==== 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 2PYG . 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 . 750 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 83.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 369 49.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 94 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 3.5 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 9 35 11 9 3 0 0 2 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 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 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 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 D 0 0 140 0, 0.0 2,-0.4 0, 0.0 35,-0.2 0.000 360.0 360.0 360.0 130.7 31.8 -28.2 26.0 2 3 A Y E -a 36 0A 60 33,-2.3 35,-2.8 5,-0.0 2,-0.6 -0.999 360.0-142.2-140.7 134.8 28.4 -26.6 26.6 3 4 A N E > -a 37 0A 45 -2,-0.4 3,-3.0 33,-0.2 4,-0.4 -0.870 20.2-139.7 -94.4 117.7 25.5 -25.6 24.3 4 5 A V G > >S+ 0 0 0 33,-2.3 3,-2.1 -2,-0.6 5,-1.9 0.797 100.7 66.1 -49.2 -31.5 24.1 -22.4 25.6 5 6 A K G > 5S+ 0 0 94 32,-0.3 3,-1.2 1,-0.3 -1,-0.3 0.762 90.3 63.3 -65.0 -22.2 20.6 -23.6 24.8 6 7 A D G < 5S+ 0 0 134 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.599 104.6 49.7 -74.7 -9.3 21.1 -26.3 27.5 7 8 A F G < 5S- 0 0 70 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.230 134.3 -86.4-111.5 12.4 21.3 -23.3 29.8 8 9 A G T < 5S+ 0 0 44 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.478 74.2 150.8 100.6 2.5 18.2 -21.6 28.6 9 10 A A < - 0 0 2 -5,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.540 19.6-178.0 -71.2 128.8 19.5 -19.6 25.7 10 11 A L - 0 0 96 -2,-0.3 -1,-0.2 5,-0.0 32,-0.1 0.854 14.0-158.3 -94.5 -41.8 16.8 -19.1 23.1 11 12 A G + 0 0 12 4,-0.2 31,-0.7 33,-0.1 32,-0.2 0.920 42.5 140.5 61.6 43.9 18.6 -17.2 20.4 12 13 A D E S-b 42 0A 73 29,-0.2 31,-0.2 3,-0.1 -1,-0.1 0.182 72.9-109.7-103.8 15.1 15.2 -15.9 19.1 13 14 A G E S+ 0 0 18 29,-2.7 30,-0.1 2,-0.2 3,-0.1 0.703 109.6 52.0 65.6 19.4 16.4 -12.4 18.3 14 15 A V E S+ 0 0 116 28,-0.3 -1,-0.1 1,-0.2 29,-0.1 0.441 81.7 84.7-146.3 -51.3 14.3 -11.1 21.2 15 16 A S E S- 0 0 36 1,-0.1 2,-1.2 2,-0.1 29,-0.8 -0.317 79.7-115.3 -66.2 145.7 14.9 -12.9 24.5 16 17 A D E +b 44 0A 69 1,-0.2 3,-0.3 27,-0.1 4,-0.3 -0.701 35.1 177.5 -83.9 98.8 17.8 -11.7 26.7 17 18 A D > + 0 0 3 27,-2.5 4,-3.0 -2,-1.2 5,-0.3 0.368 46.8 108.1 -85.3 7.5 20.1 -14.7 26.7 18 19 A