==== 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 HYDROLASE 13-OCT-98 2EUG . COMPND 2 MOLECULE: PROTEIN (GLYCOSYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.XIAO,M.TORDOVA,J.JAGADEESH,A.C.DROHAT,J.T.STIVERS,G.L.GILL . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.2 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 . 1 0.4 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 . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 3 1 0 0 0 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 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 . 0 1 1 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 5 A L 0 0 120 0, 0.0 49,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 124.1 20.2 24.5 33.3 2 6 A T > - 0 0 49 47,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.613 360.0-102.1-118.4 173.5 17.0 22.9 31.8 3 7 A W H > S+ 0 0 11 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.938 122.3 52.6 -58.2 -45.5 15.6 21.8 28.5 4 8 A H H > S+ 0 0 107 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 105.0 54.6 -61.4 -42.3 13.5 24.9 28.4 5 9 A D H 4 S+ 0 0 95 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.956 118.3 33.8 -46.3 -56.5 16.5 27.1 29.0 6 10 A V H < S+ 0 0 22 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.746 125.2 42.0 -84.2 -18.9 18.4 25.7 26.0 7 11 A L H X S+ 0 0 4 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.541 82.2 96.7-104.5 -3.3 15.4 25.0 23.8 8 12 A A T < S+ 0 0 32 -4,-1.9 4,-0.3 -3,-0.3 -1,-0.1 0.891 89.9 43.5 -53.2 -45.8 13.3 28.2 24.3 9 13 A E T >4 S+ 0 0 149 -4,-0.3 3,-1.4 1,-0.2 -1,-0.2 0.915 112.6 51.8 -70.8 -38.0 14.6 30.0 21.2 10 14 A E G >4 S+ 0 0 14 -4,-0.3 3,-2.1 1,-0.3 6,-0.3 0.944 104.9 58.8 -58.8 -39.7 14.3 26.8 19.0 11 15 A K G 3< S+ 0 0 55 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.548 100.5 55.6 -71.7 -2.8 10.7 26.5 20.2 12 16 A Q G < S+ 0 0 135 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.314 83.9 114.1-107.0 9.4 9.9 29.9 18.8 13 17 A Q S X> S- 0 0 71 -3,-2.1 4,-2.7 -4,-0.2 3,-1.0 -0.621 73.7-127.2 -82.6 137.5 11.1 28.9 15.3 14 18 A P H 3> S+ 0 0 95 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.869 109.1 56.5 -44.3 -46.9 8.6 28.7 12.5 15 19 A H H 3> S+ 0 0 64 1,-0.2 4,-1.0 2,-0.2 121,-0.2 0.878 114.0 40.5 -57.6 -38.3 9.7 25.2 11.6 16 20 A F H <> S+ 0 0 8 -3,-1.0 4,-2.0 -6,-0.3 3,-0.4 0.974 117.7 43.7 -73.7 -57.7 9.0 24.0 15.1 17 21 A L H X S+ 0 0 71 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.863 114.9 51.9 -57.0 -32.5 5.7 25.9 15.8 18 22 A N H X S+ 0 0 81 -4,-2.7 4,-2.3 -5,-0.4 -1,-0.2 0.837 103.0 57.8 -75.7 -29.9 4.5 24.9 12.3 19 23 A T H X S+ 0 0 5 -4,-1.0 4,-2.3 -3,-0.4 -1,-0.2 0.970 109.1 46.5 -59.8 -48.6 5.3 21.3 13.0 20 24 A L H X S+ 0 0 61 