==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-AUG-12 3VW5 . COMPND 2 MOLECULE: CELLOBIOSE 2-EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RUMINOCOCCUS ALBUS; . AUTHOR T.FUJIWARA,W.SABURI,I.TANAKA,M.YAO . 1167 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 75.9 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 . 153 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 15 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 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 . 56 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 552 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 3.3 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 3 0 0 0 0 3 0 3 0 0 6 8 13 0 0 3 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 . 24 26 6 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 . 9 18 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 1 A M > 0 0 137 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-169.8 -29.7 5.4 43.8 2 2 A M H > + 0 0 2 387,-2.2 4,-2.4 1,-0.2 5,-0.2 0.876 360.0 47.9 -56.7 -47.6 -26.7 4.0 41.8 3 3 A I H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 111.0 51.0 -63.6 -42.0 -24.2 6.9 42.3 4 4 A S H > S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 112.2 47.0 -63.0 -40.5 -24.8 7.2 46.0 5 5 A E H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.921 113.1 47.4 -66.8 -45.3 -24.2 3.5 46.5 6 6 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 108.5 54.5 -65.8 -40.5 -21.1 3.3 44.4 7 7 A R H X S+ 0 0 106 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.862 109.7 49.8 -59.8 -35.5 -19.6 6.4 46.1 8 8 A Q H X>S+ 0 0 113 -4,-1.4 4,-3.3 2,-0.2 5,-0.7 0.887 107.1 52.8 -69.0 -42.4 -20.2 4.6 49.4 9 9 A E H X>S+ 0 0 25 -4,-2.1 5,-2.8 2,-0.2 4,-1.0 0.901 113.7 45.0 -61.0 -41.1 -18.5 1.4 48.1 10 10 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 3,-0.2 -2,-0.2 0.971 122.2 34.4 -64.6 -54.4 -15.5 3.6 47.2 11 11 A T H <5S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.789 128.5 30.8 -77.8 -31.0 -15.3 5.6 50.4 12 12 A D H <5S+ 0 0 102 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.666 133.2 19.8-104.2 -18.5 -16.4 3.1 53.1 13 13 A H T X S+ 0 0 41 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.903 111.6 51.6 -54.5 -41.1 -10.3 1.8 53.9 17 17 A F H >< S+ 0 0 18 -4,-1.7 3,-0.7 2,-0.2 4,-0.3 0.964 113.8 41.0 -60.0 -54.1 -9.2 -1.7 52.6 18 18 A W H >< S+ 0 0 0 -4,-2.6 3,-2.9 1,-0.2 4,-0.3 0.925 105.8 64.6 -64.8 -40.5 -6.3 -0.5 50.5 19 19 A N H >< S+ 0 0 37 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.834 97.5 58.1 -46.8 -36.3 -5.2 2.0 53.2 20 20 A K T << S+ 0 0 164 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.578 95.6 64.8 -74.4 -9.1 -4.5 -1.0 55.4 21 21 A L T < S+ 0 0 9 -3,-2.9 9,-2.2 -4,-0.3 -1,-0.2 0.406 70.3 124.1 -96.9 1.7 -2.1 -2.4 52.9 22 22 A R B < -A 29 0A 49 -3,-1.3 2,-0.8 -4,-0.3 7,-0.3 -0.426 