R H > S+ 0 0 68 26,-0.3 4,-3.3 1,-0.2 5,-0.3 0.937 79.5 43.7 -48.4 -63.5 22.8 -13.1 28.8 19 20 A A H > S+ 0 0 66 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.905 115.3 50.2 -51.0 -47.7 22.3 -15.0 32.0 20 21 A S H > S+ 0 0 21 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.961 113.8 43.3 -56.2 -56.1 22.0 -18.3 30.1 21 22 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.914 114.2 51.2 -58.5 -42.8 25.2 -17.8 28.1 22 23 A Q H X S+ 0 0 31 -4,-3.3 4,-2.5 -5,-0.3 -1,-0.2 0.861 107.2 54.2 -63.8 -34.6 27.0 -16.5 31.2 23 24 A A H X S+ 0 0 40 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.913 108.2 48.9 -64.5 -42.8 25.8 -19.7 33.0 24 25 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.883 111.1 50.5 -64.0 -38.0 27.3 -21.9 30.3 25 26 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.925 110.0 50.0 -65.5 -43.4 30.6 -19.9 30.5 26 27 A D H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.849 109.2 52.0 -64.9 -34.3 30.7 -20.3 34.2 27 28 A A H X S+ 0 0 31 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.943 110.6 47.2 -66.1 -48.0 30.1 -24.1 33.9 28 29 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 -2,-0.2 0.932 111.8 51.9 -58.0 -45.9 33.0 -24.4 31.4 29 30 A Y H ><5S+ 0 0 107 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.944 109.6 48.0 -55.7 -52.0 35.2 -22.3 33.7 30 31 A A H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.841 104.6 60.5 -58.0 -35.0 34.4 -24.6 36.7 31 32 A A T 3<5S- 0 0 61 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.353 127.6-102.4 -76.2 8.4 35.1 -27.6 34.5 32 33 A G T < 5S- 0 0 68 -3,-2.0 -3,-0.2 -5,-0.1 -2,-0.2 0.623 82.2 -34.5 81.4 13.2 38.6 -26.2 34.2 33 34 A G S > S- 0 0 138 -2,-0.2 3,-2.4 1,-0.1 4,-0.5 -0.364 87.7 -97.6 -77.6 164.9 28.6 -1.6 35.2 51 52 A P G >4 S+ 0 0 41 0, 0.0 3,-1.8 0, 0.0 34,-1.6 0.900 124.9 57.5 -49.3 -44.8 30.6 -0.7 32.1 52 53 A G G 34 S+ 0 0 30 1,-0.3 40,-0.4 32,-0.1 32,-0.1 0.577 97.4 63.0 -65.2 -9.6 33.4 -2.9 33.2 53 54 A D G <4 S- 0 0 66 -3,-2.4 -1,-0.3 1,-0.2 36,-0.1 0.584 82.3-175.4 -90.7 -11.9 31.1 -5.9 33.4 54 55 A G << - 0 0 0 -3,-1.8 -6,-3.4 -4,-0.5 -5,-0.5 -0.164 46.0 -73.1 52.8-144.1 30.3 -5.8 29.7 55 56 A C S S+ 0 0 1 31,-1.1 2,-0.4 1,-0.4 33,-0.2 0.725 115.3 23.7-112.3 -50.9 27.7 -8.3 28.5 56 57 A L E -e 88 0A 0 31,-2.7 33,-2.4 30,-0.3 2,-0.8 -0.982 69.3-150.5-123.7 129.3 29.5 -11.7 28.7 57 58 A M E -e 89 0A 32 -2,-0.4 33,-0.2 