==== 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 ISOMERASE 16-MAY-07 2PYH . COMPND 2 MOLECULE: POLY(BETA-D-MANNURONATE) C5 EPIMERASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR H.J.ROZEBOOM,T.M.BJERKAN,K.H.KALK,H.ERTESVAG,S.HOLTAN,F.L.AA . 753 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25427.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 654 86.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 364 48.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 1 0.1 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 . 114 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 10 33 11 9 2 0 0 3 1 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 1 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 M 0 0 143 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 168.2 32.6 -30.2 30.4 2 2 A D - 0 0 93 33,-0.2 2,-0.3 35,-0.1 35,-0.2 -0.642 360.0-177.4-100.8 159.1 30.4 -28.8 27.7 3 3 A Y E -a 37 0A 57 33,-1.0 35,-2.2 -2,-0.2 2,-0.5 -0.910 27.7-118.5-147.0 171.3 26.7 -27.8 27.9 4 4 A N E > -a 38 0A 44 -2,-0.3 3,-1.8 33,-0.2 4,-0.2 -0.984 20.8-141.0-116.5 126.7 23.7 -26.5 25.9 5 5 A V G > >S+ 0 0 0 33,-2.9 3,-3.0 -2,-0.5 5,-1.5 0.853 101.6 61.7 -56.1 -38.9 22.4 -23.2 27.0 6 6 A K G > 5S+ 0 0 96 1,-0.3 3,-1.2 3,-0.2 -1,-0.3 0.734 94.2 66.2 -62.6 -16.9 18.8 -24.2 26.4 7 7 A D G < 5S+ 0 0 130 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.566 101.4 49.5 -77.0 -8.7 19.5 -26.8 29.1 8 8 A F G < 5S- 0 0 64 -3,-3.0 -1,-0.3 -4,-0.2 -2,-0.2 0.079 134.9 -84.5-115.7 21.9 19.9 -23.9 31.5 9 9 A G T < 5S+ 0 0 42 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.134 79.2 146.0 100.8 -22.0 16.6 -22.1 30.6 10 10 A A < + 0 0 2 -5,-1.5 -1,-0.3 1,-0.2 -2,-0.1 -0.323 21.2 179.5 -55.9 119.6 17.9 -20.2 27.5 11 11 A L - 0 0 88 -2,-0.2 -1,-0.2 5,-0.1 -5,-0.1 0.919 17.2-154.5 -88.6 -54.0 15.0 -20.0 25.0 12 12 A G + 0 0 11 4,-0.3 31,-1.0 33,-0.1 32,-0.2 0.871 43.7 139.8 76.4 40.0 16.5 -18.0 22.1 13 13 A D E S-b 43 0A 78 29,-0.2 31,-0.2 3,-0.2 -1,-0.1 0.159 74.4-107.5-100.6 15.3 13.1 -16.7 20.9 14 14 A G E S+ 0 0 14 29,-3.0 30,-0.1 2,-0.2 3,-0.1 0.546 109.7 51.3 71.9 6.8 14.3 -13.2 20.1 15 15 A V E S+ 0 0 113 28,-0.3 -1,-0.1 1,-0.1 29,-0.1 0.550 78.3 88.0-134.4 -60.0 12.4 -11.8 23.2 16 16 A S E S- 0 0 42 1,-0.1 2,-1.2 2,-0.1 29,-0.8 -0.246 81.1-114.8 -55.6 129.2 13.1 -13.6 26.5 17 17 A D E -b 45 0A 70 1,-0.2 4,-0.3 27,-0.1 3,-0.3 -0.518 36.1-179.4 -66.4 97.4 16.1 -12.3 28.4 18 18 A D > + 0 0 2 27,-2.5 4,-2.1 -2,-1.2 5,-0.2 0.087 46.2 109.4 -89.3 24.9 18.4 -15.3 28.2 19 19 A