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.885 110.2 52.1 -64.0 -37.5 2.9 21.5 16.0 21 25 A Q H X S+ 0 0 119 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.899 107.7 52.1 -68.4 -34.7 0.2 23.3 14.0 22 26 A T H X S+ 0 0 40 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.917 111.7 47.4 -65.1 -40.1 0.3 20.6 11.4 23 27 A V H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.952 110.1 50.6 -64.2 -46.1 -0.1 18.0 14.1 24 28 A A H < S+ 0 0 54 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.854 112.6 48.6 -59.9 -37.1 -3.0 19.8 15.8 25 29 A S H >< S+ 0 0 77 -4,-2.1 3,-1.8 -5,-0.2 4,-0.3 0.957 109.8 51.2 -62.3 -51.6 -4.6 20.1 12.3 26 30 A E H ><>S+ 0 0 25 -4,-2.6 3,-1.7 1,-0.3 5,-0.9 0.851 101.2 61.8 -55.2 -42.2 -4.1 16.4 11.6 27 31 A R T 3<5S+ 0 0 55 -4,-2.7 -1,-0.3 1,-0.3 3,-0.2 0.705 111.9 38.5 -60.2 -18.9 -5.6 15.4 14.9 28 32 A Q T < 5S+ 0 0 165 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.352 96.3 84.2-108.4 2.2 -8.9 17.0 13.8 29 33 A S T < 5S- 0 0 77 -3,-1.7 -2,-0.1 -4,-0.3 -1,-0.1 0.381 115.4 -84.8 -91.7 0.9 -8.8 15.9 10.1 30 34 A G T 5S+ 0 0 82 1,-0.4 2,-0.3 -4,-0.3 -3,-0.1 0.268 101.3 100.9 110.1 -11.1 -10.3 12.4 10.4 31 35 A V < - 0 0 53 -5,-0.9 2,-0.5 94,-0.0 -1,-0.4 -0.815 68.4-127.6-110.3 145.9 -7.0 10.7 11.2 32 36 A T - 0 0 80 -2,-0.3 94,-3.2 94,-0.1 2,-0.4 -0.815 22.2-155.4 -94.8 139.6 -5.6 9.6 14.6 33 37 A I E -A 125 0A 6 -2,-0.5 92,-0.2 92,-0.2 4,-0.1 -0.911 19.2-111.9-110.8 135.9 -2.2 10.8 15.6 34 38 A Y E S+A 124 0A 41 90,-3.1 90,-2.0 -2,-0.4 35,-0.1 -0.873 83.9 27.6-115.9 146.7 0.1 9.0 18.1 35 39 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.731 95.0-102.6 -78.7 178.5 1.1 9.7 20.8 36 40 A P >> - 0 0 47 0, 0.0 3,-2.4 0, 0.0 4,-0.7 -0.251 37.4-107.2 -55.8 150.5 -1.5 11.9 22.4 37 41 A Q G >4 S+ 0 0 145 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.813 118.4 57.5 -54.4 -33.7 -0.5 15.6 22.5 38 42 A K G 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.645 109.6 46.6 -73.1 -13.1 0.2 15.6 26.2 39 43 A D G X4 S+ 0 0 13 -3,-2.4 3,-2.2 1,-0.1 4,-0.2 0.544 81.1 95.8-102.3 -9.8 2.7 12.8 25.7 40 44 A V T << S+ 0 0 6 -4,-0.7 3,-0.3 -3,-0.7 -2,-0.1 0.826 95.1 35.4 -55.4 -36.2 4.7 14.0 22.7 41 45 A F T >> S+ 0 0 57 -4,-0.3 4,-1.6 1,-0.2 3,-1.3 0.124 78.7 120.9-106.5 19.1 7.5 15.5 24.8 42 46 A N H <> + 0 0 9 -3,-2.2 4,-2.3 1,-0.3 5,-0.3 0.777 66.6 65.4 -59.1 -26.5 7.5 12.9 27.6 43 47 A A H 3> S+ 0 0 3 27,-0.8 4,-1.2 -3,-0.3 -1,-0.3 0.916 107.0 43.6 -61.2 -35.8 11.2 12.0 27.0 44 48 A F H <4 S+ 0 0 19 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.834 110.9 55.5 -73.7 -38.3 12.0 15.6 28.1 45 49 A R H < S+ 0 0 161 -4,-1.6 3,-0.2 1,-0.2 -2,-0.2 0.896 113.5 38.2 -60.6 -45.6 9.6 15.4 31.0 46 50 A F H < S+ 0 0 31 -4,-2.3 2,-0.4 1,-0.2 68,-0.2 