==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-12 4AYQ . COMPND 2 MOLECULE: MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER SP.; . AUTHOR A.J.THOMPSON,J.DABIN,J.IGLESIAS-FERNANDEZ,A.IGLESIAS-FERNAND . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 72.8 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 . 46 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 17 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 0 1 0 1 1 1 1 3 0 0 1 2 2 0 0 0 1 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 . 3 6 5 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 . 5 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 29 A T 0 0 144 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.0 11.0 -42.0 13.6 2 30 A P - 0 0 129 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.303 360.0 -96.8 -59.0 142.4 7.9 -40.6 11.9 3 31 A E - 0 0 69 1,-0.1 2,-1.1 2,-0.0 3,-0.1 -0.421 26.5-135.7 -60.0 133.1 8.6 -38.2 9.1 4 32 A D > - 0 0 95 1,-0.2 4,-2.0 -2,-0.2 5,-0.1 -0.765 22.7-172.9 -88.0 98.6 8.4 -34.6 10.2 5 33 A W H > S+ 0 0 40 -2,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.851 80.0 55.6 -66.3 -34.4 6.4 -33.3 7.2 6 34 A K H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 107.7 48.3 -67.5 -38.9 6.8 -29.7 8.2 7 35 A A H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 111.3 51.2 -64.5 -39.8 10.6 -30.0 8.3 8 36 A L H X S+ 0 0 11 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.928 108.8 51.0 -64.5 -40.6 10.4 -31.6 4.9 9 37 A A H X S+ 0 0 4 -4,-2.6 4,-2.4 399,-0.3 -2,-0.2 0.902 107.8 52.9 -59.4 -42.7 8.3 -28.8 3.6 10 38 A A H X S+ 0 0 58 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.867 108.2 51.2 -62.1 -36.5 10.8 -26.3 5.0 11 39 A D H X S+ 0 0 50 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.918 108.3 50.8 -65.8 -43.5 13.5 -28.1 3.1 12 40 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.924 112.3 47.5 -57.3 -47.0 11.5 -28.0 -0.2 13 41 A R H X S+ 0 0 82 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.914 111.2 50.7 -61.8 -44.6 11.1 -24.2 0.4 14 42 A S H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 112.2 46.8 -57.3 -47.1 14.8 -23.7 1.1 15 43 A E H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.880 111.6 51.3 -65.0 -39.3 15.8 -25.6 -2.0 16 44 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.927 110.8 47.9 -64.4 -44.8 13.3 -23.7 -4.1 17 45 A Q H X S+ 0 0 53 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.902 111.3 51.1 -61.0 -42.8 14.6 -20.4 -2.8 18 46 A W H X S+ 0 0 61 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.920 110.9 48.2 -60.6 -45.0 18.2 -21.5 -3.5 19 47 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 109.2 53.8 -61.0 -44.6 17.2 -22.5 -7.1 20 48 A W