31,-0.2 31,-0.1 -0.834 11.9-158.8-104.2 99.6 32.5 -12.3 30.9 58 59 A L - 0 0 1 31,-2.7 33,-0.5 -2,-0.8 2,-0.3 -0.332 13.2-169.2 -71.5 159.8 34.9 -14.9 29.6 59 60 A K > - 0 0 62 31,-0.1 3,-2.4 1,-0.1 37,-0.0 -0.888 36.8 -43.4-144.4 171.6 37.3 -16.6 32.0 60 61 A D T 3 S+ 0 0 64 -2,-0.3 38,-0.2 1,-0.3 39,-0.1 -0.002 122.2 2.0 -42.5 134.3 40.3 -18.9 32.0 61 62 A G T 3 S+ 0 0 10 36,-1.7 -27,-2.1 37,-1.1 2,-0.4 0.413 99.7 125.1 70.0 -1.0 40.1 -21.8 29.6 62 63 A V E < -c 34 0A 0 -3,-2.4 38,-1.4 -29,-0.3 2,-0.4 -0.789 34.2-178.6-100.7 134.2 36.8 -20.8 28.1 63 64 A Y E -cf 35 100A 52 -29,-2.1 -27,-3.7 -2,-0.4 2,-0.4 -0.965 19.3-138.1-126.9 143.6 36.1 -20.2 24.4 64 65 A L E -cf 36 101A 0 36,-2.1 38,-1.8 -2,-0.4 2,-0.4 -0.803 21.8-175.8 -98.0 141.6 33.0 -19.1 22.6 65 66 A A E -cf 37 102A 1 -29,-2.7 -27,-2.5 -2,-0.4 38,-0.2 -0.984 2.1-175.2-142.0 127.1 32.1 -20.8 19.3 66 67 A G E -c 38 0A 5 36,-2.0 38,-0.2 -2,-0.4 3,-0.1 -0.407 44.9 -96.0-107.5-172.2 29.2 -20.0 17.0 67 68 A A S S- 0 0 42 -29,-0.6 37,-0.2 1,-0.4 2,-0.1 0.283 89.5 -64.7 -88.6 11.4 27.9 -21.6 13.8 68 69 A G S >> S- 0 0 12 35,-2.9 4,-2.3 34,-0.2 3,-1.7 -0.296 73.4 -49.3 121.4 153.3 30.0 -19.1 11.8 69 70 A M B 34 S+g 72 0A 63 1,-0.3 36,-0.1 35,-0.2 4,-0.1 -0.258 129.0 9.7 -54.6 137.3 30.1 -15.3 11.2 70 71 A G T 34 S+ 0 0 40 2,-0.5 -1,-0.3 71,-0.1 3,-0.1 0.167 120.3 75.1 77.5 -23.9 26.6 -14.0 10.3 71 72 A E T <4 S+ 0 0 116 -3,-1.7 -30,-2.7 1,-0.3 2,-0.5 0.898 101.2 36.0 -83.8 -48.7 25.2 -17.4 11.3 72 73 A T E < S-dg 41 69A 0 -4,-2.3 33,-1.9 -32,-0.3 -2,-0.5 -0.932 79.5-177.9-105.0 124.1 25.5 -16.9 15.0 73 74 A V E -dh 42 105A 10 -32,-2.9 -30,-3.5 -2,-0.5 2,-0.7 -0.972 18.4-164.6-130.7 121.1 24.9 -13.3 16.1 74 75 A I E -dh 43 106A 0 31,-3.5 33,-3.1 -2,-0.4 2,-0.4 -0.915 24.8-179.5-101.5 117.3 25.1 -11.8 19.6 75 76 A K E -dh 44 107A 34 -32,-2.2 -30,-1.7 -2,-0.7 33,-0.2 -0.958 30.0-113.0-127.1 138.7 23.4 -8.5 19.5 76 77 A L E -d 45 0A 0 31,-2.1 -30,-0.2 -2,-0.4 36,-0.1 -0.364 44.5-103.1 -64.7 138.3 22.8 -5.8 22.1 77 78 A I > - 0 0 49 -32,-2.3 3,-1.6 1,-0.1 -1,-0.1 -0.304 39.0-100.2 -64.0 145.8 19.1 -5.3 23.1 78 79 A D T 3 S+ 0 0 89 1,-0.2 35,-0.2 -3,-0.1 -1,-0.1 -0.324 107.9 30.4 -62.1 146.6 17.2 -2.4 21.6 79 80 A G T 3 S+ 0 0 56 33,-3.0 -1,-0.2 1,-0.3 34,-0.2 0.270 77.3 147.8 89.1 -14.5 16.9 0.5 24.1 80 81 A S < + 0 0 11 -3,-1.6 34,-2.4 32,-0.2 -1,-0.3 -0.336 18.8 175.9 -53.9 132.7 20.2 -0.2 