==== 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 12-OCT-98 1EUG . 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) . 10806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 61.8 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 . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 28.4 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 1 2 1 0 0 0 0 1 0 1 1 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 0 127 0, 0.0 49,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 131.3 20.1 24.7 32.4 2 6 A T > - 0 0 54 47,-0.1 4,-1.8 46,-0.1 5,-0.2 -0.537 360.0-100.1 -98.7 170.8 16.8 22.9 31.7 3 7 A W H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.931 124.7 51.6 -56.0 -45.1 15.5 21.8 28.4 4 8 A H H > S+ 0 0 108 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 104.3 58.5 -64.3 -34.3 13.2 24.8 28.1 5 9 A D H 4 S+ 0 0 93 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.926 116.6 32.2 -55.4 -46.8 16.2 27.1 28.8 6 10 A V H < S+ 0 0 24 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.626 126.1 41.3 -93.2 -10.3 18.0 25.8 25.8 7 11 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.482 82.9 97.1-111.3 -3.8 15.1 25.1 23.5 8 12 A A T < S+ 0 0 32 -4,-2.0 4,-0.4 1,-0.2 -3,-0.1 0.929 91.4 41.4 -52.9 -50.8 12.9 28.1 24.2 9 13 A E T >4 S+ 0 0 156 -4,-0.3 3,-1.8 1,-0.2 4,-0.3 0.948 113.2 53.9 -61.3 -44.5 14.1 29.9 21.1 10 14 A E G >4 S+ 0 0 35 1,-0.3 3,-1.8 -4,-0.2 6,-0.3 0.913 104.6 55.6 -56.6 -39.8 14.1 26.8 19.0 11 15 A K G 3< S+ 0 0 55 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.530 100.7 59.4 -76.6 -1.3 10.4 26.2 19.9 12 16 A Q G < S+ 0 0 136 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.362 81.6 111.0 -99.0 2.7 9.5 29.7 18.7 13 17 A Q S X> S- 0 0 71 -3,-1.8 4,-2.5 -4,-0.3 3,-0.9 -0.538 75.3-125.0 -80.0 141.8 10.7 28.9 15.1 14 18 A P H 3> S+ 0 0 84 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.865 108.3 58.3 -51.1 -42.7 8.2 28.6 12.3 15 19 A Y H 3> S+ 0 0 57 1,-0.2 4,-1.3 2,-0.2 121,-0.3 0.875 112.5 42.5 -54.0 -38.4 9.3 25.1 11.2 16 20 A F H <> S+ 0 0 8 -3,-0.9 4,-2.1 -6,-0.3 -1,-0.2 0.963 117.0 43.6 -76.5 -48.6 8.6 23.9 14.8 17 21 A L H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.857 112.4 53.8 -68.3 -30.0 5.3 25.7 15.3 18 22 A N H X S+ 0 0 81 -4,-3.4 4,-2.3 -5,-0.3 -1,-0.2 0.873 105.2 56.2 -69.4 -32.9 4.1 24.8 11.8 19 23 A T H X S+ 0 0 7 -4,-1.3 4,-2.3 -5,-0.3 -2,-0.2 0.957 108.7 45.4 -59.5 -48.2 4.9 21.2 12.7 20 24 A L H X S+ 0 0 57 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.885 109.6 55.8 -65.5 -33.7 2.6 21.4 15.7 21 25 A Q H X S+ 0 0 114 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.929 107.6 48.9 -61.7 -43.0 -0.1 23.1 13.6 22 26 A T H X S+ 0 0 