R H > S+ 0 0 66 26,-0.3 4,-3.0 2,-0.2 5,-0.3 0.993 78.0 39.4 -64.6 -67.1 21.2 -13.7 30.2 20 20 A A H > S+ 0 0 64 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.875 116.9 54.1 -51.4 -41.5 21.1 -15.6 33.6 21 21 A S H > S+ 0 0 24 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.974 113.0 40.5 -56.1 -58.9 20.4 -18.8 31.7 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.903 114.4 52.9 -56.3 -46.8 23.5 -18.5 29.4 23 23 A Q H X S+ 0 0 24 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.840 104.5 57.8 -60.8 -34.9 25.7 -17.2 32.3 24 24 A A H X S+ 0 0 32 -4,-2.1 4,-3.3 -5,-0.3 -1,-0.2 0.982 105.0 48.9 -58.8 -57.5 24.7 -20.3 34.3 25 25 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.3 5,-0.2 0.872 110.5 52.4 -49.8 -41.9 26.0 -22.6 31.6 26 26 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.3 0.935 110.6 47.1 -61.8 -44.4 29.2 -20.5 31.5 27 27 A D H X S+ 0 0 62 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.941 110.4 52.8 -62.0 -45.9 29.5 -21.0 35.3 28 28 A A H X S+ 0 0 24 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.965 111.7 45.0 -51.6 -56.4 28.8 -24.7 35.0 29 29 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.3 0.869 111.7 53.7 -56.4 -38.4 31.6 -25.0 32.4 30 30 A Y H ><5S+ 0 0 105 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.918 110.0 47.3 -62.3 -42.9 33.8 -22.9 34.7 31 31 A A H 3<5S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.940 105.0 58.2 -61.2 -51.3 33.1 -25.2 37.6 32 32 A A T 3<5S- 0 0 54 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.529 124.7-103.4 -58.8 -6.8 33.8 -28.4 35.5 33 33 A G T < 5S- 0 0 67 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.579 83.7 -21.3 92.9 11.7 37.3 -26.9 34.9 34 34 A G < + 0 0 11 -5,-2.7 29,-0.2 -6,-0.2 -2,-0.2 -0.934 69.7 145.3 147.6-169.8 36.6 -25.7 31.4 35 35 A G E - c 0 63A 18 27,-1.3 29,-2.2 -2,-0.3 2,-0.7 -0.531 46.6 -80.4 129.0 166.2 34.3 -26.3 28.4 36 36 A T E - c 0 64A 41 27,-0.2 -33,-1.0 -2,-0.2 2,-0.5 -0.890 32.6-153.1-112.0 100.4 32.4 -25.1 25.4 37 37 A V E -ac 3 65A 0 27,-2.7 29,-2.2 -2,-0.7 2,-0.3 -0.622 21.8-155.6 -74.3 122.1 29.0 -23.5 26.2 38 38 A Y E -ac 4 66A 84 -35,-2.2 -33,-2.9 -2,-0.5 -32,-0.2 -0.714 18.1-170.2-104.3 152.4 26.8 -24.0 23.2 39 39 A L E - c 0 67A 0 27,-1.6 29,-0.5 -2,-0.3 3,-0.1 -0.967 21.1-136.1-139.0 116.8 23.8 -22.0 21.9 40 40 A P - 0 0 27 0, 0.0 28,-0.2 0, 0.0 29,-0.1 -0.064 46.8 -65.0 -63.2 176.2 21.8 -23.5 19.0 41 41 A A S S+ 0 0 44 26,-0.1 32,-0.3 32,-0.1 2,-0.2 -0.121 91.5 78.3 -57.6 162.2 20.6 -21.2 16.1 42 42 A G E S- d 0 73A 30 30,-2.4 