==== 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 11-MAY-06 2GZ6 . COMPND 2 MOLECULE: N-ACETYL-D-GLUCOSAMINE 2-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; . AUTHOR W.C.WANG,H.M.WU,Y.N.CHANG . 743 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 . 38 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 49.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.3 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 2 0 0 0 3 0 2 1 2 9 7 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 13 13 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 . 8 4 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 3 A K 0 0 130 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.1 70.7 67.5 17.8 2 4 A N > + 0 0 106 1,-0.1 4,-1.3 3,-0.1 3,-0.1 0.846 360.0 178.1 -5.1 85.4 72.9 69.6 15.6 3 5 A L H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 370,-0.2 0.827 75.9 60.7 -54.9 -39.2 72.8 72.8 17.6 4 6 A Q H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 101.3 50.9 -65.4 -42.6 75.1 74.5 15.1 5 7 A A H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.862 111.6 50.5 -56.8 -35.6 72.7 74.1 12.2 6 8 A L H X S+ 0 0 22 -4,-1.3 4,-1.9 2,-0.2 5,-0.2 0.865 108.6 49.7 -72.7 -38.7 70.0 75.6 14.4 7 9 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 362,-0.2 5,-0.2 0.941 113.7 47.7 -61.3 -44.2 72.2 78.6 15.4 8 10 A Q H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.905 107.9 55.8 -63.8 -41.1 72.9 79.1 11.7 9 11 A L H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 113.9 38.5 -56.2 -49.7 69.2 78.8 10.9 10 12 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.879 115.1 52.5 -73.6 -41.6 68.2 81.6 13.2 11 13 A K H X S+ 0 0 15 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.953 114.6 43.8 -53.8 -52.5 71.2 83.8 12.5 12 14 A N H X S+ 0 0 74 -4,-2.9 4,-2.8 -5,-0.2 5,-0.5 0.906 111.4 52.9 -60.9 -46.3 70.4 83.5 8.8 13 15 A A H X>S+ 0 0 10 -4,-2.3 5,-3.1 -5,-0.2 4,-1.0 0.907 114.5 42.5 -55.9 -48.4 66.6 84.1 9.2 14 16 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 3,-0.2 -2,-0.2 0.954 123.6 33.5 -61.7 -53.1 67.2 87.3 11.2 15 17 A L H <5S+ 0 0 36 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.833 130.3 29.8 -82.7 -36.5 70.0 88.9 9.1 16 18 A N H <5S+ 0 0 110 -4,-2.8 -3,-0.2 -5,-0.3 -1,-0.2 0.502 133.8 19.8-100.9 -9.9 69.0 87.7 5.6 17 19 A D T X5S+ 0 0 41 -4,-1.0 4,-1.5 -5,-0.5 -3,-0.2 0.680 122.3 36.2-121.6 -61.2 65.3 87.4 5.9 18 20 A V H > S+ 0 0 35 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.881 105.2 58.6 -55.9 -35.4 65.8 93.0 5.1 21 23 A F H X S+ 0 0 5 -4,-1.5 4,-2.0 1,-0.2 5,-0.3 0.958 111.5 39.1 -58.2 -51.1 62.0 92.6 5.0 22 24 A W H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 5,-0.3 0.873 118.0 49.1 -68.1 -38.5 61.5 95.6 7.3 23 25 A E H < S+ 0 0 62 -4,-2.8 4,-0.4 -5,-0.2 -2,-0.2 0.919 116.3 43.8 -64.4 -41.2 64.3 97.5 5.6 24 26 A N H < S+ 0 0 117 