==== 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 LYASE 02-NOV-99 1DB3 . COMPND 2 MOLECULE: GDP-MANNOSE 4,6-DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.SOMOZA,S.MENON,W.S.SOMERS,F.X.SULLIVAN . 335 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 4.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 1 2 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 S 0 0 128 0, 0.0 25,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-177.7 2.9 70.2 -8.7 2 2 A K - 0 0 73 23,-0.1 25,-2.3 57,-0.0 2,-0.4 -0.399 360.0-146.1 -74.8 150.7 2.5 68.6 -5.3 3 3 A V E -a 27 0A 16 23,-0.2 57,-2.5 55,-0.1 58,-1.8 -0.975 15.4-174.6-123.3 135.3 3.0 70.7 -2.2 4 4 A A E -ab 28 61A 0 23,-2.5 25,-3.0 -2,-0.4 2,-0.4 -0.950 14.9-155.0-131.4 150.5 4.4 69.6 1.1 5 5 A L E -ab 29 62A 5 56,-2.2 58,-2.8 -2,-0.3 2,-0.4 -0.985 13.3-168.2-121.1 132.3 4.9 71.1 4.6 6 6 A I E > -ab 30 63A 0 23,-2.5 25,-1.7 -2,-0.4 3,-0.5 -0.987 7.4-156.3-124.6 124.6 7.7 69.8 6.8 7 7 A T E 3 S+ab 31 64A 2 56,-2.8 58,-1.1 -2,-0.4 25,-0.2 -0.817 86.5 28.9 -98.2 143.7 8.0 70.7 10.5 8 8 A G T > S+ 0 0 7 23,-1.7 3,-1.5 -2,-0.4 6,-0.5 0.842 79.9 165.3 75.0 35.3 11.5 70.3 12.0 9 9 A V T < + 0 0 5 22,-2.3 9,-0.2 -3,-0.5 23,-0.2 0.652 63.3 52.6 -63.0 -19.2 12.8 71.2 8.4 10 10 A T T 3 S+ 0 0 91 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.423 88.2 95.2 -99.2 -0.1 16.4 71.9 9.4 11 11 A G S <> S- 0 0 33 -3,-1.5 4,-2.7 55,-0.1 5,-0.3 -0.168 96.1 -88.4 -77.0-177.1 17.2 68.7 11.4 12 12 A Q H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.962 128.1 38.2 -54.4 -55.4 18.9 65.6 9.9 13 13 A D H > S+ 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 116.3 51.0 -67.2 -40.6 15.6 64.1 8.7 14 14 A G H > S+ 0 0 1 -6,-0.5 4,-2.9 2,-0.2 5,-0.2 0.936 110.0 49.1 -64.7 -45.4 14.0 67.3 7.6 15 15 A S H X S+ 0 0 29 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.949 115.7 44.0 -61.3 -45.8 17.0 68.4 5.5 16 16 A Y H X S+ 0 0 10 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.886 114.4 48.9 -66.5 -37.2 17.1 65.1 3.8 17 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.908 108.4 54.0 -69.1 -38.9 13.4 64.8 3.3 18 18 A A H X S+ 0 0 7 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.916 111.4 46.0 -59.4 -41.3 13.3 68.4 1.8 19 19 A E H X S+ 0 0 88 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.945 111.2 51.6 -64.1 -50.0 15.9 67.4 -0.7 20 20 A F H X S+ 0 0 45 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.909 114.7 42.8 -53.4 -47.7 14.1 64.1 -1.6 21 21 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 -1,-0.2 0.858 111.5 52.7 -71.2 -37.5 10.9 66.0 -2.2 22 22 A L H ><5S+ 0 0 52 -4,-2.3 3,-2.5 -5,-0.2 -2,-0.2 0.932 105.2 56.6 -63.0 -43.5 12.4 68.9 -4.1 23 23 A E H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.9 54.3 -55.8 -34.0 14.1 66.4 -6.4 24 24 A K T 3<5S- 0 0 89 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.367 126.5-102.3 -82.9 5.7 10.6 65.0 -7.2 25 25 A G T < 5 + 0 0 43 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.621 69.9 150.9 86.2 12.9 9.4 68.4 -8.2 26 26 A Y < - 0 0 10 -5,-2.5 2,-0.6 -25,-0.1 -1,-0.2 -0.355 50.3-126.0 -75.4 158.5 7.5 69.3 -5.0 27 27 A E E -a 3 0A 68 -25,-2.3 -23,-2.5 -2,-0.1 2,-0.5 -0.933 37.9-154.5 -98.6 123.9 7.1 72.9 -3.7 28 28 A V E -ac 4 37A 0 8,-2.9 10,-3.3 -2,-0.6 2,-0.4 -0.929 18.1-175.9-114.9 124.2 8.4 72.5 -0.2 29 29 A H E +ac 5 38A 14 -25,-3.0 -23,-2.5 -2,-0.5 2,-0.3 -0.887 14.0 178.2-112.3 142.9 7.5 74.7 2.8 30 30 A G E -ac 6 39A 0 8,-2.8 10,-2.5 -2,-0.4 2,-0.3 -0.955 23.7-161.0-144.9 163.8 9.1 74.3 6.2 31 31 A I E -a 7 0A 7 -25,-1.7 -22,-2.3 -2,-0.3 -23,-1.7 -0.982 32.0-115.3-138.1 145.0 9.4 75.5 9.8 32 32 A K 0 0 116 8,-0.5 -24,-0.1 -2,-0.3 8,-0.0 -0.286 360.0 360.0 -76.6 165.9 12.2 74.8 12.2 33 33 A R 0 0 72 -26,-0.1 10,-0.1 33,-0.1 -1,-0.1 -0.839 360.0 360.0 -98.7 360.0 12.0 72.8 15.4 34 ! 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 35 55 A P 0 0 156 0, 0.0 -8,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -75.9 13.8 78.1 -5.3 36 56 A K + 0 0 40 -10,-0.1 -8,-2.9 2,-0.0 2,-0.4 0.027 360.0 99.4-104.2 19.9 10.7 76.0 -4.7 37 57 A F E -c 28 0A 70 -10,-0.2 2,-0.4 -8,-0.0 -8,-0.2 -0.933 53.6-172.0-111.6 132.2 11.7 75.9 -1.0 38 58 A H E -c 29 0A 71 -10,-3.3 -8,-2.8 -2,-0.4 2,-0.4 -0.977 10.1-156.9-132.7 126.3 10.0 78.2 1.5 39 59 A L E -c 30 0A 91 -2,-0.4 2,-0.3 -10,-0.2 -8,-0.2 -0.793 13.4-168.5 -98.5 137.8 10.9 78.8 5.1 40 60 A H - 0 0 34 -10,-2.5 -8,-0.5 -2,-0.4 2,-0.3 -0.898 24.7-112.2-123.2 154.0 8.3 80.1 7.5 41 61 A Y + 0 0 208 -2,-0.3 2,-0.2 -10,-0.1 -10,-0.0 -0.612 68.9 82.8 -81.5 146.9 8.6 81.5 11.1 42 62 A G - 0 0 16 -2,-0.3 -10,-0.3 1,-0.1 -2,-0.1 -0.529 52.3-146.0 138.1 156.1 7.0 79.3 13.8 43 63 A D - 0 0 43 -2,-0.2 45,-0.1 -12,-0.1 -1,-0.1 0.220 56.5 -96.6-136.7 14.2 7.5 76.3 16.0 44 64 A L S S+ 0 0 13 2,-0.2 47,-0.2 -11,-0.1 48,-0.1 0.554 101.6 102.0 82.2 6.6 4.0 74.7 16.4 45 65 A S S S+ 0 0 44 1,-0.2 2,-0.6 46,-0.0 -1,-0.0 0.617 70.2 69.4 -93.6 -12.7 3.2 76.4 19.7 46 66 A D > - 0 0 80 1,-0.2 4,-2.5 2,-0.0 5,-0.3 -0.873 59.9-169.3-114.1 103.3 1.0 79.0 18.0 47 67 A T H > S+ 0 0 75 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.876 88.8 51.1 -56.1 -42.6 -2.3 77.7 16.6 48 68 A S H > S+ 0 0 93 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 111.1 47.0 -64.1 -44.5 -3.1 80.9 14.7 49 69 A N H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.928 115.3 44.2 -67.1 -42.9 0.3 81.1 13.0 50 70 A L H X S+ 0 0 8 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.876 112.4 50.8 -74.5 -31.2 0.3 77.5 11.9 51 71 A T H X S+ 0 0 21 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.925 