25.9 81 82 A D B +a 114 0B 116 32,-0.2 2,-0.3 -3,-0.1 34,-0.2 -0.253 37.8 86.2-141.9 53.7 21.5 3.1 27.0 82 83 A Q S S- 0 0 75 32,-0.7 2,-0.3 33,-0.1 32,-0.1 -0.977 81.4 -85.7-147.5 159.8 24.7 2.7 29.1 83 84 A K - 0 0 102 -2,-0.3 2,-0.5 32,-0.1 34,-0.2 -0.506 39.6-172.2 -68.7 127.2 28.4 2.3 28.5 84 85 A I E - i 0 117A 0 32,-2.2 34,-2.4 -2,-0.3 2,-2.1 -0.917 11.8-157.8-125.5 103.0 29.4 -1.3 27.9 85 86 A T E S- i 0 118A 21 -34,-1.6 36,-0.1 -2,-0.5 32,-0.1 -0.484 77.3 -10.9 -83.1 74.9 33.1 -1.9 27.8 86 87 A G E - 0 0 0 -2,-2.1 -31,-1.1 32,-0.6 -30,-0.3 0.686 54.0-143.6 102.7 100.0 33.2 -5.1 25.7 87 88 A M E S+ 0 0 1 31,-1.9 -31,-2.7 32,-0.5 2,-0.4 0.849 106.6 27.6 -57.4 -30.6 30.0 -7.1 24.9 88 89 A V E S+ei 56 120A 0 31,-1.7 33,-1.8 30,-0.2 2,-0.3 -0.999 94.4 136.3-129.4 126.3 32.5 -10.0 25.4 89 90 A R E -ei 57 121A 6 -33,-2.4 -31,-2.7 -2,-0.4 2,-0.3 -0.929 47.1-106.8-157.9 179.9 35.4 -9.4 27.7 90 91 A S - 0 0 0 31,-0.8 2,-0.2 -2,-0.3 -31,-0.1 -0.806 52.6 -82.2-115.3 159.7 37.7 -10.5 30.5 91 92 A A > - 0 0 14 -33,-0.5 3,-1.5 -2,-0.3 5,-0.2 -0.376 39.1-120.1 -70.3 131.7 37.7 -9.2 34.1 92 93 A Y T 3 S+ 0 0 144 -40,-0.4 33,-0.2 1,-0.3 32,-0.1 -0.337 99.3 19.6 -60.4 148.7 39.5 -6.0 34.9 93 94 A G T 3 S+ 0 0 28 31,-2.6 2,-0.4 1,-0.1 -1,-0.3 0.607 105.4 100.7 65.2 10.6 42.2 -6.5 37.5 94 95 A E S < S- 0 0 120 -3,-1.5 2,-1.3 29,-0.4 29,-0.2 -0.994 72.9-131.3-127.4 134.9 42.5 -10.3 36.8 95 96 A E - 0 0 86 -2,-0.4 2,-0.3 -3,-0.1 37,-0.2 -0.714 33.6-167.0 -84.9 95.6 45.1 -11.9 34.7 96 97 A T - 0 0 3 -2,-1.3 37,-2.0 27,-0.2 2,-0.3 -0.650 6.0-171.0 -87.3 141.1 42.9 -14.1 32.5 97 98 A S E + j 0 133A 40 -2,-0.3 -36,-1.7 35,-0.2 37,-0.2 -0.936 48.2 15.2-134.6 153.6 44.6 -16.8 30.3 98 99 A N E S+ 0 0 72 35,-2.0 -37,-1.1 -2,-0.3 2,-0.3 0.961 86.7 115.5 54.2 70.2 43.8 -19.2 27.6 99 100 A F E + j 0 135A 0 35,-1.3 37,-1.9 34,-0.2 2,-0.3 -0.928 21.3 122.9-155.0 173.9 40.5 -17.9 26.2 100 101 A G E -fj 63 136A 0 -38,-1.4 -36,-2.1 -2,-0.3 2,-0.3 -0.993 39.2-102.0 160.4-161.5 38.8 -16.4 23.1 101 102 A M E -fj 64 137A 1 35,-1.2 37,-2.0 -2,-0.3 2,-0.3 -0.993 23.6-175.6-157.9 158.1 36.0 -16.8 20.6 102 103 A R E +fj 65 138A 97 -38,-1.8 -36,-2.0 -2,-0.3 -34,-0.2 -0.991 53.2 20.4-156.2 161.2 35.4 -17.9 17.0 103 104 A D E S+ 0 0 27 35,-1.6 -35,-2.9 36,-0.4 2,-0.3 0.869 93.4 89.6 46.4 57.3 32.9 -18.2 14.1 104 105 A L E - 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