==== 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 UNKNOWN FUNCTION 03-AUG-06 2HXU . COMPND 2 MOLECULE: L-FUCONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,W.S.YEW,J.F.RAKUS,J.A.GERLT,S.C.ALMO . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 7.4 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 . 2 0.5 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 . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 1 2 2 2 0 3 0 4 0 1 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 2 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 PARALLEL BRIDGES PER LADDER . 3 2 0 0 0 0 0 1 1 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 . 0 1 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 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 2 A R 0 0 165 0, 0.0 77,-2.2 0, 0.0 78,-0.5 0.000 360.0 360.0 360.0 157.0 -36.0 98.0 8.2 2 3 A T B -A 77 0A 47 75,-0.3 39,-1.2 76,-0.1 2,-0.8 -0.931 360.0-109.5-131.7 153.0 -38.0 94.8 8.3 3 4 A I E +B 40 0B 0 73,-2.7 72,-3.3 -2,-0.3 37,-0.3 -0.744 38.9 177.8 -79.9 114.0 -37.2 91.1 9.1 4 5 A I E + 0 0 83 35,-2.1 2,-0.3 -2,-0.8 36,-0.2 0.564 55.6 9.0 -98.6 -9.8 -37.6 89.6 5.6 5 6 A A E -B 39 0B 26 34,-1.4 34,-2.4 68,-0.1 2,-0.6 -0.978 48.5-143.8-167.4 153.6 -36.7 86.0 6.2 6 7 A L E -B 38 0B 19 -2,-0.3 2,-0.4 32,-0.2 32,-0.2 -0.941 31.4-166.1-121.7 101.0 -35.9 83.4 8.8 7 8 A E E -B 37 0B 48 30,-2.6 30,-2.6 -2,-0.6 2,-0.3 -0.754 4.0-168.8 -95.5 136.7 -33.2 81.1 7.3 8 9 A T E -B 36 0B 41 -2,-0.4 2,-0.4 28,-0.2 28,-0.2 -0.943 7.0-171.2-128.1 148.1 -32.4 77.8 8.8 9 10 A H E -B 35 0B 61 26,-2.3 26,-2.1 -2,-0.3 2,-1.0 -0.999 21.5-141.3-140.7 135.1 -29.6 75.3 8.3 10 11 A D E +B 34 0B 21 -2,-0.4 413,-3.4 413,-0.2 2,-0.5 -0.820 34.3 177.7 -93.7 98.0 -29.0 71.7 9.6 11 12 A V E -BC 33 422B 0 22,-2.3 22,-3.0 -2,-1.0 2,-0.4 -0.916 5.7-179.1-110.6 126.5 -25.3 71.8 10.3 12 13 A R E -B 32 0B 18 409,-2.6 20,-0.2 -2,-0.5 19,-0.1 -0.982 13.5-154.9-129.9 135.1 -23.5 68.7 11.8 13 14 A F - 0 0 1 18,-2.7 2,-2.2 -2,-0.4 3,-0.3 -0.892 22.9-127.1-109.2 133.5 -19.8 68.2 12.7 14 15 A P > + 0 0 28 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.259 52.9 145.3 -73.7 53.3 -18.2 64.7 12.8 15 16 A T G > > + 0 0 8 -2,-2.2 5,-2.2 1,-0.3 3,-1.2 0.750 61.5 72.8 -63.6 -21.5 -16.9 65.0 16.4 16 17 A S G 3 5S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.682 76.0 80.5 -67.3 -16.2 -17.6 61.3 16.8 17 18 A R G < 5S+ 0 0 142 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.879 114.2 16.8 -57.5 -38.6 -14.6 60.5 14.6 18 19 A E T < 5S- 0 0 124 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.205 111.9-112.7-117.3 11.8 -12.3 61.1 17.5 19 20 A L T > 5 + 0 0 58 -4,-0.3 3,-1.7 1,-0.2 176,-0.4 0.784 52.8 172.2 60.6 30.7 -15.1 60.8 20.2 20 21 A D T 3 < + 0 0 23 -5,-2.2 11,-0.2 1,-0.3 -1,-0.2 -0.530 69.0 19.3 -69.4 133.8 -14.8 64.5 21.1 21 22 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.3 -2,-0.2 5,-0.1 0.372 91.6 152.1 87.7 -4.3 -17.6 65.3 23.5 22 23 A S < + 0 0 1 -3,-1.7 172,-2.0 5,-0.2 -1,-0.3 -0.271 12.7 160.4 -64.7 142.8 -18.2 61.7 24.4 23 24 A D - 0 0 12 3,-2.4 198,-0.1 170,-0.2 225,-0.1 -0.842 54.3 -80.5-148.1-176.6 -19.6 60.7 27.8 24 25 A A S S+ 0 0 12 196,-0.5 197,-0.1 223,-0.3 225,-0.1 0.803 127.7 32.7 -63.2 -32.6 -21.4 57.9 29.7 25 26 A M S S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.0 224,-0.1 0.851 127.1 38.1 -90.6 -42.5 -24.8 58.8 28.3 26 27 A N + 0 0 47 -5,-0.1 -3,-2.4 1,-0.1 -1,-0.3 -0.849 67.5 174.6-114.0 91.1 -23.8 60.1 24.9 27 28 A P S S+ 0 0 81 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.631 76.3 20.3 -73.4 -16.6 -21.0 57.8 23.7 28 29 A D S S+ 0 0 76 -7,-0.1 -12,-0.2 27,-0.1 -8,-0.1 -0.210 76.5 176.4-151.4 55.2 -20.6 59.3 20.2 29 30 A P - 0 0 4 0, 0.0 2,-0.6 0, 0.0 27,-0.2 -0.272 21.4-152.2 -65.4 146.6 -22.1 62.8 19.8 30 31 A D - 0 0 31 25,-2.2 -17,-0.1 -15,-0.2 24,-0.1 -0.906 28.7-127.7-117.4 93.5 -21.8 64.7 16.5 31 32 A Y + 0 0 7 -2,-0.6 -18,-2.7 -11,-0.2 2,-0.3 -0.201 40.4 178.8 -46.0 120.0 -21.8 68.3 17.7 32 33 A S E -BD 12 54B 0 22,-2.9 22,-2.0 -20,-0.2 2,-0.4 -0.898 24.0-150.0-131.3 158.5 -24.5 69.9 15.6 33 34 A A E -BD 11 53B 0 -22,-3.0 -22,-2.3 -2,-0.3 2,-1.4 -0.993 12.7-151.9-131.4 127.8 -26.2 73.3 15.2 34 35 A A E -BD 10 52B 1 18,-2.6 18,-1.5 -2,-0.4 2,-0.3 -0.835 40.7-157.4 -93.7 89.9 -29.8 74.0 14.1 35 36 A Y E -BD 9 51B 5 -26,-2.1 -26,-2.3 -2,-1.4 2,-0.4 -0.562 15.0-172.0 -80.1 133.7 -28.5 77.4 12.7 36 37 A V E -BD 8 50B 0 14,-2.7 14,-1.9 -2,-0.3 2,-0.4 -0.964 10.5-165.3-131.6 144.2 -30.9 80.3 12.2 37 38 A V E -BD 7 49B 7 -30,-2.6 -30,-2.6 -2,-0.4 2,-0.9 -0.990 12.1-153.1-130.0 125.2 -30.6 83.7 10.6 38 39 A L E -BD 6 48B 0 10,-3.3 10,-2.1 -2,-0.4 2,-0.3 -0.866 27.6-161.7 -94.2 103.7 -33.0 86.6 11.0 39 40 A R E -BD 5 47B 114 -34,-2.4 -35,-2.1 -2,-0.9 -34,-1.4 -0.698 9.5-173.3 -92.5 142.2 -32.4 88.5 7.7 40 41 A T E -B 3 0B 13 6,-0.6 -37,-0.2 -2,-0.3 6,-0.0 -0.743 36.7-115.6-125.1 173.4 -33.4 92.1 7.2 41 42 A D S S+ 0 0 73 -39,-1.2 3,-0.1 -2,-0.2 -38,-0.1 0.058 91.1 84.3 -97.6 24.7 -33.6 94.5 4.3 42 43 A G S S- 0 0 17 4,-0.4 -2,-0.1 1,-0.3 -3,-0.0 -0.026 94.9 -31.0-102.0-151.2 -31.0 96.7 6.0 43 44 A A > - 0 0 62 1,-0.1 3,-1.3 -2,-0.1 -1,-0.3 -0.227 60.3-111.7 -64.7 157.1 -27.2 96.5 6.0 44 45 A E T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.794 121.7 58.0 -59.4 -27.3 -25.5 