==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-NOV-95 1MBB . COMPND 2 MOLECULE: URIDINE DIPHOSPHO-N-ACETYLENOLPYRUVYLGLUCOSAMINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.E.BENSON,W.J.LEES,C.T.WALSH,J.M.HOGLE . 340 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 41 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 1 1 0 0 0 2 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 3 0 1 1 2 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 . 1 3 1 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 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 3 A H 0 0 130 0, 0.0 14,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.4 4.1 -13.5 14.5 2 4 A S B -A 14 0A 49 12,-0.2 12,-0.2 1,-0.1 4,-0.2 -0.395 360.0-164.6 -69.3 123.7 6.3 -10.6 13.5 3 5 A L > + 0 0 0 10,-3.0 3,-1.3 -2,-0.3 4,-0.3 0.661 65.0 101.9 -76.7 -12.9 5.5 -6.9 14.3 4 6 A K G > S+ 0 0 89 9,-0.5 3,-0.7 1,-0.2 6,-0.3 0.755 81.2 44.3 -49.8 -37.5 8.0 -5.5 11.8 5 7 A P G 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.773 108.7 62.0 -69.6 -24.7 5.6 -4.6 8.9 6 8 A W G < S+ 0 0 76 -3,-1.3 2,-0.3 -4,-0.2 -2,-0.2 0.294 100.4 54.0 -88.1 2.2 3.2 -3.1 11.4 7 9 A N S X S- 0 0 3 -3,-0.7 3,-1.9 -4,-0.3 41,-0.2 -0.977 71.3-141.0-141.2 130.5 5.6 -0.4 12.7 8 10 A T T 3 S+ 0 0 28 39,-1.4 216,-0.5 38,-0.4 40,-0.2 0.760 98.0 70.1 -63.2 -25.3 7.4 2.2 10.6 9 11 A F T 3 S- 0 0 1 38,-0.6 -1,-0.3 41,-0.4 214,-0.2 0.681 102.0-130.1 -62.5 -16.3 10.5 2.0 12.7 10 12 A G < + 0 0 20 -3,-1.9 2,-0.4 -6,-0.3 -6,-0.1 0.741 46.5 165.2 72.2 21.2 11.1 -1.5 11.2 11 13 A I - 0 0 1 -8,-0.1 2,-1.0 -4,-0.1 -1,-0.2 -0.537 30.5-141.6 -75.5 125.2 11.6 -3.0 14.7 12 14 A D + 0 0 87 284,-0.5 2,-0.3 -2,-0.4 286,-0.2 -0.756 46.2 127.6 -98.1 98.5 11.5 -6.8 14.8 13 15 A H - 0 0 35 -2,-1.0 -10,-3.0 284,-0.1 -9,-0.5 -0.867 48.3-114.3-130.7 177.9 9.7 -8.1 17.8 14 16 A N B -A 2 0A 69 -2,-0.3 42,-2.7 -12,-0.2 2,-0.3 -0.773 15.5-160.5-124.5 155.0 6.8 -10.6 18.1 15 17 A A E -b 56 0B 3 -14,-2.5 3,-0.2 -2,-0.3 42,-0.2 -0.930 28.4-124.7-127.8 156.1 3.2 -10.7 19.2 16 18 A Q E S+ 0 0 117 42,-1.1 2,-0.4 40,-0.9 43,-0.2 0.957 98.9 3.7 -67.0 -39.7 1.0 -13.6 20.2 17 19 A H E -b 59 0B 69 41,-1.7 43,-2.9 -16,-0.1 2,-0.4 -0.999 61.4-168.4-144.1 