==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-AUG-06 2I5Q . COMPND 2 MOLECULE: L-RHAMNONATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.M.SAUDER,S.K.BURLEY,J.A.GERLT, . 765 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 8.1 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 35 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 6 0 2 2 1 1 4 4 0 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 4 2 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 PARALLEL BRIDGES PER LADDER . 6 2 2 0 0 0 2 2 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 2 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 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 L 0 0 229 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.0 43.9 34.9 8.7 2 2 A E - 0 0 160 1,-0.1 2,-0.3 3,-0.0 3,-0.1 -0.091 360.0 -89.7 -64.4 163.7 42.7 38.1 7.2 3 3 A N - 0 0 131 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.559 49.4-105.4 -77.0 135.5 40.0 40.3 8.8 4 4 A I - 0 0 151 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.290 39.1 -97.2 -63.2 142.8 36.5 39.5 7.8 5 5 A M - 0 0 107 1,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.404 42.0-122.2 -59.7 130.6 34.7 41.8 5.3 6 6 A T - 0 0 127 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.659 28.3-157.1 -80.2 129.8 32.6 44.2 7.4 7 7 A L - 0 0 53 -2,-0.4 2,-0.1 -3,-0.0 81,-0.0 -0.900 7.2-132.6-112.9 137.0 28.9 44.1 6.4 8 8 A P - 0 0 13 0, 0.0 79,-1.5 0, 0.0 2,-0.2 -0.297 20.7-113.6 -80.8 166.4 26.3 46.8 6.9 9 9 A K B -A 86 0A 98 77,-0.2 46,-2.9 78,-0.1 2,-0.4 -0.633 38.5-100.4 -93.6 156.7 22.8 46.4 8.3 10 10 A I E -B 54 0B 3 75,-3.0 74,-2.5 72,-0.3 44,-0.3 -0.670 31.9-164.1 -81.5 134.6 19.9 47.0 6.1 11 11 A K E - 0 0 131 42,-2.7 2,-0.3 -2,-0.4 43,-0.2 0.920 58.8 -23.6 -82.3 -51.6 18.5 50.5 6.7 12 12 A Q E -B 53 0B 50 41,-1.6 41,-3.2 71,-0.1 2,-0.4 -0.984 48.1-135.6-159.4 163.4 15.0 50.3 5.1 13 13 A V E -B 52 0B 0 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.994 22.1-172.8-127.9 132.1 12.9 48.6 2.5 14 14 A R E -B 51 0B 53 37,-2.7 37,-3.1 -2,-0.4 2,-0.4 -0.901 5.3-157.8-125.0 156.0 10.6 50.4 0.0 15 15 A A E +B 50 0B 0 366,-0.3 366,-0.4 -2,-0.3 2,-0.3 -0.996 10.5 175.2-138.8 140.3 8.1 49.2 -2.5 16 16 A W E -B 49 0B 36 33,-2.2 33,-2.5 -2,-0.4 2,-0.3 -0.798 14.3-147.3-130.6 172.2 6.5 50.6 -5.6 17 17 A F E -BC 48 378B 8 361,-1.3 361,-1.4 -2,-0.3 2,-0.4 -0.996 7.8-171.2-147.3 139.4 4.1 49.3 -8.3 18 18 A T E +B 47 0B 21 29,-1.5 29,-3.3 -2,-0.3 359,-0.1 -0.973 62.9 10.2-127.5 144.1 3.7 50.0 -12.0 19 19 A G S S+ 0 0 36 -2,-0.4 3,-0.3 357,-0.3 2,-0.1 -0.154 76.7 109.6 78.2-179.7 0.7 48.7 -14.0 20 20 A G S > S- 0 0 23 23,-0.4 3,-1.2 1,-0.2 25,-0.2 -0.305 86.1 -60.0 101.6 170.8 -2.3 47.2 -12.4 21 21 A A T 3 S+ 0 0 39 23,-2.1 -1,-0.2 1,-0.2 24,-0.1 0.466 133.3 47.9 -72.0 -2.4 -5.9 48.2 -12.0 22 22 A T T 3 0 0 44 -3,-0.3 -1,-0.2 22,-0.2 -2,-0.1 0.354 360.0 360.0-118.6 2.9 -4.9 51.3 -10.0 23 23 A A < 0 0 85 -3,-1.2 -3,-0.1 -5,-0.0 -5,-0.1 -0.697 360.0 360.0 -81.2 360.0 -2.1 52.7 -12.3 24 ! 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 25 44 A H 0 0 116 0, 0.0 2,-0.3 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 44.4 -7.3 32.9 -27.7 26 45 A I - 0 0 75 11,-0.2 2,-0.4 1,-0.1 145,-0.2 -0.558 360.0-115.2 -78.7 137.3 -5.4 31.1 -25.0 27 46 A A + 0 0 0 143,-2.1 181,-0.2 -2,-0.3 143,-0.2 -0.579 46.6 160.5 -75.8 128.4 -7.2 28.4 -23.0 28 47 A T > - 0 0 14 -2,-0.4 3,-1.4 180,-0.1 4,-0.3 -0.826 58.1 -91.1-137.3 174.9 -7.5 29.3 -19.3 29 48 A P T 3 S+ 0 0 13 0, 0.0 3,-0.4 0, 0.0 458,-0.1 0.764 128.6 51.9 -62.4 -21.5 -9.7 28.2 -16.4 30 49 A M T > S+ 0 0 0 456,-0.2 3,-2.3 1,-0.2 6,-0.3 0.583 80.1 95.5 -89.3 -11.4 -12.1 30.9 -17.4 31 50 A S T < S+ 0 0 4 -3,-1.4 6,-0.2 1,-0.3 -1,-0.2 0.775 70.3 71.6 -49.8 -30.9 -12.3 29.9 -21.1 32 51 A K T 3 S+ 0 0 103 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.3 0.738 82.9 79.2 -61.6 -21.8 -15.5 27.9 -20.3 33 52 A Y S X> S- 0 0 40 -3,-2.3 3,-3.2 1,-0.1 4,-1.0 -0.794 79.9-142.8 -91.2 113.6 -17.4 31.2 -20.0 34 53 A R T 34 S+ 0 0 213 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.1 0.556 99.6 58.2 -53.3 -5.7 -18.2 32.5 -23.4 35 54 A D T 34 S+ 0 0 111 -5,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.418 116.6 29.1-104.7 0.8 -17.6 36.0 -22.0 36 55 A Y T <4 0 0 36 -3,-3.2 4,-0.3 -6,-0.3 -2,-0.2 0.279 360.0 360.0-140.1 7.4 -14.0 35.4 -20.9 37 56 A E < 0 0 85 -4,-1.0 -11,-0.2 -6,-0.2 3,-0.1 0.424 360.0 360.0 -71.3 360.0 -12.7 32.7 -23.3 38 ! 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 39 61 A S 0 0 90 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -76.3 -11.3 40.0 -19.9 40 62 A F - 0 0 15 -4,-0.3 -4,-0.1 -3,-0.1 428,-0.0 0.200 360.0 -96.2 -85.4 17.6 -11.1 38.0 -16.7 41 63 A G > + 0 0 5 1,-0.1 3,-0.8 2,-0.1 4,-0.2 0.953 63.8 159.6 70.7 55.4 -8.6 40.4 -15.3 42 64 A I T 3 S+ 0 0 63 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.602 78.6 46.2 -81.5 -10.6 -5.2 38.7 -16.0 43 65 A N T 3 S+ 0 0 132 1,-0.1 -23,-0.4 2,-0.1 -1,-0.2 0.084 78.0 108.6-117.8 22.0 -3.4 42.1 -15.6 44 66 A V S < S+ 0 0 6 -3,-0.8 -23,-2.1 -24,-0.2 -22,-0.2 0.819 73.3 54.2 -70.1 -33.0 -5.1 43.4 -12.4 45 67 A L S S- 0 0 1 -25,-0.2 23,-0.6 -4,-0.2 24,-0.2 0.915 82.2-169.3 -71.3 -46.1 -2.1 43.0 -10.1 46 68 A G - 0 0 16 21,-0.2 20,-1.2 -26,-0.1 2,-0.4 -0.257 37.8 -43.1 80.7-174.9 0.6 44.9 -11.9 47 69 A T E -BD 18 65B 44 -29,-3.3 -29,-1.5 18,-0.2 2,-0.4 -0.769 44.7-153.1-100.8 135.2 4.3 44.8 -11.0 48 70 A L E -BD 17 64B 0 16,-2.9 16,-2.0 -2,-0.4 2,-0.5 -0.850 9.1-168.1-102.1 134.7 5.8 45.0 -7.5 49 71 A V E -BD 16 63B 0 -33,-2.5 -33,-2.2 -2,-0.4 2,-0.5 -0.989 2.4-167.2-125.4 122.7 9.3 46.5 -7.1 50 72 A V E -BD 15 62B 0 12,-2.1 12,-1.4 -2,-0.5 2,-0.5 -0.932 1.5-169.3-112.7 130.4 11.0 46.0 -3.7 51 73 A E E -BD 14 61B 6 -37,-3.1 -37,-2.7 -2,-0.5 2,-0.6 -0.975 4.8-162.3-123.2 125.6 14.2 48.0 -2.9 52 74 A V E -BD 13 60B 0 8,-3.3 8,-2.1 -2,-0.5 2,-0.5 -0.921 8.6-160.8-108.1 122.9 16.3 47.2 0.1 53 75 A E E -BD 12 59B 44 -41,-3.2 -42,-2.7 -2,-0.6 -41,-1.6 -0.895 6.1-146.9-107.1 131.8 18.7 49.9 1.2 54 76 A A E > -B 10 0B 0 4,-3.0 3,-1.7 -2,-0.5 -44,-0.3 -0.427 32.0-104.0 -87.9 166.9 21.7 49.2 3.4 55 77 A E T 3 S+ 0 0 115 -46,-2.9 -45,-0.1 1,-0.3 -1,-0.1 0.591 120.1 58.4 -67.4 -10.7 23.1 51.6 6.0 56 78 A N T 3 S- 0 0 79 -47,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.300 120.4-104.1-101.3 7.1 26.0 52.4 3.6 57 79 A G S < S+ 0 0 45 -3,-1.7 -2,-0.1 1,-0.3 2,-0.0 0.185 79.8 130.5 92.8 -19.9 23.8 53.6 0.8 58 80 A Q - 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0 0 11 -4,-0.7 155,-0.1 1,-0.2 -4,-0.1 0.723 55.0 -83.3 67.6 18.3 -2.3 30.5 1.5 107 129 A S T 3 S+ 0 0 20 -5,-0.2 154,-0.5 -9,-0.1 2,-0.3 0.795 106.7 9.9 54.8 33.9 1.1 28.9 0.7 108 130 A G S X> S+ 0 0 2 -3,-1.1 3,-0.5 384,-0.1 4,-0.5 -0.975 86.5 65.8 159.0-171.9 1.3 30.6 -2.6 109 131 A G H >> S- 0 0 7 -2,-0.3 4,-2.3 1,-0.2 3,-1.1 -0.181 104.3 -2.9 64.5-156.3 -0.2 33.2 -5.0 110 132 A L H 3> S+ 0 0 3 381,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.787 135.5 45.3 -34.1 -57.1 -0.1 37.0 -4.2 111 133 A V H <> S+ 0 0 3 -3,-0.5 4,-2.0 -6,-0.3 -1,-0.3 0.846 115.0 47.9 -64.6 -34.7 1.4 36.8 -0.8 112 134 A M H S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-2.0 0.913 113.2 47.5 -61.0 -42.0 25.8 40.3 -3.9 128 150 A K H <5S+ 0 0 38 -4,-2.3 -1,-0.2 237,-0.3 -2,-0.2 0.775 112.2 50.2 -70.6 -26.1 26.2 44.0 -4.7 129 151 A V H <5S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 116.8 40.0 -75.8 -44.0 27.6 44.6 -1.2 130 152 A V H <5S- 0 0 37 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.819 110.8-121.1 -72.8 -33.2 30.1 41.7 -1.5 131 153 A G T <5S+ 0 0 45 -4,-2.7 -3,-0.2 1,-0.3 -4,-0.1 0.667 71.7 114.2 97.8 21.2 30.9 42.5 -5.1 132 154 A L < - 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