93.1 5.7 45 46 A D T 3 S+ 0 0 96 1,-0.2 2,-1.7 80,-0.0 -1,-0.3 0.754 86.6 85.1 -73.5 -25.8 -24.4 93.7 9.3 46 47 A L < + 0 0 30 -3,-1.3 -6,-0.6 79,-0.1 -4,-0.4 -0.584 67.6 104.8 -82.6 84.2 -28.0 94.1 10.4 47 48 A A E -D 39 0B 6 -2,-1.7 2,-0.4 -8,-0.1 -8,-0.2 -0.967 61.8-126.6-154.1 159.9 -29.0 90.5 10.9 48 49 A G E -D 38 0B 0 -10,-2.1 -10,-3.3 -2,-0.3 2,-0.4 -0.955 22.0-166.3-117.5 134.0 -29.6 88.2 13.9 49 50 A Y E +D 37 0B 26 -2,-0.4 2,-0.3 69,-0.3 -12,-0.2 -0.917 17.4 147.1-120.3 147.3 -27.8 84.8 14.3 50 51 A G E -D 36 0B 0 -14,-1.9 -14,-2.7 -2,-0.4 2,-0.3 -0.956 19.0-160.8-161.5 174.9 -28.6 82.0 16.7 51 52 A L E -D 35 0B 0 -2,-0.3 2,-0.5 -16,-0.2 -16,-0.2 -0.970 18.4-133.8-166.2 149.7 -28.5 78.2 17.0 52 53 A V E -D 34 0B 1 -18,-1.5 -18,-2.6 -2,-0.3 2,-0.5 -0.923 30.9-134.3-105.0 132.9 -29.8 75.2 18.9 53 54 A F E +D 33 0B 28 -2,-0.5 2,-0.2 -20,-0.2 -20,-0.2 -0.786 36.1 156.4 -92.5 126.8 -27.1 72.8 19.9 54 55 A T E -D 32 0B 21 -22,-2.0 -22,-2.9 -2,-0.5 300,-0.3 -0.787 43.6-120.7-134.0 179.0 -27.8 69.1 19.4 55 56 A I - 0 0 65 2,-0.3 -25,-2.2 -2,-0.2 2,-0.5 -0.002 63.9 -75.4-119.3 34.6 -25.6 66.0 19.0 56 57 A G S > S+ 0 0 3 -27,-0.2 3,-2.2 -45,-0.1 4,-0.2 -0.913 103.8 62.6 124.5-111.4 -26.5 64.6 15.6 57 58 A R T 3 S+ 0 0 213 -2,-0.5 -2,-0.3 1,-0.3 -27,-0.1 -0.273 106.4 33.4 -55.2 140.2 -29.6 62.6 14.8 58 59 A G T 3> S+ 0 0 33 -4,-0.1 4,-2.5 -3,-0.1 3,-0.3 0.180 82.2 109.9 96.5 -16.5 -32.7 64.8 15.4 59 60 A N H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.827 76.5 56.4 -62.4 -28.2 -31.0 68.0 14.3 60 61 A D H > S+ 0 0 82 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 108.1 47.3 -68.7 -37.7 -33.2 68.0 11.2 61 62 A V H > S+ 0 0 82 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.920 112.4 49.6 -67.0 -44.2 -36.2 67.9 13.4 62 63 A Q H X S+ 0 0 5 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.890 111.3 49.1 -61.9 -40.0 -34.8 70.7 15.5 63 64 A T H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.908 109.3 52.6 -66.4 -40.7 -34.1 72.8 12.4 64 65 A A H X S+ 0 0 58 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.861 105.4 55.5 -62.4 -36.4 -37.6 72.1 11.2 65 66 A A H < S+ 0 0 12 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.892 109.6 45.8 -64.3 -39.5 -39.0 73.4 14.5 66 67 A V H >< S+ 0 0 1 -4,-1.6 3,-2.1 1,-0.2 -2,-0.2 0.936 109.6 54.1 -68.7 -44.5 -37.1 76.7 14.0 67 68 A A H >< S+ 0 0 41 -4,-2.6 3,-1.7 1,-0.3 4,-0.2 0.813 97.2 66.9 -58.5 -31.1 -38.2 77.0 10.4 68 69 A A T 3< S+ 0 0 68 -4,-1.6 -1,-0.3 1,-0.3 3,-0.3 0.568 90.5 65.0 -67.8 -8.3 -41.8 76.7 11.6 69 70 A L T X> S+ 0 0 0 -3,-2.1 3,-1.3 1,-0.2 4,-0.9 0.451 71.0 99.2 -93.5 -1.6 -41.5 80.0 13.3 70 71 A A H X> S+ 