139.7 -1.6 -12.6 17.6 18 20 A I E +b 60 0B 27 -2,-0.4 2,-0.3 41,-0.2 43,-0.2 -0.992 21.2 176.7-122.6 134.8 -1.6 -9.8 15.0 19 21 A V E -b 61 0B 36 41,-3.0 43,-2.8 -2,-0.4 2,-0.7 -0.976 28.5-136.4-148.2 126.8 -5.0 -9.2 13.4 20 22 A C E -b 62 0B 57 -2,-0.3 2,-1.0 41,-0.2 43,-0.2 -0.719 16.4-158.3 -81.5 110.4 -6.5 -6.7 10.8 21 23 A A E +b 63 0B 2 41,-1.8 43,-2.2 -2,-0.7 6,-0.1 -0.721 12.9 178.4 -86.0 102.5 -10.0 -5.4 11.9 22 24 A E + 0 0 133 -2,-1.0 44,-0.5 41,-0.1 2,-0.3 0.488 68.9 24.5 -89.2 2.3 -11.6 -4.2 8.7 23 25 A D S > S- 0 0 50 42,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.978 87.2-104.0-146.0 167.9 -14.9 -3.2 10.4 24 26 A E H > S+ 0 0 33 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.927 117.3 51.9 -59.2 -45.1 -16.0 -2.2 14.0 25 27 A Q H > S+ 0 0 123 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 108.9 53.8 -56.9 -39.7 -17.6 -5.6 15.0 26 28 A Q H > S+ 0 0 59 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 108.4 47.2 -58.3 -48.9 -14.4 -7.3 13.9 27 29 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.917 112.2 50.5 -58.7 -47.3 -12.2 -5.2 16.1 28 30 A L H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 109.8 51.2 -63.0 -39.7 -14.6 -5.8 19.0 29 31 A N H X S+ 0 0 97 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.985 109.8 48.3 -59.6 -53.5 -14.5 -9.5 18.4 30 32 A A H X S+ 0 0 15 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.868 113.6 48.1 -57.7 -37.2 -10.7 -9.6 18.3 31 33 A W H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.932 111.6 48.3 -67.0 -50.0 -10.5 -7.6 21.5 32 34 A Q H X S+ 0 0 90 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.924 112.8 50.7 -58.1 -43.0 -13.1 -9.7 23.4 33 35 A Y H X S+ 0 0 142 -4,-2.9 4,-1.8 -5,-0.2 6,-0.2 0.972 113.8 40.8 -61.0 -58.7 -11.2 -12.9 22.3 34 36 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 -2,-0.2 0.926 117.0 47.9 -60.6 -44.2 -7.7 -11.9 23.4 35 37 A T H ><5S+ 0 0 51 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.834 109.2 54.7 -68.5 -29.0 -8.8 -10.2 26.7 36 38 A A H 3<5S+ 0 0 84 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.843 106.1 52.9 -69.1 -31.4 -11.0 -13.4 27.4 37 39 A E T 3<5S- 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.223 