0.667 121.9 40.8 -87.7 -20.1 11.1 12.3 32.6 47 51 A T S < S- 0 0 0 -4,-1.2 -1,-0.2 -5,-0.3 5,-0.1 -0.781 77.1-154.1-135.6 101.2 14.7 13.0 31.9 48 52 A E >> - 0 0 68 -2,-0.4 3,-1.9 -3,-0.2 4,-0.8 -0.185 32.5-104.3 -64.7 156.7 15.9 16.6 32.4 49 53 A L G >4 S+ 0 0 3 1,-0.3 3,-1.1 2,-0.2 -47,-0.1 0.884 123.2 46.6 -46.6 -49.7 18.8 17.9 30.6 50 54 A G G 34 S+ 0 0 46 -49,-0.5 -1,-0.3 1,-0.2 -48,-0.1 0.548 110.2 57.0 -75.7 -6.9 21.1 17.7 33.6 51 55 A D G <4 S+ 0 0 102 -3,-1.9 2,-0.4 64,-0.0 -1,-0.2 0.479 75.0 121.2-100.3 -6.2 19.8 14.2 34.3 52 56 A V << + 0 0 0 -3,-1.1 63,-0.2 -4,-0.8 3,-0.1 -0.398 18.0 150.4 -67.9 118.6 20.7 12.6 31.0 53 57 A K + 0 0 35 61,-3.8 103,-2.5 -2,-0.4 2,-0.4 0.771 68.7 24.3-109.2 -40.8 23.1 9.7 31.3 54 58 A V E -cd 115 156B 0 60,-2.0 62,-3.8 101,-0.2 2,-0.5 -0.993 63.0-157.5-128.9 133.7 22.2 7.5 28.3 55 59 A V E -cd 116 157B 0 101,-2.9 103,-3.4 -2,-0.4 2,-0.5 -0.964 8.4-175.9-109.3 122.6 20.7 8.5 25.0 56 60 A I E -cd 117 158B 0 60,-2.8 62,-1.2 -2,-0.5 2,-0.4 -0.982 16.6-151.4-115.6 117.2 18.9 5.8 23.1 57 61 A L E +c 118 0B 2 101,-1.4 103,-0.4 -2,-0.5 62,-0.3 -0.721 16.4 179.2 -88.8 135.2 17.7 7.2 19.7 58 62 A G E -c 119 0B 5 60,-2.3 62,-1.9 -2,-0.4 14,-0.1 -0.658 18.7-146.3-115.7-175.8 14.6 5.8 18.0 59 63 A Q S S+ 0 0 61 1,-0.4 62,-2.7 60,-0.3 -1,-0.2 0.762 70.8 18.1-111.6 -69.0 13.2 7.0 14.7 60 64 A D S S- 0 0 29 60,-0.2 -1,-0.4 59,-0.1 62,-0.1 -0.820 76.0-114.8-105.5 143.3 9.4 6.8 14.6 61 65 A P - 0 0 5 0, 0.0 69,-0.2 0, 0.0 -27,-0.1 -0.418 47.2 -88.5 -68.3 148.5 6.8 6.4 17.4 62 66 A Y - 0 0 42 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.294 39.1-149.9 -49.9 142.1 4.8 3.1 17.5 63 67 A H + 0 0 71 4,-0.1 64,-2.4 -3,-0.1 65,-0.2 0.318 58.4 91.8-113.3 15.4 1.7 3.7 15.4 64 68 A G S >> S- 0 0 13 62,-0.2 3,-1.8 1,-0.1 4,-0.5 -0.647 86.4 -77.4-101.7 162.5 -0.9 1.5 16.9 65 69 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.283 112.2 4.6 -60.8 131.9 -3.5 2.3 19.6 66 70 A G T 34 S+ 0 0 29 2,-0.1 10,-0.9 13,-0.1 13,-0.1 0.369 108.0 95.4 82.5 -2.4 -2.2 2.3 23.1 67 71 A Q T <4 + 0 0 50 -3,-1.8 9,-0.7 8,-0.2 -4,-0.1 0.984 66.2 58.7 -86.6 -74.6 1.4 1.8 22.2 68 72 A A < + 0 0 8 -4,-0.5 -2,-0.1 -6,-0.4 7,-0.1 -0.252 43.8 159.7 -64.7 137.3 3.3 5.2 21.9 69 73 A H S S- 0 0 2 2,-0.3 -1,-0.1 5,-0.3 3,-0.1 0.079 71.5 -78.9-147.0 32.7 3.4 7.4 24.9 70 74 A G S S+ 0 0 13 1,-0.2 -27,-0.8 4,-0.1 2,-0.4 0.478 100.4 99.8 89.4 6.3 6.4 9.6 24.2 71 75 A L S > S- 0 0 5 3,-0.2 3,-1.3 -29,-0.1 -2,-0.3 -0.994 79.3-106.8-123.7 125.6 9.4 7.4 25.0 72 76 A A T 3 S- 0 0 0 45,-2.4 3,-0.1 -2,-0.4 46,-0.1 -0.222 97.3 -3.2 -52.6 136.7 11.3 5.6 22.3 73 77 A F T 3 S+ 0 0 17 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.180 104.9 117.4 70.2 -13.3 10.7 1.8 22.2 74 78 A S < - 0 0 0 -3,-1.3 -5,-0.3 43,-0.1 2,-0.3 -0.500 43.9-163.0 -86.4 152.8 8.4 1.8 25.2 75 79 A V - 0 0 0 30,-2.8 -8,-0.2 -2,-0.2 -7,-0.1 -0.921 29.3 -93.7-127.3 164.6 4.7 0.9 25.4 76 80 A R > - 0 0 67 -10,-0.9 3,-1.8 -9,-0.7 29,-0.3 -0.232 55.0 -79.8 -72.8 162.3 2.0 1.5 28.0 77 81 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.295 118.9 27.8 -54.5 137.5 1.2 -1.0 30.8 78 82 A G T 3 S+ 0 0 81 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.261 96.1 117.4 91.3 -11.9 -1.0 -3.8 29.6 79 83 A I S < S- 0 0 52 -3,-1.8 26,-0.4 -13,-0.1 -1,-0.3 -0.674 74.0-102.6 -94.0 144.3 0.3 -3.5 26.0 80 84 A A - 0 0 82 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 -0.320 40.0-105.8 -62.9 143.6 2.2 -6.3 24.3 81 85 A I - 0 0 28 1,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.564 41.0-127.1 -69.5 115.3 5.9 -5.8 24.1 82 86 A P >> - 0 0 9 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.248 23.2-103.4 -67.6 155.0 6.6 -4.9 20.5 83 87 A P H 3> S+ 0 0 75 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.802 119.5 55.1 -47.2 -40.5 9.2 -7.0 18.6 84 88 A S H 3> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.919 112.4 43.8 -61.2 -42.3 12.0 -4.3 18.7 85 89 A L H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.896 109.1 56.9 -68.7 -39.5 11.6 -4.2 22.6 86 90 A L H X S+ 0 0 47 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.934 108.2 47.8 -53.9 -48.1 11.5 -8.0 22.8 87 91 A N H X S+ 0 0 7 -4,-2.2 4,-2.0 97,-0.2 -1,-0.2 0.876 110.0 52.4 -66.5 -35.3 14.9 -8.1 20.9 88 92 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.916 110.0 48.6 -57.8 -47.7 16.2 -5.4 23.3 89 93 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.814 107.9 56.4 -63.8 -34.3 15.1 -7.6 26.3 90 94 A K H X S+ 0 0 77 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.944 108.2 44.9 -63.3 -46.2 16.8 -10.6 24.7 91 95 A E H X S+ 0 0 5 -4,-2.0 4,-0.7 1,-0.2 5,-0.2 0.910 114.5 51.2 -62.8 -43.3 20.2 -8.9 24.5 92 96 A L H >X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 3,-1.0 0.907 107.8 51.5 -58.7 -44.3 19.7 -7.7 28.0 93 97 A E H 3< S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.5 46.9 -66.4 -29.3 18.8 -11.2 29.2 94 98 A N H 3< S+ 0 0 123 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.598 125.7 26.6 -88.8 -5.7 21.9 -12.6 27.7 95 99 A T H << S+ 0 0 37 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.2 0.709 99.9 75.5-124.9 -34.8 24.2 -9.9 29.0 96 100 A I S >< S- 0 0 29 -4,-3.1 3,-2.1 -5,-0.2 -1,-0.1 -0.763 83.9-114.8 -94.0 124.4 23.0 -8.3 32.3 97 101 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.283 95.8 5.0 -57.2 130.3 23.5 -10.5 35.3 98 102 A G T 3 S+ 0 0 82 1,-0.2 2,-0.3 -5,-0.1 -5,-0.1 0.450 91.2 143.7 80.5 -2.8 20.2 -11.6 36.9 99 103 A F < - 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