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.775 129.3 18.9 -74.6 -29.9 62.8 96.8 2.2 25 27 A H H < S+ 0 0 64 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.660 115.3 52.8-117.9 -21.1 59.1 97.4 2.9 26 28 A S < + 0 0 0 -4,-1.7 8,-2.7 -5,-0.3 2,-0.5 0.534 68.8 112.1-104.6 -6.7 58.4 99.5 6.0 27 29 A L B -A 33 0A 75 -4,-0.4 2,-0.7 -5,-0.3 6,-0.2 -0.576 50.6-155.1 -81.0 117.8 60.4 102.7 5.7 28 30 A D > - 0 0 10 4,-2.1 3,-3.2 -2,-0.5 -2,-0.1 -0.869 11.1-149.5 -93.6 114.2 58.2 105.8 5.2 29 31 A S T 3 S+ 0 0 119 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.740 101.6 60.3 -47.5 -28.5 60.1 108.7 3.4 30 32 A E T 3 S- 0 0 103 1,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.567 127.2 -86.1 -76.9 -9.5 57.8 110.9 5.5 31 33 A G S < S+ 0 0 10 -3,-3.2 -1,-0.2 1,-0.3 49,-0.2 -0.074 89.6 35.8 113.8 146.8 59.2 109.4 8.7 32 34 A G S S- 0 0 3 47,-1.0 -4,-2.1 44,-0.1 -1,-0.3 -0.372 86.6 -70.4 70.8-155.8 58.5 106.4 10.9 33 35 A Y B -A 27 0A 3 -6,-0.2 2,-0.6 47,-0.1 -6,-0.2 -0.941 22.1-121.7-141.9 151.0 57.4 103.1 9.4 34 36 A F + 0 0 24 -8,-2.7 12,-0.1 -2,-0.3 14,-0.1 -0.862 28.5 171.1 -91.9 118.0 54.5 101.3 7.7 35 37 A T + 0 0 0 -2,-0.6 2,-1.8 12,-0.5 -1,-0.1 0.636 58.0 89.1 -97.2 -20.2 53.6 98.2 9.8 36 38 A C E +B 45 0B 4 9,-0.6 8,-2.7 11,-0.3 9,-0.9 -0.557 59.6 153.0 -84.0 86.2 50.5 97.5 7.7 37 39 A L E -B 43 0B 0 -2,-1.8 311,-2.9 6,-0.2 312,-2.0 -0.946 35.5-139.4-120.1 131.4 52.1 95.2 5.2 38 40 A D B > -C 347 0C 37 4,-2.7 3,-1.9 -2,-0.4 309,-0.3 -0.015 49.2 -73.3 -75.6-173.6 50.4 92.4 3.2 39 41 A R T 3 S+ 0 0 61 307,-0.9 308,-0.1 1,-0.3 -1,-0.1 0.827 136.5 41.9 -51.9 -36.8 52.0 89.0 2.5 40 42 A Q T 3 S- 0 0 78 2,-0.1 -1,-0.3 -15,-0.0 307,-0.1 0.353 122.2-102.3 -94.8 0.7 54.4 90.5 -0.1 41 43 A G S < S+ 0 0 4 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.554 71.1 148.6 87.8 11.2 55.2 93.6 2.0 42 44 A K - 0 0 150 1,-0.1 -4,-2.7 2,-0.0 -1,-0.3 -0.590 53.0-110.4 -77.2 141.0 52.9 95.9 0.1 43 45 A V E +B 37 0B 49 -2,-0.2 -6,-0.2 -6,-0.2 3,-0.1 -0.537 38.7 170.2 -74.1 129.7 51.4 98.7 2.2 44 46 A Y E S+ 0 0 118 -8,-2.7 2,-0.3 1,-0.4 -7,-0.1 0.478 72.9 20.7-114.0 -9.7 47.6 98.5 2.9 45 47 A D E -B 36 0B 64 -9,-0.9 -9,-0.6 2,-0.1 -1,-0.4 -0.920 57.3-157.0-158.1 134.7 47.4 101.2 5.5 46 48 A T + 0 0 54 -2,-0.3 -13,-0.0 -3,-0.1 -1,-0.0 0.405 50.2 128.2 -92.2 -0.7 49.7 104.1 6.3 47 49 A D - 0 0 43 53,-0.1 2,-0.8 1,-0.1 -12,-0.5 -0.184 57.2-129.7 -59.8 153.1 48.6 104.7 10.0 48 50 A K E -D 99 0D 0 51,-3.5 51,-1.8 -14,-0.1 2,-0.9 -0.857 14.1-160.4-114.9 97.0 51.4 104.9 12.5 49 51 A F E >> -D 98 0D 15 -2,-0.8 4,-1.9 49,-0.2 3,-0.9 -0.720 10.7-152.3 -83.7 107.5 50.8 102.7 15.5 50 52 A I H 3> S+ 0 0 0 47,-1.8 4,-2.9 -2,-0.9 5,-0.3 0.766 88.7 57.6 -58.0 -37.6 53.1 104.2 18.1 51 53 A W H 3> S+ 0 0 43 46,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.933 115.4 39.2 -58.0 -45.2 53.7 101.0 20.2 52 54 A L H <> S+ 0 0 13 -3,-0.9 