126.5-104.9 -83.4 21.2 -7.7 -15.3 26.9 38 40 A G T < 5S+ 0 0 69 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.584 78.1 139.7 67.7 8.6 -6.0 -13.1 29.6 39 41 A Q < - 0 0 36 -5,-2.9 -1,-0.2 -6,-0.2 2,-0.2 -0.569 53.5-121.6 -85.3 146.9 -4.1 -11.2 26.8 40 42 A P - 0 0 33 0, 0.0 19,-2.4 0, 0.0 2,-0.4 -0.506 27.0-140.4 -73.7 149.2 -3.4 -7.4 26.4 41 43 A V E -c 59 0B 19 17,-0.2 2,-0.4 -2,-0.2 19,-0.2 -0.927 15.7-171.4-121.0 138.5 -4.7 -5.7 23.3 42 44 A L E -c 60 0B 19 17,-2.3 19,-2.8 -2,-0.4 2,-0.5 -0.994 9.9-154.3-123.7 121.9 -3.0 -3.0 21.3 43 45 A I E -c 61 0B 48 -2,-0.4 2,-0.4 17,-0.2 19,-0.2 -0.820 18.0-176.3 -94.3 136.2 -4.8 -1.2 18.5 44 46 A L E -c 62 0B 9 17,-2.9 19,-2.9 -2,-0.5 -37,-0.0 -0.984 24.2-170.9-129.9 139.5 -2.6 0.2 15.7 45 47 A G S S- 0 0 6 -2,-0.4 -1,-0.1 17,-0.2 39,-0.1 0.542 88.4 -30.0 -79.5-103.0 -3.2 2.3 12.6 46 48 A E S S- 0 0 57 16,-0.1 -38,-0.4 65,-0.0 64,-0.1 0.353 78.6-119.5 -92.7 6.8 0.1 2.3 10.7 47 49 A G > + 0 0 5 -40,-0.2 -39,-1.4 1,-0.1 -38,-0.6 0.820 69.6 136.9 56.9 26.6 2.5 1.9 13.7 48 50 A S T 3 S+ 0 0 26 -41,-0.2 -1,-0.1 1,-0.2 -41,-0.1 0.506 71.7 40.8 -82.5 0.9 4.2 5.2 12.8 49 51 A N T 3 S+ 0 0 30 275,-0.1 276,-3.2 177,-0.0 2,-0.4 0.120 97.6 92.6-127.2 15.7 4.3 6.5 16.4 50 52 A V E < -d 325 0C 13 -3,-0.5 2,-0.5 274,-0.2 -41,-0.4 -0.881 48.5-163.5-120.6 140.8 5.3 3.3 18.4 51 53 A L E -d 326 0C 0 274,-2.9 276,-2.4 -2,-0.4 2,-0.5 -0.968 17.4-146.9-114.4 111.1 8.5 1.8 19.6 52 54 A F E -d 327 0C 1 -2,-0.5 276,-0.2 274,-0.2 246,-0.1 -0.656 14.8-176.2 -75.4 121.1 8.2 -1.9 20.6 53 55 A L - 0 0 28 274,-3.2 2,-0.2 -2,-0.5 275,-0.2 0.847 64.2 -2.7 -84.1 -31.7 10.7 -2.6 23.4 54 56 A E S S- 0 0 94 273,-0.8 2,-0.4 244,-0.1 273,-0.0 -0.688 96.4 -59.8-142.6-178.7 10.1 -6.3 23.8 55 57 A D - 0 0 83 -2,-0.2 2,-0.6 -42,-0.2 -40,-0.2 -0.669 59.1-122.3 -71.6 134.1 8.1 -9.2 22.5 56 58 A Y E -b 15 0B 5 -42,-2.7 -40,-0.9 -2,-0.4 274,-0.2 -0.695 12.4-152.2 -84.7 119.8 4.4 -8.4 23.1 57 59 A R E S+ 0 0 167 272,-2.2 273,-0.1 -2,-0.6 -1,-0.1 0.615 72.6 35.2 -68.2 -8.5 2.5 -11.0 25.2 58 60 A G E S- 0 0 0 271,-0.5 -41,-1.7 -19,-0.2 -42,-1.1 -0.165 94.9 -49.8-124.6-147.5 -1.0 -10.3 23.7 59 61 A T E -bc 17 41B 0 -19,-2.4 -17,-2.3 -43,-0.2 2,-0.7 -0.850 32.0-154.6-108.2 