H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.910 104.7 54.9 -55.7 -44.9 15.5 -19.1 -7.5 21 49 A Q H X S+ 0 0 99 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.890 107.1 50.6 -57.3 -38.9 18.7 -17.4 -6.4 22 50 A G H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 5,-0.3 0.910 109.5 50.5 -64.4 -42.3 20.5 -19.3 -9.2 23 51 A Y H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.925 111.2 48.2 -59.6 -46.5 18.0 -18.2 -11.7 24 52 A V H X S+ 0 0 62 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.913 115.7 45.3 -60.5 -41.2 18.4 -14.6 -10.6 25 53 A A H < S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.827 130.8 16.7 -71.7 -35.2 22.2 -14.9 -10.8 26 54 A K H < S+ 0 0 88 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.613 134.4 24.2-116.5 -19.7 22.4 -16.7 -14.2 27 55 A A H >< + 0 0 1 -4,-2.7 3,-2.6 -5,-0.3 -3,-0.2 0.028 67.5 167.9-144.2 29.2 19.2 -16.4 -16.2 28 56 A W T 3< S- 0 0 103 -4,-0.5 3,-0.1 1,-0.3 -4,-0.1 -0.268 79.8 -0.1 -62.3 125.2 17.3 -13.3 -15.0 29 57 A G T 3 S+ 0 0 11 1,-0.3 22,-1.0 22,-0.1 -1,-0.3 0.427 109.0 118.9 78.6 -0.4 14.4 -12.6 -17.4 30 58 A K S < S- 0 0 91 -3,-2.6 23,-0.5 21,-0.2 24,-0.5 -0.489 73.1-115.8 -97.4 167.2 15.4 -15.5 -19.5 31 59 A D S S+ 0 0 0 1,-0.2 22,-1.8 10,-0.2 2,-0.3 0.943 86.3 1.4 -72.7 -49.6 13.2 -18.6 -20.3 32 60 A E E -A 41 0A 9 9,-2.1 9,-2.3 20,-0.1 2,-0.4 -0.994 62.8-129.5-140.1 146.2 15.2 -21.4 -18.6 33 61 A I E -A 40 0A 1 359,-0.4 359,-2.7 -2,-0.3 7,-0.3 -0.757 7.1-150.3 -87.7 142.7 18.3 -21.8 -16.6 34 62 A N E >> -A 39 0A 14 5,-3.2 4,-1.9 -2,-0.4 5,-1.7 -0.959 20.9-169.2-103.2 97.6 21.0 -24.4 -17.6 35 63 A P T 45S+ 0 0 0 0, 0.0 338,-2.2 0, 0.0 339,-0.2 0.501 74.2 55.8 -84.3 -2.7 22.1 -25.0 -14.0 36 64 A V T 45S+ 0 0 64 336,-0.2 354,-0.1 335,-0.2 336,-0.1 0.880 121.1 28.6 -86.5 -51.0 25.3 -27.0 -14.7 37 65 A S T 45S- 0 0 62 2,-0.1 3,-0.1 335,-0.0 -1,-0.1 0.735 105.5-126.8 -75.9 -23.1 26.9 -24.5 -17.0 38 66 A G T <5 + 0 0 13 -4,-1.9 2,-0.2 1,-0.2 -5,-0.0 0.920 68.4 117.1 71.4 44.7 25.1 -21.5 -15.3 39 67 A T E < -A 34 0A 65 -5,-1.7 -5,-3.2 -12,-0.1 2,-0.3 -0.692 57.0-118.5-128.8-179.8 23.7 -20.1 -18.5 40 68 A S E -A 33 0A 45 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.857 17.3-163.3-120.5 162.5 20.3 -19.5 -19.9 41 69 A R E -A 32 0A 107 -9,-2.3 -9,-2.1 -2,-0.3 -10,-0.2 -0.977 21.9-114.6-139.3 158.6 18.3 -20.7 -22.9 42 70 A S - 0 0 18 -2,-0.3 4,-0.1 -11,-0.2 7,-0.1 -0.535 22.4-176.1 -82.8 154.4 15.2 -19.6 -24.8 43 71 A F S S+ 0 0 63 2,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.736 75.4 24.0-116.1 -57.4 12.0 -21.7 -24.9 44 72 A F S S+ 0 0 24 1,-0.3 2,-0.4 4,-0.1 46,-0.1 0.939 131.6 14.5 -81.2 -49.5 9.4 -20.2 -27.2 45 73 A I S > S- 0 0 26 3,-0.3 3,-2.5 44,-0.1 -1,-0.3 -0.990 85.3-115.4-133.9 