0 0 29 -3,-1.7 4,-3.0 1,-0.3 3,-1.2 0.895 78.3 53.7 -51.8 -48.2 -41.0 82.0 10.1 71 72 A E H 34 S+ 0 0 184 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.735 104.5 57.9 -62.0 -21.4 -44.6 83.2 9.9 72 73 A H H <4 S+ 0 0 41 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.727 122.2 20.5 -79.6 -23.1 -44.3 84.5 13.5 73 74 A V H X< S+ 0 0 0 -3,-1.2 3,-2.2 -4,-0.9 -70,-0.3 0.739 90.7 101.6-118.1 -34.6 -41.4 86.8 12.6 74 75 A V T 3< S+ 0 0 63 -4,-3.0 -70,-0.2 1,-0.3 3,-0.1 -0.366 90.1 26.1 -60.1 126.0 -41.2 87.6 8.9 75 76 A G T 3 S+ 0 0 52 -72,-3.3 -1,-0.3 1,-0.4 -71,-0.1 0.204 88.7 132.8 106.3 -14.6 -42.6 91.0 8.2 76 77 A L < - 0 0 38 -3,-2.2 -73,-2.7 -73,-0.2 -1,-0.4 -0.388 63.7-106.9 -71.9 148.4 -41.9 92.5 11.7 77 78 A S B > -A 2 0A 40 -75,-0.2 4,-2.2 1,-0.1 -75,-0.3 -0.591 18.4-142.2 -74.9 130.4 -40.3 95.9 12.1 78 79 A V H > S+ 0 0 3 -77,-2.2 4,-2.5 -2,-0.3 5,-0.3 0.923 102.9 51.1 -58.3 -45.6 -36.7 95.6 13.2 79 80 A D H > S+ 0 0 105 -78,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.886 109.9 49.9 -59.6 -40.5 -37.1 98.7 15.4 80 81 A K H > S+ 0 0 159 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.887 112.4 47.7 -66.2 -40.3 -40.2 97.3 17.0 81 82 A V H >< S+ 0 0 7 -4,-2.2 3,-1.2 1,-0.2 7,-0.3 0.969 115.3 41.6 -66.0 -55.0 -38.5 94.0 17.8 82 83 A I H 3< S+ 0 0 39 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.721 109.5 59.9 -68.7 -20.5 -35.3 95.3 19.3 83 84 A A H 3< S+ 0 0 84 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.611 120.2 24.4 -82.4 -11.8 -37.2 98.0 21.3 84 85 A D S+ 0 0 10 -3,-0.4 4,-2.0 1,-0.2 5,-0.1 0.695 79.9 61.3 -67.1 -18.9 -37.5 92.0 23.3 86 87 A G H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 106.3 44.3 -71.6 -46.8 -39.9 91.0 26.1 87 88 A A H > S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.880 112.7 53.2 -63.8 -37.9 -42.9 91.4 23.7 88 89 A F H X S+ 0 0 8 -4,-2.0 4,-0.8 -7,-0.3 -1,-0.2 0.934 110.2 46.6 -63.2 -46.3 -41.0 89.6 21.0 89 90 A A H >X S+ 0 0 7 -4,-2.0 4,-3.0 1,-0.2 3,-1.0 0.926 112.1 50.8 -61.5 -44.6 -40.3 86.6 23.2 90 91 A R H 3X S+ 0 0 127 -4,-2.4 4,-2.8 1,-0.3 -1,-0.2 0.804 97.1 67.4 -63.4 -31.7 -43.9 86.5 24.4 91 92 A R H 3< S+ 0 0 127 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.845 115.5 30.0 -56.9 -32.3 -45.2 86.6 20.8 92 93 A L H X< S+ 0 0 0 -3,-1.0 3,-1.2 -4,-0.8 -2,-0.2 0.878 122.4 46.0 -94.0 -48.4 -43.6 83.1 20.6 93 94 A T H 3< S+ 0 0 16 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.780 111.8 53.2 -69.4 -26.0 -43.8 81.8 24.2 94 95 A N T 3< S+ 0 0 79 -4,-2.8 2,-1.2 -5,-0.2 -1,-0.2 0.315 73.7 113.5 -91.9 7.7 -47.5 82.8 24.5 95 96 A D X> - 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