52.4-149.2 -59.5 129.6 0.4 0.5 53.1 23 23 A D > + 0 0 1 5,-3.1 4,-0.8 -2,-0.2 -1,-0.1 -0.858 27.3 165.4-105.9 96.5 3.9 -0.8 54.0 24 24 A D T 4 S+ 0 0 104 -2,-0.8 -1,-0.1 2,-0.2 4,-0.1 0.583 74.8 59.8 -84.3 -10.1 5.7 1.9 56.1 25 25 A E T 4 S+ 0 0 115 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.927 125.4 10.2 -82.8 -50.4 8.3 -0.7 57.1 26 26 A N T 4 S- 0 0 59 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.355 113.3-106.7-112.5 7.1 9.7 -1.7 53.7 27 27 A G S < S+ 0 0 22 -4,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.172 78.3 33.6 87.4 153.8 8.0 1.0 51.5 28 28 A G S S- 0 0 0 47,-0.5 -5,-3.1 -4,-0.1 2,-0.3 -0.308 100.4 -48.1 66.6-150.7 5.2 0.8 49.0 29 29 A F B -A 22 0A 0 -7,-0.3 -7,-0.2 -3,-0.1 21,-0.1 -0.890 61.4 -87.7-121.5 153.9 2.3 -1.6 49.7 30 30 A Y - 0 0 11 -9,-2.2 11,-0.1 -2,-0.3 3,-0.1 -0.250 34.0-142.6 -58.8 145.0 2.2 -5.3 50.6 31 31 A G S S+ 0 0 1 9,-0.4 2,-0.4 12,-0.3 15,-0.2 0.621 70.5 39.7 -91.3 -14.8 2.3 -7.6 47.5 32 32 A Y + 0 0 86 8,-0.4 8,-2.4 335,-0.1 2,-0.4 -0.948 40.3 169.5-150.2 122.4 -0.1 -10.4 48.3 33 33 A L B -BC 39 366B 11 333,-2.7 333,-2.4 -2,-0.4 332,-2.0 -0.950 33.9-139.2-124.9 109.9 -3.4 -11.0 50.1 34 34 A S > - 0 0 19 4,-2.5 3,-1.8 -2,-0.4 330,-0.1 -0.023 25.1-103.8 -61.3 166.0 -4.7 -14.5 49.5 35 35 A Y T 3 S+ 0 0 58 1,-0.3 -1,-0.1 326,-0.2 327,-0.1 0.904 125.4 55.4 -54.5 -45.4 -8.4 -15.5 48.8 36 36 A G T 3 S- 0 0 53 325,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.300 122.7-110.9 -72.9 9.5 -8.6 -16.7 52.4 37 37 A L < + 0 0 38 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.720 67.9 148.4 66.5 25.0 -7.5 -13.2 53.5 38 38 A E - 0 0 146 2,-0.0 -4,-2.5 0, 0.0 2,-0.4 -0.818 38.6-142.3 -87.4 124.1 -4.1 -14.3 54.7 39 39 A L B -B 33 0B 51 -2,-0.5 2,-0.7 -6,-0.2 -6,-0.2 -0.731 12.3-160.3 -94.6 132.1 -1.5 -11.5 54.1 40 40 A D > + 0 0 76 -8,-2.4 3,-2.3 -2,-0.4 -8,-0.4 -0.798 9.4 179.9-109.6 89.3 2.1 -12.1 53.1 41 41 A K T 3 S+ 0 0 102 -2,-0.7 -10,-0.2 1,-0.3 -1,-0.1 0.735 83.9 55.1 -59.1 -21.3 4.0 -8.9 54.0 42 42 A K T 3 S+ 0 0 134 -3,-0.1 56,-0.5 -12,-0.1 -1,-0.3 0.331 82.6 118.3 -96.6 5.7 7.1 -10.5 52.6 43 43 A A S < S- 0 0 15 -3,-2.3 -12,-0.3 -11,-0.2 -11,-0.1 -0.284 76.7 -87.7 -68.9 158.0 5.7 -11.3 49.2 44 44 A D - 0 0 78 53,-0.1 2,-0.6 -13,-0.1 53,-0.3 -0.386 39.1-132.5 -63.7 144.8 7.2 -9.8 46.0 45 45 A K E -D 96 0C 0 51,-1.1 51,-2.4 52,-0.1 2,-0.2 -0.899 15.5-143.9-108.4 111.7 5.8 -6.4 45.0 46 46 A G E > -D 95 0C 4 -2,-0.6 4,-1.6 49,-0.2 49,-0.2 -0.458 7.1-140.7 -75.9 143.5 4.8 -6.0 41.4 47 47 A V H > S+ 0 0 1 47,-1.8 4,-2.8 2,-0.2 5,-0.2 0.861 102.2 56.8 -78.5 -32.1 5.4 -2.7 39.7 48 48 A I H > S+ 0 0 6 46,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.880 106.8 53.1 -58.4 -36.1 2.1 -2.7 37.7 49 49 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 110.5 45.6 -63.8 -46.6 0.4 -3.1 41.1 50 50 A H H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.873 