116.5 11.3 -18.0 -29.6 46 74 A E T 3 S+ 0 0 164 -2,-0.4 -5,-0.0 1,-0.3 -3,-0.0 -0.331 101.0 4.9 -58.6 126.8 15.1 -18.3 -30.0 47 75 A G T 3 S+ 0 0 70 -2,-0.1 -1,-0.3 1,-0.1 2,-0.2 0.409 115.8 84.5 79.6 -1.8 16.7 -15.1 -28.8 48 76 A H < - 0 0 83 -3,-2.5 -3,-0.3 37,-0.0 -4,-0.1 -0.645 65.3-171.9-130.4 74.5 13.5 -13.6 -27.7 49 77 A D - 0 0 28 -2,-0.2 -7,-0.1 1,-0.1 -19,-0.1 -0.259 18.1-160.8 -67.7 155.8 12.9 -14.9 -24.2 50 78 A L - 0 0 3 31,-0.1 -20,-0.2 33,-0.0 5,-0.2 -0.092 50.1-100.1-128.1 27.5 9.7 -14.2 -22.3 51 79 A G > + 0 0 0 -22,-1.0 4,-2.6 3,-0.1 3,-0.4 0.813 60.2 169.2 59.7 34.2 10.8 -14.8 -18.7 52 80 A L H > + 0 0 0 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.861 69.4 41.1 -48.8 -59.0 9.3 -18.3 -18.9 53 81 A S H > S+ 0 0 0 -22,-1.8 4,-1.9 -23,-0.5 -1,-0.3 0.852 113.6 54.6 -66.2 -34.2 10.7 -19.8 -15.7 54 82 A L H > S+ 0 0 0 -24,-0.5 4,-0.8 -3,-0.4 -1,-0.2 0.949 111.9 44.1 -57.4 -51.0 10.1 -16.6 -13.7 55 83 A V H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.5 0.918 112.8 51.8 -62.4 -44.5 6.5 -16.6 -14.7 56 84 A E H 3< S+ 0 0 0 -4,-2.8 4,-0.5 -5,-0.3 3,-0.3 0.854 109.3 51.7 -60.4 -34.6 6.1 -20.3 -14.0 57 85 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.643 85.1 89.7 -74.5 -20.7 7.6 -19.9 -10.5 58 86 A L H S+ 0 0 0 -4,-0.5 4,-2.7 -3,-0.3 -1,-0.2 0.907 114.7 54.1 -64.4 -34.4 2.5 -18.9 -7.8 60 88 A T H > S+ 0 0 0 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.936 107.9 50.3 -58.9 -47.9 4.9 -21.4 -6.2 61 89 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 4,-0.4 0.929 112.0 47.6 -56.1 -47.7 6.9 -18.6 -4.6 62 90 A W H ><5S+ 0 0 20 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.939 109.9 51.3 -61.8 -45.4 3.7 -17.0 -3.2 63 91 A I H 3<5S+ 0 0 2 -4,-2.7 350,-0.3 1,-0.3 -1,-0.2 0.869 109.9 51.1 -61.0 -38.8 2.4 -20.3 -1.8 64 92 A M T 3<5S- 0 0 5 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.469 115.4-114.7 -75.7 -4.2 5.7 -20.9 -0.1 65 93 A G T < 5 + 0 0 18 -3,-1.7 2,-1.5 -4,-0.4 3,-0.2 0.765 69.4 143.3 71.5 24.2 5.7 -17.4 1.5 66 94 A L >< + 0 0 1 -5,-2.6 4,-2.7 -6,-0.2 -1,-0.2 -0.588 20.1 160.2 -89.8 69.8 8.7 -16.4 -0.5 67 95 A D H > + 0 0 71 -2,-1.5 4,-2.7 1,-0.2 5,-0.2 0.886 63.0 50.7 -72.5 -41.1 7.1 -13.0 -0.8 68 96 A A H > S+ 0 0 77 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 114.5 46.1 -60.6 -42.8 10.1 -10.8 -1.6 69 97 A E H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.932 111.9 51.2 -65.2 -47.5 11.0 -13.2 -4.4 70 98 A F H X S+ 0 0 6 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.931 111.7 47.4 -52.1 -50.8 7.4 -13.3 -5.7 71 99 A Q H X S+ 0 0 82 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.862 107.8 55.0 -66.3 -34.8 7.3 -9.6 -5.7 72 100 A A H X S+ 0 0 42 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.912 