110.2 51.7 -67.8 -40.7 -3.3 77.5 10.7 52 72 A R H X S+ 0 0 100 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.928 110.5 48.8 -57.6 -47.6 -2.5 80.6 8.7 53 73 A I H X S+ 0 0 5 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.928 112.3 46.7 -60.9 -46.6 0.5 78.9 7.2 54 74 A L H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.889 111.0 54.3 -63.4 -36.5 -1.5 75.8 6.3 55 75 A R H < S+ 0 0 156 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 114.0 40.2 -64.0 -40.1 -4.2 78.0 4.8 56 76 A E H < S+ 0 0 105 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 121.6 42.5 -75.9 -37.8 -1.7 79.8 2.6 57 77 A V H < S- 0 0 10 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.869 77.7-163.3 -78.5 -38.9 0.2 76.6 1.7 58 78 A Q < - 0 0 82 -4,-3.2 -55,-0.1 -5,-0.2 -3,-0.1 0.954 25.3-156.6 51.6 54.6 -2.7 74.2 1.1 59 79 A P - 0 0 0 0, 0.0 -55,-0.2 0, 0.0 -1,-0.1 -0.312 28.2-155.8 -67.0 146.1 -0.3 71.2 1.3 60 80 A D S S+ 0 0 37 -57,-2.5 46,-2.2 1,-0.2 2,-0.3 0.721 88.2 28.7 -85.0 -28.3 -1.1 67.8 -0.2 61 81 A E E -bd 4 106A 4 -58,-1.8 -56,-2.2 44,-0.2 2,-0.4 -0.996 64.1-166.4-138.9 141.4 1.3 66.4 2.4 62 82 A V E -bd 5 107A 0 44,-2.5 46,-2.5 -2,-0.3 2,-0.6 -0.995 4.4-163.9-129.3 128.4 2.4 67.3 5.9 63 83 A Y E -bd 6 108A 0 -58,-2.8 -56,-2.8 -2,-0.4 2,-1.4 -0.927 4.6-161.6-115.6 106.2 5.4 65.7 7.6 64 84 A N E +bd 7 109A 6 44,-3.2 46,-2.1 -2,-0.6 2,-0.4 -0.677 23.5 164.6 -91.6 85.1 5.4 66.3 11.4 65 85 A L + 0 0 7 -2,-1.4 2,-0.1 -58,-1.1 -56,-0.1 -0.797 4.1 160.6 -98.3 142.2 9.1 65.6 12.3 66 86 A G - 0 0 18 -2,-0.4 2,-0.3 1,-0.3 -52,-0.1 -0.056 52.3 -32.4-129.3-126.9 10.2 66.8 15.6 67 87 A A - 0 0 11 1,-0.1 -1,-0.3 14,-0.1 3,-0.1 -0.741 48.4-153.4 -96.4 151.1 13.1 65.9 17.9 68 88 A M + 0 0 50 -2,-0.3 2,-0.3 1,-0.2 46,-0.2 0.603 69.3 35.3-103.7 -11.2 14.2 62.3 17.6 69 89 A S > - 0 0 14 1,-0.1 4,-0.6 43,-0.1 3,-0.5 -0.993 67.5-129.0-145.5 148.8 15.7 61.7 21.0 70 90 A H T 4 S+ 0 0 82 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.792 114.6 57.0 -63.0 -23.8 15.3 62.7 24.6 71 91 A V T >4 S+ 0 0 57 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.819 99.7 55.1 -77.0 -30.3 19.0 63.6 24.4 72 92 A A T 34 S+ 0 0 52 -3,-0.5 -1,-0.2 1,-0.2 3,-0.2 0.621 107.9 52.7 -75.3 -10.0 18.6 66.0 21.5 73 93 A V T >< S+ 0 0 15 -4,-0.6 3,-2.1 -3,-0.4 -1,-0.2 0.334 73.7 117.7-107.1 4.5 16.0 67.8 23.7 74 94 A S T < S+ 0 0 73 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.770 72.7 47.9 -41.3 -46.9 18.2 68.3 26.8 75 95 A F T 3 S+ 0 0 213 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.428 94.3 88.0 -86.1 4.4 18.3 72.0 26.9 76 96 A E S < S- 0 0 56 -3,-2.1 -3,-0.0 1,-0.1 3,-0.0 -0.607 84.0-105.4 -96.0 158.3 14.5 72.7 26.6 77 97 A S > - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.551 30.0-118.2 -78.4 150.0 12.0 72.8 29.4 