49 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.928 112.7 47.2 -61.4 -45.3 -0.0 20.2 11.1 23 27 A V H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.967 111.9 50.1 -61.4 -48.0 -0.3 17.7 13.9 24 28 A A H X S+ 0 0 57 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.902 112.9 48.1 -58.8 -40.5 -3.1 19.6 15.6 25 29 A S H >< S+ 0 0 76 -4,-2.8 3,-1.3 -5,-0.2 4,-0.3 0.943 109.9 49.9 -63.1 -48.5 -5.0 19.8 12.3 26 30 A E H ><>S+ 0 0 27 -4,-2.9 3,-2.2 1,-0.3 5,-1.1 0.924 103.3 60.8 -64.3 -36.8 -4.6 16.1 11.4 27 31 A R H 3<5S+ 0 0 60 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.795 111.0 41.6 -56.9 -26.7 -5.9 15.1 14.9 28 32 A Q T <<5S+ 0 0 171 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.347 100.7 74.7-103.2 10.6 -9.1 16.9 14.0 29 33 A S T < 5S- 0 0 75 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.1 0.083 120.2 -83.5-110.8 21.5 -9.4 15.7 10.4 30 34 A G T 5S+ 0 0 82 -3,-0.4 2,-0.4 1,-0.3 -3,-0.1 0.685 97.3 113.7 88.7 18.2 -10.5 12.1 10.9 31 35 A V < - 0 0 50 -5,-1.1 2,-0.5 94,-0.0 -1,-0.3 -0.984 61.4-135.6-125.7 134.0 -7.0 10.8 11.5 32 36 A T - 0 0 78 -2,-0.4 94,-3.0 94,-0.1 2,-0.4 -0.800 22.0-162.2 -88.5 131.0 -5.6 9.3 14.8 33 37 A I E -A 125 0A 6 -2,-0.5 92,-0.2 92,-0.2 4,-0.1 -0.908 18.5-108.7-113.4 139.5 -2.1 10.6 15.7 34 38 A Y E S+A 124 0A 38 90,-2.9 90,-2.2 -2,-0.4 35,-0.1 -0.934 84.0 26.3-119.5 148.9 0.2 9.0 18.2 35 39 A P S S- 0 0 2 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.720 94.6-101.8 -81.1 178.8 1.2 9.6 20.8 36 40 A P >> - 0 0 45 0, 0.0 3,-2.4 0, 0.0 4,-0.7 -0.240 37.4-106.5 -53.6 148.2 -1.5 11.8 22.5 37 41 A Q G >4 S+ 0 0 156 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.839 118.8 56.9 -51.3 -38.3 -0.6 15.5 22.5 38 42 A K G 34 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.670 110.2 45.8 -71.0 -13.8 0.2 15.4 26.3 39 43 A D G X4 S+ 0 0 13 -3,-2.4 3,-2.3 1,-0.1 -1,-0.3 0.551 79.6 99.1-102.4 -6.6 2.8 12.7 25.8 40 44 A V T << S+ 0 0 9 -3,-1.0 3,-0.3 -4,-0.7 -1,-0.1 0.774 94.9 33.6 -55.0 -29.3 4.7 13.9 22.7 41 45 A F T >> S+ 0 0 62 -4,-0.3 4,-1.8 1,-0.2 3,-1.4 0.158 77.6 123.2-115.8 21.2 7.5 15.3 24.8 42 46 A N H <> + 0 0 7 -3,-2.3 4,-2.6 1,-0.3 5,-0.3 0.767 68.2 64.3 -56.5 -29.8 7.6 12.8 27.6 43 47 A A H 3> S+ 0 0 3 27,-1.0 4,-1.4 -3,-0.3 -1,-0.3 0.880 108.0 42.6 -61.2 -34.9 11.3 11.9 27.0 44 48 A F H <4 S+ 0 0 17 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.869 112.7 53.3 -75.4 -41.1 12.1 15.5 28.0 45 49 A R H < S+ 0 0 159 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.895 114.3 41.5 -55.7 -43.9 9.6 15.4 31.0 46 50 A F H < S+ 0 0 29 -4,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.740 122.6 34.1 -90.6 -21.7 11.2 12.3 32.4 47 51 A T S < S- 0 0 1 -4,-1.4 -1,-0.3 -5,-0.3 5,-0.1 -0.823 78.1-152.0-139.2 107.2 14.8 13.0 31.9 48 52 A E >> - 0 0 70 -2,-0.4 3,-1.7 -3,-0.2 4,-0.7 -0.269 31.5-101.7 -67.1 155.6 15.9 16.6 32.2 49 53 A L G >4 S+ 0 0 3 1,-0.3 3,-1.2 2,-0.2 -47,-0.1 0.885 122.4 46.8 -47.4 -52.1 18.9 18.0 30.4 50 54 A G G 34 S+ 0 0 45 -49,-0.4 -1,-0.3 1,-0.2 -48,-0.1 0.654 110.3 55.4 -70.7 -12.4 21.2 17.9 33.3 51 55 A D G <4 S+ 0 0 106 -3,-1.7 -1,-0.2 64,-0.0 -2,-0.2 0.442 74.9 123.5 -95.4 -3.9 20.1 14.3 34.2 52 56 A V << + 0 0 0 -3,-1.2 63,-0.2 -4,-0.7 3,-0.1 -0.419 18.9 152.4 -62.7 124.9 20.9 12.7 30.8 53 57 A K + 0 0 29 61,-3.4 103,-2.8 1,-0.5 2,-0.4 0.660 68.1 20.4-116.4 -41.3 23.3 9.8 31.2 54 58 A V E -cd 115 156B 0 60,-1.8 62,-2.8 101,-0.2 2,-0.5 -0.998 64.9-156.4-133.6 131.6 22.5 7.6 28.2 55 59 A V E -cd 116 157B 0 101,-3.0 103,-3.0 -2,-0.4 2,-0.5 -0.960 8.5-174.7-110.4 127.0 20.8 8.5 25.0 56 60 A I E -cd 117 158B 0 60,-2.7 62,-1.3 -2,-0.5 2,-0.4 -0.981 16.3-146.9-119.4 116.4 19.0 5.8 23.0 57 61 A L E -c 118 0B 2 101,-1.2 103,-0.4 -2,-0.5 62,-0.3 -0.673 16.9-179.1 -82.8 134.3 17.7 7.0 19.7 58 62 A G E -c 119 0B 7 60,-2.2 62,-1.0 -2,-0.4 14,-0.1 -0.520 16.9-146.5-105.4-174.0 14.5 5.6 18.2 59 63 A Q + 0 0 66 1,-0.5 62,-2.3 60,-0.2 -1,-0.2 0.540 69.1 15.0-114.1 -81.1 13.2 6.7 14.8 60 64 A D S S- 0 0 26 60,-0.2 -1,-0.5 59,-0.1 62,-0.1 -0.685 80.3-108.4 -93.5 144.2 9.4 6.7 14.5 61 65 A P - 0 0 3 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.342 49.2 -91.0 -60.2 150.2 6.9 6.5 17.4 62 66 A Y - 0 0 44 12,-0.2 6,-0.4 1,-0.1 62,-0.1 -0.377 38.1-147.5 -56.8 145.3 5.1 3.1 17.5 63 67 A H + 0 0 71 4,-0.1 64,-2.2 -3,-0.1 65,-0.2 0.247 60.1 91.1-113.0 19.9 1.9 3.5 15.4 64 68 A G S >> S- 0 0 12 62,-0.2 3,-1.7 63,-0.1 4,-0.6 -0.702 86.5 -80.0-108.6 161.3 -0.6 1.3 17.1 65 69 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.369 112.9 6.6 -63.6 136.5 -3.2 2.0 19.8 66 70 A G T 34 S+ 0 0 30 2,-0.2 10,-1.6 1,-0.1 13,-0.1 0.312 108.6 94.3 76.8 -3.1 -1.7 2.0 23.3 67 71 A Q T <4 + 0 0 50 -3,-1.7 9,-0.5 8,-0.2 -4,-0.1 0.978 68.6 56.6 -83.6 -72.3 1.9 1.7 22.1 68 72 A A < + 0 0 7 -4,-0.6 -2,-0.2 -6,-0.4 7,-0.1 -0.311 44.0 156.4 -66.2 137.1 3.5 5.1 21.9 69 73 A H S S- 0 0 2 2,-0.3 -1,-0.1 5,-0.3 3,-0.1 0.055 74.8 -77.3-148.1 33.5 3.6 7.3 24.9 70 74 A G S S+ 0 0 11 1,-0.2 -27,-1.0 4,-0.1 2,-0.4 0.464 101.1 102.2 89.6 11.0 6.6 9.6 24.1 71 75 A L S > S- 0 0 3 3,-0.2 3,-1.2 -29,-0.1 -2,-0.3 -0.992 76.4-110.7-125.2 125.3 9.5 7.3 24.9 72 76 A A T 3 S- 0 0 0 45,-2.3 3,-0.1 -2,-0.4 46,-0.1 -0.296 96.8 -2.2 -52.6 137.0 11.5 5.5 22.3 73 77 A F T 3 S+ 0 0 14 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.128 106.0 115.0 68.4 -12.6 11.0 1.7 22.2 74 78 A S < - 0 0 0 -3,-1.2 2,-0.3 43,-0.1 -5,-0.3 -0.501 