4,-1.8 299,-0.2 303,-0.3 0.758 111.9 56.1 -73.4 -33.2 55.0 99.3 17.0 53 55 A Q H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.2 0.968 112.8 43.4 -61.4 -51.3 56.8 102.5 15.8 54 56 A N H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.879 110.2 55.0 -62.4 -40.5 58.7 102.5 19.1 55 57 A R H X S+ 0 0 33 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.878 107.5 50.8 -63.1 -32.2 59.4 98.7 19.1 56 58 A Q H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 5,-0.3 0.879 109.6 48.2 -72.9 -38.7 61.0 99.1 15.6 57 59 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.951 114.8 49.6 -57.7 -49.3 63.3 101.9 16.8 58 60 A W H X S+ 0 0 12 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.902 108.5 51.0 -52.6 -51.3 64.0 99.6 19.8 59 61 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 296,-0.3 -2,-0.2 0.950 115.3 40.0 -59.6 -51.7 64.8 96.5 17.6 60 62 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.864 118.9 48.0 -65.1 -35.3 67.3 98.2 15.3 61 63 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.921 110.5 50.9 -71.3 -46.7 68.8 100.2 18.2 62 64 A M H X S+ 0 0 6 -4,-3.5 4,-2.7 2,-0.2 5,-0.3 0.896 110.2 50.7 -55.1 -42.4 69.1 97.0 20.4 63 65 A L H X>S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 5,-1.4 0.899 107.8 52.4 -66.9 -41.1 70.8 95.2 17.5 64 66 A C H <5S+ 0 0 5 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.899 116.7 40.8 -53.0 -41.6 73.3 98.2 17.2 65 67 A N H <5S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.803 125.9 32.7 -80.5 -32.2 74.0 97.8 20.9 66 68 A Q H <5S+ 0 0 96 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.782 132.3 16.3 -94.8 -36.2 74.1 94.0 21.1 67 69 A L T <5S- 0 0 42 -4,-3.0 2,-0.3 -5,-0.3 -3,-0.2 0.861 120.2 -33.4-103.9 -69.5 75.5 92.9 17.7 68 70 A E < - 0 0 70 -5,-1.4 2,-1.9 2,-0.1 -1,-0.3 -0.956 51.1-115.1-165.2 133.7 77.2 95.5 15.6 69 71 A K - 0 0 127 -2,-0.3 2,-0.3 -4,-0.1 -5,-0.1 -0.559 46.0-173.4 -80.9 82.4 76.7 99.2 15.1 70 72 A R > - 0 0 79 -2,-1.9 4,-2.6 1,-0.1 5,-0.2 -0.588 28.3-134.7 -86.0 142.0 75.7 99.1 11.5 71 73 A E H > S+ 0 0 129 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.874 104.5 49.1 -59.8 -45.1 75.2 102.2 9.5 72 74 A N H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 113.2 46.8 -64.5 -41.7 71.9 101.1 7.9 73 75 A W H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 112.0 50.1 -65.2 -47.1 70.3 100.0 11.2 74 76 A L H X S+ 0 0 50 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.909 112.3 49.0 -52.4 -47.4 71.4 103.2 12.9 75 77 A K H X S+ 0 0 138 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.897 109.6 50.7 -60.7 -42.3 69.8 105.1 10.1 76 78 A I H X S+ 0 0 7 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.925 113.8 45.2 -62.1 -44.0 66.6 103.1 10.2 77 79 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-0.3 0.906 111.4 52.9 -67.0 -45.6 66.3 103.8 14.0 78 80 A R H X S+ 0 0 82 