78 98 A P H > S+ 0 0 100 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.907 115.2 52.5 -54.0 -41.2 9.8 69.7 29.7 79 99 A E H > S+ 0 0 162 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.903 108.3 48.7 -64.8 -41.2 6.7 72.0 29.1 80 100 A Y H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.939 111.2 50.5 -64.7 -44.5 8.1 73.5 26.0 81 101 A T H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.939 113.7 44.8 -58.8 -46.4 9.0 70.0 24.6 82 102 A A H X>S+ 0 0 37 -4,-2.5 4,-2.2 -5,-0.2 5,-1.8 0.911 109.0 56.8 -65.2 -40.4 5.5 68.7 25.3 83 103 A D H <>S+ 0 0 45 -4,-2.5 5,-0.7 -5,-0.2 -1,-0.2 0.878 118.8 31.0 -59.2 -38.9 3.9 71.8 23.9 84 104 A V H <5S+ 0 0 2 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.864 126.7 37.8 -90.4 -36.7 5.6 71.4 20.5 85 105 A D H <5S+ 0 0 5 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.782 133.0 22.0 -86.5 -27.9 6.0 67.6 20.1 86 106 A A T >X5S+ 0 0 8 -4,-2.2 4,-1.4 -5,-0.4 3,-1.1 0.826 133.5 32.9-100.0 -69.5 2.7 66.6 21.7 87 107 A M H 3> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.946 109.4 48.0 -67.7 -46.3 0.7 67.4 16.6 90 110 A L H X S+ 0 0 38 -4,-1.4 4,-3.3 1,-0.2 5,-0.3 0.931 110.3 53.3 -59.3 -44.4 -2.8 68.0 17.8 91 111 A R H X S+ 0 0 35 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.932 108.6 48.9 -58.3 -44.3 -2.7 71.6 16.4 92 112 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.944 114.3 44.7 -60.9 -47.1 -1.6 70.4 13.0 93 113 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.935 114.5 49.4 -64.0 -43.5 -4.4 67.8 12.8 94 114 A E H X S+ 0 0 77 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.841 109.4 52.4 -65.1 -32.9 -7.0 70.2 14.1 95 115 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.895 104.3 55.5 -71.2 -38.4 -5.9 72.9 11.6 96 116 A I H <>S+ 0 0 1 -4,-2.1 5,-3.0 -5,-0.2 6,-0.4 0.920 113.6 42.3 -59.1 -40.0 -6.3 70.4 8.7 97 117 A R H ><5S+ 0 0 78 -4,-1.7 3,-1.9 3,-0.2 -2,-0.2 0.935 110.4 54.9 -70.6 -46.6 -9.9 69.8 9.9 98 118 A F H 3<5S+ 0 0 164 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.893 111.3 46.4 -52.1 -43.4 -10.6 73.5 10.5 99 119 A L T 3<5S- 0 0 43 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.407 114.3-116.0 -82.5 1.9 -9.6 74.3 7.0 100 120 A G T < 5S+ 0 0 53 -3,-1.9 3,-0.3 -5,-0.1 -3,-0.2 0.858 73.7 133.1 66.2 35.6 -11.6 71.5 5.4 101 121 A L >>< + 0 0 7 -5,-3.0 4,-2.9 -6,-0.2 3,-1.1 0.292 24.8 112.0-101.2 10.3 -8.5 69.7 4.2 102 122 A E T 34 S+ 0 0 63 -6,-0.4 55,-0.5 1,-0.3 -1,-0.2 0.820 83.9 44.5 -51.2 -34.7 -9.3 66.2 5.3 103 123 A K T 34 S+ 0 0 213 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.665 122.1 34.7 -85.6 -18.7 -9.6 65.1 1.7 104 124 A K T <4 S+ 0 0 91 -3,-1.1 2,-0.4 1,-0.1 -2,-0.2 0.826 103.9 69.6-103.7 -38.7 -6.5 66.8 0.3 105 125 A T < - 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