110.8 52.0 -68.3 -36.5 2.2 -0.1 42.5 51 51 A S H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.917 110.6 49.5 -64.7 -38.3 1.5 2.0 39.5 52 52 A R H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 111.5 47.7 -68.7 -38.2 -2.2 1.1 39.8 53 53 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.961 112.7 50.0 -62.3 -49.8 -2.2 2.0 43.4 54 54 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.937 112.6 46.9 -53.2 -49.7 -0.4 5.3 42.6 55 55 A W H X S+ 0 0 7 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.3 50.9 -57.0 -42.1 -3.0 6.0 39.9 56 56 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 112.9 40.8 -67.2 -48.7 -5.8 5.1 42.3 57 57 A Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.944 113.0 54.9 -67.2 -45.1 -4.8 7.3 45.2 58 58 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.923 115.6 39.8 -52.0 -43.9 -3.9 10.2 42.9 59 59 A N H X S+ 0 0 23 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.800 111.5 54.9 -79.0 -29.7 -7.3 10.0 41.4 60 60 A A H >X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.7 0.881 109.2 50.2 -67.8 -38.5 -9.2 9.3 44.6 61 61 A Y H 3X5S+ 0 0 63 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.940 109.1 50.1 -65.0 -44.8 -7.6 12.4 46.0 62 62 A M H 3<5S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.629 118.3 41.2 -67.5 -11.2 -8.6 14.5 43.0 63 63 A T H <<5S+ 0 0 39 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.826 133.1 12.8-105.0 -39.2 -12.2 13.2 43.3 64 64 A L H <5S- 0 0 49 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.615 91.8-140.5-113.4 -21.4 -13.0 13.3 47.0 65 65 A G << + 0 0 32 -4,-1.7 -1,-0.1 -5,-0.7 4,-0.1 -0.156 39.3 145.1 72.7 178.8 -10.1 15.3 48.5 66 66 A G >> - 0 0 41 2,-0.1 3,-2.1 3,-0.1 4,-1.0 0.520 50.5-128.6 114.1 99.1 -8.5 14.3 51.8 67 67 A D H 3> S+ 0 0 127 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.779 106.4 68.0 -40.8 -36.8 -4.8 14.7 52.5 68 68 A E H 3> S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.907 98.0 51.2 -53.6 -43.7 -4.7 11.1 53.5 69 69 A L H <> S+ 0 0 14 -3,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.918 111.3 46.1 -63.6 -44.1 -5.3 10.0 49.9 70 70 A L H X S+ 0 0 36 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.827 109.4 55.6 -66.9 -32.0 -2.5 12.2 48.6 71 71 A D H X S+ 0 0 77 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.909 109.8 45.9 -66.7 -40.9 -0.2 11.0 51.3 72 72 A N H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.903 111.1 52.5 -65.8 -44.4 -0.8 7.4 50.2 73 73 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 3,-0.3 0.975 110.3 48.9 -49.9 -55.3 -0.4 8.4 46.6 74 74 A K H X S+ 0 0 102 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.850 106.7 56.3 -58.2 -34.6 2.9 9.9 47.5 75 75 A H H X S+ 0 0 28 -4,-1.8 4,-1.4 2,-0.2 -47,-0.5 0.913 112.1 41.6 -62.6 -45.0 4.0 6.8 49.5 76 76 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 -3,-0.3 -2,-0.2 0.912 111.2 56.6 -67.7 -47.1 3.5 4.7 46.4 77 77 A Y H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.920 105.3 51.6 -47.3 -49.5 5.1 7.3 44.1 78 78 A E H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.919 107.2 53.3 -59.9 -41.2 8.3 7.2 46.2 79 79 A F H X>S+ 0 0 8 -4,-1.4 4,-1.2 2,-0.2 5,-0.8 0.917 112.9 43.8 -59.5 -42.6 8.4 3.4 45.9 80 80 A I H >X>S+ 0 0 1 -4,-2.2 4,-1.7 3,-0.2 5,-1.0 0.973 115.8 45.4 -68.3 -56.0 8.2 3.6 42.1 81 81 A K H 3<5S+ 0 0 22 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.900 119.3 41.3 -51.4 -47.1 10.7 6.5 41.6 82 82 A N H 3<5S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.622 135.6 6.9 -85.6 -13.3 13.3 5.1 44.0 83 83 A N H <<5S+ 0 0 58 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.2 0.631 119.1 57.3-132.6 -34.0 13.1 1.4 43.1 84 84 A C T < + 0 0 1 5,-2.6 4,-1.8 -2,-0.4 -2,-0.1 -0.803 23.1 176.2 -90.3 96.7 15.6 1.5 35.5 87 87 A Y T 4 S+ 0 0 88 -2,-1.1 -1,-0.2 2,-0.2 855,-0.1 0.823 75.3 52.8 -73.3 -29.5 17.5 4.8 35.1 88 88 A E T 4 S+ 0 0 71 -3,-0.2 854,-1.6 1,-0.1 -1,-0.2 0.942 128.4 13.2 -73.5 -51.5 20.4 3.2 33.4 89 89 A Y T 4 S- 0 0 54 1,-0.2 -2,-0.2 852,-0.2 -1,-0.1 0.686 110.3-117.4 -98.3 -20.7 18.6 1.3 30.6 90 90 A G < + 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.1 -0.333 68.0 58.1 104.0 168.4 15.2 3.0 30.8 91 91 A G S S- 0 0 0 46,-0.2 -5,-2.6 -2,-0.1 2,-0.3 -0.182 83.5 -71.6 69.4-164.3 11.7 1.8 31.6 92 92 A V B -F 85 0D 0 -7,-0.3 16,-0.5 16,-0.1 -7,-0.2 -0.940 42.5-110.8-129.2 152.3 10.5 0.1 34.8 93 93 A Y - 0 0 22 -9,-2.2 12,-0.2 -2,-0.3 3,-0.1 -0.117 19.2-128.6 -73.2 177.7 11.1 -3.4 36.1 94 94 A W S S+ 0 0 35 10,-2.4 -47,-1.8 1,-0.3 -46,-0.5 0.855 81.9 12.8 -94.3 -42.6 8.5 -6.1 36.3 95 95 A M E -DE 46 104C 22 9,-1.8 8,-3.1 -49,-0.2 9,-2.3 -0.997 56.3-167.3-145.7 130.9 8.8 -7.3 39.9 96 96 A M E -DE 45 102C 0 -51,-2.4 -51,-1.1 -2,-0.4 2,-0.1 -0.700 27.7-117.3-105.5 164.6 10.5 -6.1 43.1 97 97 A D > - 0 0 36 4,-2.3 3,-1.7 -53,-0.3 -53,-0.1 -0.399 46.5 -86.3 -86.1-180.0 11.0 -8.2 46.3 98 98 A F T 3 S+ 0 0 40 -56,-0.5 -55,-0.1 1,-0.3 -54,-0.1 0.731 131.5 52.2 -63.3 -19.8 9.4 -7.0 49.5 99 99 A E T 3 S- 0 0 91 -57,-0.1 -1,-0.3 2,-0.1 -55,-0.1 0.558 121.8-104.4 -91.3 -9.6 12.4 -4.8 50.1 100 100 A G S < S+ 0 0 3 -3,-1.7 -2,-0.1 1,-0.3 -56,-0.0 0.690 72.6 140.3 92.8 19.6 12.3 -3.1 46.7 101 101 A K - 0 0 113 1,-0.1 -4,-2.3 -17,-0.0 -1,-0.3 -0.765 66.1 -93.7 -88.2 143.1 15.2 -4.9 45.1 102 102 A P E +E 96 0C 69 0, 0.0 -6,-0.3 0, 0.0 3,-0.2 -0.408 48.2 168.6 -60.3 118.2 14.7 -5.9 41.5 103 103 A A E S+ 0 0 57 -8,-3.1 2,-0.3 1,-0.3 -7,-0.2 0.722 76.0 19.2-102.1 -33.0 13.3 -9.5 41.4 104 104 A D E -E 95 0C 67 -9,-2.3 -10,-2.4 2,-0.1 -9,-1.8 -0.922 63.1-175.0-138.8 116.1 12.4 -9.6 37.7 105 105 A T + 0 0 50 -2,-0.3 -1,-0.0 -12,-0.2 -9,-0.0 0.275 35.7 135.3 -99.3 9.0 14.0 -7.0 35.4 106 106 A M - 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