44.5-164.4 -87.5 155.3 8.6 1.7 25.2 75 79 A V - 0 0 0 30,-2.3 -8,-0.2 -2,-0.2 -7,-0.1 -0.900 31.2 -90.9-130.9 164.4 4.9 0.8 25.3 76 80 A R > - 0 0 74 -10,-1.6 3,-1.8 -9,-0.5 29,-0.4 -0.221 55.8 -79.5 -72.0 164.7 2.2 1.4 27.9 77 81 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.391 119.0 26.4 -57.0 139.6 1.5 -1.0 30.7 78 82 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.300 95.9 117.1 88.1 -7.2 -0.7 -3.9 29.6 79 83 A I S < S- 0 0 52 -3,-1.8 26,-0.4 -13,-0.1 -1,-0.3 -0.687 74.6 -98.9 -94.7 146.0 0.5 -3.7 25.9 80 84 A A - 0 0 83 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 -0.385 41.2-106.9 -61.4 141.1 2.4 -6.4 24.2 81 85 A I - 0 0 31 1,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.531 39.3-123.9 -67.0 118.0 6.1 -6.0 24.1 82 86 A P > - 0 0 8 0, 0.0 4,-2.6 0, 0.0 3,-0.5 -0.254 20.9-108.9 -68.1 154.6 7.0 -5.0 20.5 83 87 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.880 118.2 55.4 -52.2 -40.7 9.6 -7.2 18.6 84 88 A S H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.942 112.3 43.4 -58.5 -42.4 12.3 -4.4 18.7 85 89 A L H > S+ 0 0 0 -3,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.862 109.3 56.5 -73.3 -34.7 12.0 -4.3 22.5 86 90 A L H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.906 107.4 49.7 -60.8 -37.6 11.9 -8.0 22.9 87 91 A N H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.910 109.9 50.4 -72.0 -34.8 15.2 -8.2 21.1 88 92 A M H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.938 110.1 50.3 -60.7 -45.5 16.6 -5.5 23.4 89 93 A Y H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.848 107.7 54.8 -59.8 -37.4 15.4 -7.6 26.4 90 94 A K H X S+ 0 0 78 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.925 108.7 46.3 -64.8 -41.9 17.1 -10.6 24.9 91 95 A E H X S+ 0 0 4 -4,-2.1 4,-0.6 2,-0.2 5,-0.2 0.906 112.9 51.5 -64.0 -39.4 20.5 -8.9 24.6 92 96 A L H >X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 3,-1.3 0.947 109.0 49.7 -62.3 -46.5 19.9 -7.6 28.2 93 97 A E H 3< S+ 0 0 84 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.848 111.3 50.0 -64.1 -31.6 19.2 -11.2 29.4 94 98 A N H 3< S+ 0 0 125 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.565 127.2 21.1 -79.0 -8.1 22.3 -12.5 27.7 95 99 A T H << S+ 0 0 35 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.2 0.710 100.3 77.8-133.3 -34.4 24.6 -9.8 29.2 96 100 A I S >< S- 0 0 28 -4,-3.2 3,-2.2 -5,-0.2 -1,-0.2 -0.770 82.9-117.1 -89.7 119.0 23.3 -8.1 32.4 97 101 A P T 3 S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.268 95.5 8.2 -55.1 131.3 23.8 -10.3 35.4 98 102 A G T 3 S+ 0 0 78 1,-0.3 2,-0.1 -5,-0.1 -5,-0.1 0.355 90.9 143.6 84.9 -9.7 20.5 -11.3 37.1 99 103 A F < - 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