 -16.4 68.2-151.4 12.3 22.0 21.8 80 91 A P G 34 S+ 0 0 54 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.758 129.4 68.6 -56.7 -23.7 10.1 20.3 19.1 81 92 A R G <4 S+ 0 0 226 -3,-0.9 -2,-0.2 1,-0.2 -71,-0.1 0.898 106.1 34.6 -71.3 -33.5 8.9 23.6 17.8 82 93 A T T <4 S+ 0 0 22 -3,-0.9 2,-0.3 1,-0.2 -71,-0.3 0.232 122.7 47.4 -98.7 4.2 12.2 24.9 16.3 83 94 A L < - 0 0 0 -4,-0.5 2,-0.5 -3,-0.4 -74,-0.2 -0.905 69.3-174.1-144.3 121.3 13.4 21.5 15.2 84 95 A D E -B 8 0A 65 -76,-2.5 -76,-2.3 -2,-0.3 2,-0.6 -0.985 7.2-173.1-125.6 119.4 11.0 19.1 13.3 85 96 A L E -B 7 0A 4 -2,-0.5 2,-0.4 -78,-0.2 -78,-0.2 -0.943 13.7-177.4-113.8 105.9 12.0 15.6 12.5 86 97 A D E -B 6 0A 27 -80,-2.3 -80,-3.1 -2,-0.6 2,-0.9 -0.871 25.8-133.6-111.4 129.3 9.3 14.0 10.3 87 98 A I E +B 5 0A 11 -2,-0.4 -82,-0.2 -82,-0.2 17,-0.2 -0.713 27.3 175.3 -81.9 112.4 9.3 10.5 9.1 88 99 A M E - 0 0 0 -84,-2.5 16,-1.6 -2,-0.9 2,-0.3 0.947 65.9 -0.6 -80.3 -51.5 8.5 10.7 5.4 89 100 A L E -B 4 0A 5 -85,-1.6 -85,-2.8 14,-0.2 2,-0.4 -0.976 50.4-160.3-139.5 147.6 8.9 7.1 4.5 90 101 A F E > -B 3 0A 3 3,-0.5 3,-2.9 -2,-0.3 -87,-0.2 -0.887 68.1 -71.7-127.9 91.9 9.9 3.9 6.4 91 102 A G T 3 S- 0 0 31 -89,-2.6 -1,-0.3 -2,-0.4 -87,-0.1 -0.335 100.7 -37.2 50.9-135.6 10.9 1.5 3.6 92 103 A N T 3 S+ 0 0 109 -3,-0.1 -1,-0.3 34,-0.1 2,-0.2 0.073 102.0 137.9 -94.7 18.3 7.7 0.5 1.9 93 104 A E < - 0 0 93 -3,-2.9 2,-0.5 1,-0.0 -3,-0.5 -0.449 42.7-154.1 -72.4 140.9 5.7 0.5 5.1 94 105 A V + 0 0 89 -2,-0.2 2,-0.4 33,-0.1 -2,-0.1 -0.952 20.6 178.2-105.1 123.1 2.3 1.9 5.3 95 106 A I E +F 102 0B 20 7,-2.7 7,-2.7 -2,-0.5 2,-0.2 -0.989 18.5 167.8-131.0 127.3 1.5 2.9 8.8 96 107 A N E +F 101 0B 121 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.648 30.6 138.5-137.0 80.1 -1.8 4.5 10.1 97 108 A T - 0 0 71 3,-3.4 3,-0.1 -2,-0.2 -2,-0.1 -0.632 69.9 -94.7-116.2 174.5 -1.7 4.4 13.9 98 109 A E S S+ 0 0 191 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.899 127.0 31.9 -55.3 -40.1 -2.6 6.9 16.6 99 110 A R S S+ 0 0 117 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.768 121.3 40.0 -91.5 -19.0 1.0 8.0 16.7 100 111 A L - 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