112.0 45.1 -61.7 -42.4 10.6 -9.3 -7.6 73 101 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 113.2 48.6 -67.1 -46.3 9.2 -11.6 -10.2 74 102 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.921 111.0 51.3 -57.5 -44.7 5.9 -9.8 -10.5 75 103 A D H X S+ 0 0 81 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.862 108.2 52.1 -64.6 -35.7 7.7 -6.4 -10.7 76 104 A W H X S+ 0 0 32 -4,-1.8 4,-2.4 -5,-0.2 5,-0.4 0.936 110.5 48.6 -61.2 -46.6 9.8 -7.8 -13.5 77 105 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.945 110.7 50.2 -58.6 -47.4 6.7 -8.9 -15.4 78 106 A K H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 119.1 36.9 -63.2 -38.2 5.0 -5.6 -15.0 79 107 A A H < S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.799 133.2 16.9 -78.4 -32.2 8.0 -3.7 -16.2 80 108 A N H < S+ 0 0 95 -4,-2.4 2,-0.6 -5,-0.2 -3,-0.2 0.645 85.9 102.2-122.5 -25.6 9.2 -6.0 -19.0 81 109 A L < + 0 0 4 -4,-2.1 2,-0.3 -5,-0.4 -31,-0.1 -0.650 39.0 156.3 -88.7 121.0 6.9 -8.7 -20.3 82 110 A S - 0 0 65 -2,-0.6 35,-0.0 1,-0.0 -3,-0.0 -0.978 31.9-159.8-137.1 148.2 5.3 -7.9 -23.6 83 111 A F + 0 0 3 -2,-0.3 2,-1.9 60,-0.1 -2,-0.0 0.236 59.7 111.5-118.4 14.1 3.8 -10.2 -26.3 84 112 A D + 0 0 78 2,-0.1 2,-0.4 60,-0.1 60,-0.1 -0.568 51.2 143.6 -84.4 76.9 3.9 -7.8 -29.3 85 113 A V - 0 0 9 -2,-1.9 2,-1.9 2,-0.2 59,-1.3 -0.973 56.6-135.6-129.8 126.4 6.6 -10.0 -30.8 86 114 A D S S+ 0 0 106 -2,-0.4 2,-0.3 57,-0.2 -2,-0.1 -0.571 73.8 93.0 -81.2 76.6 7.1 -10.9 -34.5 87 115 A G S S- 0 0 11 -2,-1.9 56,-2.2 54,-0.1 2,-0.4 -0.976 78.3 -96.0-163.5 160.3 7.8 -14.5 -33.9 88 116 A N E -B 142 0B 82 -2,-0.3 2,-0.4 54,-0.2 54,-0.3 -0.682 34.4-171.8 -89.7 130.9 6.1 -17.9 -33.8 89 117 A A E -B 141 0B 0 52,-2.7 52,-2.2 -2,-0.4 2,-0.6 -0.964 30.8-114.1-121.7 140.6 4.9 -19.3 -30.5 90 118 A Q E > -B 140 0B 36 -2,-0.4 4,-2.5 50,-0.2 50,-0.3 -0.613 26.3-146.8 -73.9 116.5 3.5 -22.7 -29.8 91 119 A V H > S+ 0 0 0 48,-2.5 4,-2.3 -2,-0.6 5,-0.2 0.883 91.6 49.4 -56.2 -47.0 -0.1 -22.1 -28.8 92 120 A F H > S+ 0 0 22 47,-0.4 4,-2.5 1,-0.2 5,-0.3 0.935 115.1 42.1 -60.5 -52.2 -0.5 -24.9 -26.3 93 121 A E H >>S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.6 0.893 112.5 54.8 -66.8 -37.9 2.7 -24.2 -24.4 94 122 A T H X>S+ 0 0 1 -4,-2.5 5,-2.0 1,-0.2 4,-1.6 0.926 112.2 44.3 -63.1 -41.7 2.1 -20.5 -24.4 95 123 A N H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 6,-0.2 0.964 116.5 42.2 -65.3 -55.7 -1.3 -21.0 -22.9 96 124 A I H <5S+ 0 0 6 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.853 127.2 30.9 -68.6 -30.8 -0.4 -23.5 -20.2 97 125 A R H X5S+ 0 0 11 -4,-2.3 4,-0.8 -5,-0.3 -3,-0.2 0.915 132.2 22.3 -90.8 -48.6 2.8 -21.8 -19.1 98 126 A L H X> - 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