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.921 106.6 50.4 -54.4 -53.3 67.1 107.5 13.7 79 81 A N H X S+ 0 0 63 -4,-2.2 4,-1.0 1,-0.2 -47,-1.0 0.770 115.1 44.8 -65.1 -23.0 64.5 108.3 11.1 80 82 A G H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.3 -2,-0.2 0.890 112.7 51.0 -80.0 -43.2 61.9 106.6 13.2 81 83 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.910 109.2 50.6 -62.3 -41.4 63.1 108.2 16.4 82 84 A K H X S+ 0 0 85 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.928 111.3 48.1 -61.5 -47.8 63.0 111.7 14.8 83 85 A F H X S+ 0 0 9 -4,-1.0 4,-2.1 -5,-0.2 5,-0.3 0.913 114.1 46.4 -59.0 -45.8 59.4 111.3 13.6 84 86 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.859 109.6 52.7 -67.0 -39.0 58.2 110.0 16.9 85 87 A A H < S+ 0 0 18 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.893 115.3 42.9 -65.7 -39.1 60.0 112.8 18.9 86 88 A Q H < S+ 0 0 149 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.880 134.2 14.3 -71.0 -36.7 58.3 115.4 16.7 87 89 A H H < S+ 0 0 42 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.638 102.6 81.6-117.6 -18.6 54.8 113.8 16.6 88 90 A G S < S+ 0 0 0 -4,-2.8 8,-2.9 -5,-0.3 2,-0.3 0.568 81.0 68.7 -75.6 -12.6 54.3 111.1 19.3 89 91 A R B -F 95 0E 74 -5,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.848 67.5-136.8-115.2 145.0 53.5 113.2 22.4 90 92 A D > - 0 0 10 4,-2.9 3,-2.1 -2,-0.3 -1,-0.0 -0.205 47.9 -83.5 -81.6-178.1 50.5 115.4 23.4 91 93 A D T 3 S+ 0 0 159 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.691 131.1 54.2 -65.9 -21.4 50.9 118.8 25.0 92 94 A E T 3 S- 0 0 146 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.377 121.7-107.6 -86.4 5.3 51.4 117.3 28.5 93 95 A G S < S+ 0 0 6 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.596 73.4 142.4 72.5 13.5 54.2 115.2 27.1 94 96 A N - 0 0 15 1,-0.1 -4,-2.9 50,-0.0 -1,-0.3 -0.700 53.7-112.3 -85.7 139.4 52.1 112.0 27.2 95 97 A W B -F 89 0E 2 -2,-0.3 16,-0.5 -6,-0.2 -6,-0.2 -0.502 26.0-132.4 -78.2 137.1 52.6 109.5 24.4 96 98 A Y - 0 0 41 -8,-2.9 3,-0.1 -2,-0.2 -1,-0.1 -0.282 4.8-138.7 -73.0 163.4 49.8 108.8 21.8 97 99 A F S S+ 0 0 26 9,-0.4 -47,-1.8 1,-0.3 -46,-0.5 0.801 81.2 7.5 -91.1 -39.6 48.6 105.3 20.6 98 100 A A E -D 49 0D 1 8,-0.5 8,-2.7 -49,-0.2 -1,-0.3 -0.999 55.8-174.3-147.8 149.0 48.2 106.2 16.9 99 101 A L E -DE 48 105D 0 -51,-1.8 -51,-3.5 -2,-0.3 2,-0.1 -0.884 33.4-105.4-128.2 160.3 48.9 108.9 14.4 100 102 A T > - 0 0 46 4,-2.2 3,-2.1 -2,-0.3 -53,-0.1 -0.333 53.4 -87.2 -69.4 167.0 48.1 109.3 10.7 101 103 A R T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 -54,-0.1 0.856 130.3 48.4 -42.8 -46.3 50.9 108.8 8.2 102 104 A G T 3 S- 0 0 34 1,-0.1 -1,-0.3 2,-0.0 -55,-0.1 0.437 125.1 -97.5 -86.4 -0.3 52.0 112.5 8.5 103 105 A G S < S+ 0 0 3 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.535 70.8 145.9 103.2 9.7 51.9 112.5 12.3 104 106 A E - 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