32,-2.3 -3,-0.1 2,-0.6 -0.640 82.9 -66.2 124.5 177.0 18.1 -18.5 17.0 43 43 A E E -bd 13 74A 64 -31,-1.0 -29,-3.0 -2,-0.2 2,-0.7 -0.908 38.7-165.2-112.1 113.9 18.1 -15.0 18.6 44 44 A Y E - d 0 75A 0 30,-2.6 32,-1.8 -2,-0.6 2,-0.3 -0.846 9.4-151.6-100.2 116.0 19.0 -14.7 22.3 45 45 A R E -bd 17 76A 17 -29,-0.8 -27,-2.5 -2,-0.7 2,-0.4 -0.651 14.6-169.3 -84.9 139.1 18.2 -11.3 23.9 46 46 A V E - d 0 77A 0 30,-1.5 32,-1.5 -2,-0.3 2,-0.2 -0.987 11.0-152.9-133.9 140.8 20.3 -10.1 26.8 47 47 A S - 0 0 25 -2,-0.4 30,-0.0 30,-0.2 2,-0.0 -0.624 44.8 -77.8-101.5 164.4 20.0 -7.3 29.4 48 48 A A - 0 0 19 -2,-0.2 8,-0.2 1,-0.1 -1,-0.1 -0.343 36.0-135.0 -62.1 142.6 22.8 -5.6 31.2 49 49 A A - 0 0 27 6,-2.8 2,-0.5 2,-0.2 -1,-0.1 -0.101 62.5 -73.8 -92.4 36.5 24.2 -7.7 34.0 50 50 A G S S+ 0 0 35 2,-0.0 -2,-0.1 3,-0.0 5,-0.0 -0.941 101.8 18.6 119.6-118.0 24.4 -4.8 36.4 51 51 A E S > S- 0 0 134 -2,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.325 85.6 -95.7 -86.4 172.2 27.0 -2.1 36.1 52 52 A P G > S+ 0 0 38 0, 0.0 3,-1.4 0, 0.0 34,-0.9 0.896 122.3 54.8 -54.8 -45.1 29.1 -1.2 33.0 53 53 A G G 3 S+ 0 0 36 1,-0.3 40,-0.3 32,-0.1 32,-0.1 0.493 100.9 61.9 -71.2 -0.8 32.1 -3.3 34.1 54 54 A D G < S- 0 0 72 -3,-1.6 -1,-0.3 1,-0.2 36,-0.2 0.579 84.0-171.9 -99.1 -13.1 29.9 -6.4 34.5 55 55 A G < - 0 0 0 -3,-1.4 -6,-2.8 -4,-0.5 33,-0.3 -0.191 40.5 -76.3 57.0-147.9 28.9 -6.5 30.8 56 56 A C S S+ 0 0 1 31,-1.3 2,-0.4 1,-0.5 33,-0.2 0.718 111.0 20.1-109.5 -71.6 26.2 -9.0 29.9 57 57 A L E S-e 89 0A 0 31,-2.0 33,-2.3 30,-0.1 -1,-0.5 -0.865 74.8-151.7-104.5 136.8 27.6 -12.5 29.9 58 58 A M E -e 90 0A 27 -2,-0.4 2,-0.3 31,-0.2 33,-0.2 -0.868 3.5-155.2-111.4 141.9 30.9 -13.1 31.7 59 59 A L E -e 91 0A 0 31,-2.9 33,-0.7 -2,-0.4 2,-0.3 -0.874 8.3-168.9-114.0 149.0 33.5 -15.7 30.9 60 60 A K > - 0 0 37 -2,-0.3 3,-1.5 1,-0.2 37,-0.1 -0.853 46.6 -48.0-128.8 167.3 36.0 -17.3 33.4 61 61 A D T 3 S+ 0 0 55 -2,-0.3 38,-0.2 1,-0.2 -1,-0.2 0.075 123.1 12.9 -36.0 133.9 39.0 -19.5 32.9 62 62 A G T 3 S+ 0 0 13 36,-1.9 -27,-1.3 37,-0.9 2,-0.4 0.560 95.6 123.8 74.2 11.0 38.5 -22.5 30.5 63 63 A V E < +c 35 0A 0 -3,-1.5 38,-1.4 36,-0.4 2,-0.3 -0.879 32.5 179.1-113.3 139.6 35.2 -21.4 29.0 64 64 A Y E -cf 36 101A 64 -29,-2.2 -27,-2.7 -2,-0.4 2,-0.4 -0.959 19.5-139.3-131.7 148.4 34.2 -20.8 25.4 65 65 A L E +cf 37 102A 1 36,-2.3 38,-1.7 -2,-0.3 2,-0.3 -0.893 23.8 177.8-107.5 139.4 31.0 -19.8 23.6 66 66 A A E +cf 38 103A 1 -29,-2.2 -27,-1.6 -2,-0.4 2,-0.2 -0.995 1.2 179.8-141.0 144.5 30.0 -21.5 20.4 67 67 A G E -c 39 0A 4 36,-1.6 -26,-0.1 -2,-0.3 38,-0.1 -0.627 49.9 -79.9-131.0-169.1 26.9 -21.1 18.2 68 68 A A S S- 0 0 37 -29,-0.5 37,-0.2 1,-0.3 36,-0.1 0.272 91.2 -82.1 -78.9 13.3 25.3 -22.4 15.0 69 69 A G >> - 0 0 12 35,-2.6 4,-2.1 34,-0.3 3,-1.9 -0.184 68.4 -41.0 104.2 159.7 27.6 -20.1 13.1 70 70 A M T 34 S+ 0 0 67 70,-0.3 4,-0.1 1,-0.3 36,-0.1 -0.170 130.6 16.3 -53.3 149.7 27.6 -16.3 12.2 71 71 A G T 34 S+ 0 0 45 2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.287 121.0 70.5 68.2 -16.1 24.2 -15.1 11.2 72 72 A E T <4 S+ 0 0 111 -3,-1.9 -30,-2.4 1,-0.3 2,-0.5 0.876 98.9 38.6 -94.0 -55.6 22.7 -18.2 12.8 73 73 A T E < S-d 42 0A 0 -4,-2.1 33,-2.4 -32,-0.3 2,-0.4 -0.883 75.9-177.8 -98.5 125.4 23.2 -17.7 16.5 74 74 A V E -dg 43 106A 10 -32,-2.3 -30,-2.6 -2,-0.5 2,-0.8 -0.968 19.0-163.0-132.5 119.3 22.6 -14.0 17.4 75 75 A I E +dg 44 107A 0 31,-3.1 33,-3.1 -2,-0.4 2,-0.4 -0.877 23.7 179.9-100.4 108.9 23.0 -12.5 20.9 76 76 A K E -dg 45 108A 30 -32,-1.8 -30,-1.5 -2,-0.8 33,-0.2 -0.936 29.6-118.2-117.9 130.6 21.2 -9.2 20.8 77 77 A L E -d 46 0A 0 31,-1.9 2,-0.3 -2,-0.4 -30,-0.2 -0.201 48.2 -91.7 -55.9 153.3 20.8 -6.6 23.5 78 78 A I > - 0 0 41 -32,-1.5 3,-2.7 1,-0.1 -1,-0.1 -0.561 42.6-101.4 -78.1 130.4 17.1 -6.1 24.5 79 79 A D T 3 S+ 0 0 85 -2,-0.3 35,-0.2 1,-0.3 -1,-0.1 -0.261 113.0 33.9 -48.4 117.4 15.2 -3.3 22.7 80 80 A G T 3 S+ 0 0 48 33,-1.9 -1,-0.3 1,-0.3 34,-0.1 0.207 77.3 148.5 118.9 -16.3 15.2 -0.5 25.2 81 81 A S < + 0 0 7 -3,-2.7 34,-2.0 29,-0.1 -1,-0.3 -0.130 18.2 178.0 -48.9 148.2 18.6 -1.0 26.9 82 82 A D B +v 115 0B 109 32,-0.2 2,-0.3 2,-0.1 34,-0.3 -0.260 35.2 83.0-157.4 61.9 20.1 2.2 28.2 83 83 A Q S S- 0 0 70 32,-0.8 2,-0.1 33,-0.1 32,-0.0 -0.974 80.8 -85.1-162.8 149.3 23.4 2.0 30.0 84 84 A K - 0 0 107 -2,-0.3 2,-0.5 32,-0.1 34,-0.2 -0.360 42.7-172.6 -55.6 124.7 27.1 1.8 29.4 85 85 A I B -w 118 0C 1 32,-2.0 2,-3.4 -32,-0.1 34,-2.1 -0.841 12.8-158.4-125.2 92.2 27.9 -1.9 28.9 86 86 A T S S- 0 0 22 -34,-0.9 32,-0.1 -2,-0.5 34,-0.1 -0.214 78.1 -3.4 -67.7 56.0 31.6 -2.4 28.7 87 87 A G - 0 0 0 -2,-3.4 -31,-1.3 32,-0.4 33,-0.2 0.433 50.8-150.2 123.5 100.3 31.3 -5.7 26.9 88 88 A M S S+ 0 0 1 31,-2.2 -31,-2.0 32,-0.5 2,-0.4 0.744 106.3 23.4 -63.6 -21.1 28.2 -7.7 26.0 89 89 A V E S+eh 57 121A 0 31,-1.3 33,-1.8 30,-0.2 2,-0.3 -0.962 95.5 146.1-142.4 120.3 30.5 -10.7 26.4 90 90 A R E -eh 58 122A 7 -33,-2.3 -31,-2.9 -2,-0.4 2,-0.3 -0.917 44.7-113.8-151.4 177.4 33.6 -10.2 28.6 91 91 A S E -e 59 0A 0 31,-1.0 -31,-0.1 -2,-0.3 -2,-0.0 -0.839 52.1 -86.2-113.1 153.6 36.1 -11.4 31.2 92 92 A A > - 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