131.0 -2.9 -9.3 20.5 60 62 A V E -bc 18 42B 0 -43,-2.9 -41,-3.0 -2,-0.5 2,-0.5 -0.869 9.8-160.2-100.1 111.9 -2.2 -6.5 18.2 61 63 A I E -bc 19 43B 0 -19,-2.8 -17,-2.9 -2,-0.7 2,-0.7 -0.804 7.3-150.2 -91.4 127.3 -5.2 -5.3 16.2 62 64 A I E -bc 20 44B 0 -43,-2.8 -41,-1.8 -2,-0.5 2,-0.7 -0.878 20.2-135.3 -94.8 106.0 -4.5 -3.3 13.0 63 65 A N E +b 21 0B 9 -19,-2.9 -41,-0.1 -2,-0.7 50,-0.1 -0.526 39.9 158.0 -67.7 109.4 -7.4 -0.8 12.6 64 66 A R + 0 0 49 -43,-2.2 2,-0.8 -2,-0.7 -1,-0.1 -0.085 14.6 142.9-125.3 39.3 -8.4 -0.9 9.0 65 67 A I - 0 0 20 -42,-0.1 19,-2.4 20,-0.1 20,-0.6 -0.647 33.1-178.6 -79.4 107.7 -12.0 0.4 9.2 66 68 A K + 0 0 111 -2,-0.8 17,-0.2 -44,-0.5 2,-0.1 -0.392 23.5 99.4-108.7-169.6 -12.4 2.5 6.1 67 69 A G - 0 0 41 15,-0.2 15,-3.0 -2,-0.1 2,-0.4 -0.057 45.1-130.7 107.5 137.8 -14.8 4.7 4.2 68 70 A I E -F 81 0D 50 13,-0.2 2,-0.4 -2,-0.1 13,-0.2 -0.959 16.3-168.2-119.1 140.0 -15.4 8.5 3.9 69 71 A E E -F 80 0D 126 11,-1.3 11,-2.4 -2,-0.4 2,-0.6 -0.998 5.6-158.4-126.2 129.0 -18.7 10.2 4.3 70 72 A I E -F 79 0D 75 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.886 6.4-170.8-111.8 108.0 -19.2 13.9 3.3 71 73 A H E -F 78 0D 112 7,-3.7 7,-2.4 -2,-0.6 2,-0.3 -0.856 17.8-136.8 -99.5 122.1 -22.1 15.9 4.9 72 74 A D E +F 77 0D 101 -2,-0.6 5,-0.2 5,-0.2 3,-0.0 -0.561 26.4 169.1 -76.1 127.3 -22.9 19.3 3.5 73 75 A E E > -F 76 0D 64 3,-1.6 3,-0.7 -2,-0.3 107,-0.1 -0.951 46.1-113.2-126.1 154.5 -23.7 22.3 5.6 74 76 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.863 117.2 38.3 -58.3 -34.0 -23.9 25.9 4.1 75 77 A D T 3 S+ 0 0 73 1,-0.2 105,-2.2 105,-0.1 106,-0.6 0.655 124.9 7.6 -82.1 -24.7 -20.7 26.9 6.1 76 78 A A E < -FG 73 179D 0 -3,-0.7 -3,-1.6 103,-0.3 2,-0.5 -0.999 60.9-114.8-164.4 146.8 -18.6 23.7 5.9 77 79 A W E -FG 72 178D 43 101,-2.7 101,-2.9 -2,-0.3 2,-0.6 -0.829 33.8-156.9 -89.0 126.8 -18.0 20.3 4.5 78 80 A Y E -FG 71 177D 56 -7,-2.4 -7,-3.7 -2,-0.5 2,-0.4 -0.942 6.6-161.3-107.1 123.2 -18.2 17.7 7.3 79 81 A L E -FG 70 176D 1 97,-2.6 97,-2.9 -2,-0.6 2,-0.6 -0.849 12.8-161.2-111.2 135.6 -16.4 14.4 6.8 80 82 A H E -FG 69 175D 52 -11,-2.4 -11,-1.3 -2,-0.4 2,-0.4 -0.964 24.9-172.4-113.9 102.2 -17.0 11.2 8.7 81 83 A V E -FG 68 174D 0 93,-2.7 93,-2.4 -2,-0.6 -13,-0.2 -0.834 23.4-118.9-107.8 130.8 -13.9 9.2 8.1 82 84 A G E > - 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0 0 7 -5,-3.2 3,-0.2 -6,-0.2 -1,-0.1 -0.739 42.0-178.7-121.4 80.5 -12.5 20.6 -0.0 100 102 A P + 0 0 16 0, 0.0 83,-0.0 0, 0.0 -9,-0.0 -0.272 41.8 93.1 -75.8 167.4 -9.3 22.4 1.2 101 103 A G S S+ 0 0 8 77,-0.1 3,-0.1 81,-0.1 76,-0.1 0.240 75.9 70.1 130.7 -8.5 -8.2 22.8 4.8 102 104 A L > + 0 0 0 -3,-0.2 3,-1.9 -11,-0.2 -11,-0.1 0.599 62.9 101.7-108.1 -13.6 -5.9 19.8 5.4 103 105 A E G > S+ 0 0 2 1,-0.3 3,-1.1 2,-0.2 105,-0.1 0.714 75.4 59.0 -44.7 -31.2 -2.9 20.7 3.2 104 106 A N G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -3,-0.1 21,-0.1 0.808 103.7 53.8 -71.3 -26.3 -0.6 21.8 6.1 105 107 A L G X S+ 0 0 0 -3,-1.9 3,-0.9 -4,-0.1 -1,-0.3 0.031 85.8 143.5 -93.7 19.5 -0.9 18.3 7.6 106 108 A A T < + 0 0 0 -3,-1.1 -18,-0.1 1,-0.2 -3,-0.1 -0.325 62.2 9.8 -61.8 139.1 0.2 16.8 4.3 107 109 A L T 3 S+ 0 0 57 1,-0.2 -1,-0.2 -19,-0.1 -19,-0.1 0.355 80.6 142.3 72.6 -3.6 2.4 13.7 4.2 108 110 A I < - 0 0 20 -3,-0.9 -20,-0.6 1,-0.1 -1,-0.2 -0.470 49.1-129.4 -59.0 122.0 2.1 13.0 8.0 109 111 A P + 0 0 57 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.280 57.3 58.2 -69.1 173.0 1.9 9.1 8.1 110 112 A G S S- 0 0 5 -64,-0.1 -23,-2.5 -65,-0.1 -22,-0.4 -0.356 81.8 -55.0 98.4 176.7 -0.6 7.0 9.9 111 113 A C B >> -J 86 0E 4 -25,-0.3 4,-0.8 -24,-0.1 3,-0.6 -0.524 43.1-114.9 -90.8 158.5 -4.3 6.4 10.0 112 114 A V G >4 S+ 0 0 0 -27,-2.7 3,-1.4 -30,-0.4 -29,-0.2 0.944 112.2 60.5 -65.0 -36.5 -7.1 8.9 10.5 113 115 A G G 34 S+ 0 0 5 -30,-1.7 4,-0.5 1,-0.3 -1,-0.2 0.825 104.4 50.3 -59.4 -28.7 -8.2 7.3 13.9 114 116 A S G <> S+ 0 0 44 -3,-0.6 4,-1.0 -31,-0.4 -1,-0.3 0.701 89.2 82.9 -82.2 -21.4 -4.8 7.9 15.3 115 117 A S T <<>S+ 0 0 4 -3,-1.4 5,-2.1 -4,-0.8 12,-0.2 0.845 90.9 47.6 -60.0 -36.0 -4.7 11.6 14.3 116 118 A P T >45S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.924 99.3 72.6 -62.0 -36.8 -6.8 12.9 17.4 117 119 A I T 345S+ 0 0 40 -4,-0.5 45,-0.2 1,-0.3 -2,-0.2 0.811 116.5 15.6 -52.2 -47.5 -4.6 10.8 19.8 118 120 A Q T 3<5S- 0 0 22 -4,-1.0 39,-0.3 -3,-0.2 -1,-0.3 0.089 106.5-115.4-112.0 25.9 -1.6 13.0 19.6 119 121 A N T < 5 - 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