==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-98 1SLI . COMPND 2 MOLECULE: INTRAMOLECULAR TRANS-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MACROBDELLA DECORA; . AUTHOR Y.LUO,S.C.LI,M.Y.CHOU,Y.T.LI,M.LUO . 679 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 36.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 1 0.1 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 . 65 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 7 6 4 3 6 7 3 2 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 . 2 1 4 2 2 0 1 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 81 A I 0 0 98 0, 0.0 5,-0.0 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 112.9 -9.6 -26.5 -1.3 2 82 A P - 0 0 62 0, 0.0 2,-0.5 0, 0.0 177,-0.1 -0.163 360.0-101.6 -66.9 164.0 -6.8 -25.2 -3.6 3 83 A E S S+ 0 0 163 176,-0.1 2,-0.3 175,-0.1 175,-0.0 -0.798 83.8 11.2 -91.2 124.1 -3.4 -24.0 -2.5 4 84 A G S S+ 0 0 19 -2,-0.5 175,-2.5 0, 0.0 2,-0.5 -0.895 109.7 14.3 118.8-150.1 -3.0 -20.2 -2.5 5 85 A I E +A 178 0A 87 -2,-0.3 173,-0.3 173,-0.2 3,-0.1 -0.572 48.1 176.3 -72.9 117.8 -5.4 -17.3 -2.8 6 86 A L E S+ 0 0 15 171,-2.9 2,-0.3 -2,-0.5 21,-0.2 0.706 70.1 3.2 -90.5 -25.1 -9.0 -18.3 -2.4 7 87 A M E -A 177 0A 8 170,-1.3 170,-2.5 19,-0.1 2,-0.3 -0.979 56.9-179.7-163.4 145.5 -10.4 -14.8 -2.6 8 88 A E E +A 176 0A 73 -2,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.977 4.6 175.9-151.6 137.4 -9.4 -11.2 -3.2 9 89 A K E -A 175 0A 49 166,-1.7 166,-2.0 -2,-0.3 2,-0.3 -0.989 10.4-159.0-141.4 147.0 -11.3 -8.0 -3.3 10 90 A N E +A 174 0A 77 -2,-0.3 164,-0.3 164,-0.2 163,-0.2 -0.959 60.1 4.2-132.7 151.6 -10.2 -4.3 -3.7 11 91 A N E + 0 0 133 162,-2.4 2,-0.6 -2,-0.3 162,-0.2 0.896 69.0 170.8 44.3 63.2 -11.6 -0.9 -3.0 12 92 A V E -A 172 0A 7 160,-2.6 160,-3.0 -3,-0.1 2,-0.5 -0.893 20.0-155.6-105.8 113.9 -14.8 -1.8 -1.2 13 93 A D E -A 171 0A 126 -2,-0.6 2,-0.5 158,-0.2 158,-0.2 -0.782 10.8-161.6 -89.0 129.0 -16.7 1.1 0.4 14 94 A I E -A 170 0A 9 156,-2.8 156,-2.0 -2,-0.5 2,-0.3 -0.948 12.6-138.4-119.6 118.7 -19.0 0.0 3.2 15 95 A A >> - 0 0 64 -2,-0.5 3,-2.8 4,-0.3 4,-0.8 -0.589 45.2 -90.4 -72.2 131.4 -21.8 2.1 4.6 16 96 A E T 34 S+ 0 0 110 -2,-0.3 153,-0.2 1,-0.3 -1,-0.1 -0.165 111.9 8.3 -45.2 122.6 -21.9 1.9 8.4 17 97 A G T 34 S+ 0 0 31 151,-1.0 -1,-0.3 139,-0.3 147,-0.2 0.314 109.4 90.0 86.2 -7.2 -24.1 -0.9 9.4 18 98 A Q T <4 - 0 0 140 -3,-2.8 -2,-0.2 150,-0.3 139,-0.1 0.823 65.0-168.3 -90.7 -36.2 -24.6 -2.3 5.9 19 99 A G < - 0 0 12 -4,-0.8 2,-0.3 149,-0.4 -4,-0.3 -0.163 22.1-105.0 70.1-176.5 -21.8 -4.8 5.6 20 100 A Y E -F 155 0B 83 135,-1.5 135,-2.8 137,-0.1 2,-0.4 -0.919 22.8-130.3-153.1 123.8 -20.8 -6.3 2.2 21 101 A S E +F 154 0B 55 -2,-0.3 3,-0.2 133,-0.2 133,-0.2 -0.630 21.3 178.0 -82.7 130.1 -21.5 -9.9 1.0 22 102 A L > + 0 0 0 131,-2.9 3,-1.1 -2,-0.4 6,-0.1 0.057 52.0 111.1-111.8 20.8 -18.8 -12.0 -0.5 23 103 A D T 3 S+ 0 0 45 130,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.753 73.3 52.9 -68.7 -26.5 -21.0 -15.0 -0.9 24 104 A Q T 3 S+ 0 0 142 -3,-0.2 -1,-0.2 4,-0.1 2,-0.2 0.403 80.5 120.0 -89.2 1.9 -21.1 -14.9 -4.7 25 105 A E S X S- 0 0 40 -3,-1.1 3,-2.3 1,-0.1 4,-0.4 -0.472 76.1-119.4 -65.5 139.4 -17.2 -14.8 -5.0 26 106 A A T 3 S+ 0 0 95 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.824 113.1 43.9 -47.5 -37.1 -15.9 -17.8 -6.9 27 107 A G T >> S+ 0 0 6 -21,-0.2 4,-2.2 1,-0.2 3,-1.4 0.396 78.0 104.7 -95.1 5.4 -14.0 -19.0 -3.9 28 108 A A H <> S+ 0 0 3 -3,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.878 77.5 59.1 -52.7 -40.9 -16.7 -18.5 -1.2 29 109 A K H 34 S+ 0 0 142 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.822 110.4 43.0 -59.0 -31.1 -17.3 -22.3 -1.0 30 110 A Y H X4 S+ 0 0 80 -3,-1.4 3,-1.5 2,-0.2 -1,-0.2 0.895 111.6 51.8 -80.5 -43.7 -13.6 -22.7 -0.1 31 111 A V H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.875 104.0 59.8 -60.8 -36.2 -13.5 -19.8 2.4 32 112 A K T 3< S+ 0 0 62 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.563 113.3 37.5 -69.4 -8.0 -16.5 -21.3 4.2 33 113 A A T < S+ 0 0 44 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.205 79.4 152.1-130.1 17.3 -14.7 -24.5 4.9 34 114 A M < - 0 0 2 -3,-1.2 111,-2.6 -4,-0.2 112,-0.3 -0.229 27.9-168.8 -55.5 129.0 -11.1 -23.3 5.6 35 115 A T S S- 0 0 81 1,-0.2 2,-0.3 109,-0.2 -1,-0.2 0.625 75.3 -25.7 -90.9 -17.4 -9.2 -25.7 7.9 36 116 A Q S S+ 0 0 41 143,-0.1 2,-0.3 107,-0.1 -1,-0.2 -0.910 79.6 125.9-172.3-173.7 -6.4 -23.0 8.3 37 117 A G E -B 117 0A 0 80,-2.3 80,-3.1 -2,-0.3 2,-0.4 -0.918 46.6 -75.9 144.0-168.6 -5.0 -20.1 6.4 38 118 A T E -BC 116 178A 0 140,-2.3 140,-3.0 -2,-0.3 2,-0.4 -0.996 23.3-167.2-138.8 139.3 -4.1 -16.4 6.3 39 119 A I E +BC 115 177A 1 76,-2.4 76,-2.5 -2,-0.4 2,-0.4 -0.996 10.3 177.7-126.5 126.2 -6.2 -13.2 5.9 40 120 A I E +BC 114 176A 12 136,-2.1 136,-2.4 -2,-0.4 2,-0.3 -1.000 7.7 173.1-130.4 129.4 -4.5 -9.9 5.2 41 121 A L E -BC 113 175A 0 72,-2.4 72,-2.6 -2,-0.4 2,-0.5 -0.999 26.5-149.9-146.0 144.7 -6.4 -6.6 4.7 42 122 A S E +BC 112 174A 28 132,-2.5 131,-2.1 -2,-0.3 132,-1.4 -0.926 33.9 164.7-104.9 129.6 -5.9 -2.9 4.2 43 123 A Y E -BC 111 172A 2 68,-2.2 68,-2.4 -2,-0.5 2,-0.4 -0.984 33.9-151.5-148.1 161.5 -8.7 -0.7 5.6 44 124 A K E - C 0 171A 59 127,-2.4 127,-2.6 -2,-0.3 2,-0.5 -0.981 21.7-150.0-134.4 110.3 -9.6 2.9 6.6 45 125 A S E + C 0 170A 9 -2,-0.4 125,-0.3 64,-0.4 64,-0.1 -0.755 21.5 173.1 -86.6 128.3 -12.3 3.1 9.3 46 126 A T + 0 0 76 123,-2.8 2,-0.3 -2,-0.5 124,-0.2 0.331 54.0 92.8-112.9 6.8 -14.5 6.2 9.2 47 127 A S - 0 0 5 122,-1.1 122,-0.1 2,-0.1 5,-0.0 -0.703 60.9-153.3-106.8 149.9 -16.8 5.1 12.0 48 128 A E + 0 0 74 -2,-0.3 27,-0.1 120,-0.1 -1,-0.1 0.169 50.7 137.8-100.7 14.0 -16.8 5.7 15.7 49 129 A N - 0 0 52 118,-0.2 26,-0.2 1,-0.1 3,-0.1 -0.381 60.6-123.8 -62.1 138.4 -18.7 2.4 16.4 50 130 A G S S+ 0 0 40 1,-0.2 25,-1.7 24,-0.1 2,-0.4 0.904 92.5 20.3 -46.8 -62.9 -17.2 0.5 19.4 51 131 A I E -G 74 0B 74 23,-0.2 2,-0.5 24,-0.1 23,-0.2 -0.973 69.8-173.1-117.7 129.9 -16.4 -2.8 17.8 52 132 A Q E -G 73 0B 1 21,-3.0 21,-2.4 -2,-0.4 2,-0.3 -0.939 14.8-146.4-129.3 108.7 -16.0 -3.1 14.0 53 133 A S E -G 72 0B 0 113,-2.7 115,-0.3 -2,-0.5 19,-0.3 -0.572 10.1-171.9 -71.1 132.6 -15.6 -6.5 12.2 54 134 A L E S+ 0 0 0 17,-3.0 102,-2.0 1,-0.4 2,-0.3 0.863 73.3 1.3 -88.4 -44.4 -13.4 -6.2 9.2 55 135 A F E +GH 71 155B 0 16,-1.3 16,-2.3 100,-0.2 -1,-0.4 -0.997 69.7 173.8-147.8 141.0 -14.0 -9.7 7.9 56 136 A S E -GH 70 154B 1 98,-2.6 98,-2.7 -2,-0.3 2,-0.3 -0.988 16.8-168.4-150.4 155.3 -16.2 -12.6 9.1 57 137 A V E +GH 69 153B 0 12,-2.3 12,-2.6 -2,-0.3 2,-0.3 -0.987 41.1 100.4-141.8 128.8 -17.4 -16.1 8.1 58 138 A G E -GH 68 152B 2 94,-1.7 93,-2.8 -2,-0.3 94,-1.1 -0.987 68.0 -51.8-178.9-166.2 -20.2 -17.8 10.0 59 139 A N - 0 0 10 8,-2.7 102,-0.4 5,-0.3 8,-0.3 -0.867 33.7-173.3-101.3 110.7 -23.8 -19.0 10.6 60 140 A S + 0 0 25 -2,-0.7 102,-2.1 89,-0.2 103,-0.2 0.487 47.1 114.3 -82.2 -3.5 -26.3 -16.1 10.2 61 141 A T S > S- 0 0 61 88,-0.3 3,-1.9 100,-0.2 100,-0.6 -0.108 77.0 -76.2 -74.5 164.8 -29.3 -18.2 11.4 62 142 A A T 3 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.1 100,-0.0 -0.288 116.0 10.3 -57.0 135.8 -31.6 -17.9 14.4 63 143 A G T 3 S+ 0 0 49 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.413 107.4 92.1 74.3 1.4 -30.1 -19.2 17.6 64 144 A N X + 0 0 36 -3,-1.9 3,-1.8 1,-0.2 -5,-0.3 0.076 39.5 124.4-117.2 31.3 -26.7 -19.5 16.0 65 145 A Q T 3 S+ 0 0 59 1,-0.3 -1,-0.2 95,-0.1 -3,-0.1 0.608 72.4 55.5 -66.1 -15.7 -25.3 -16.1 17.0 66 146 A D T 3 S+ 0 0 41 -3,-0.2 20,-2.3 1,-0.1 2,-0.6 0.144 85.7 93.6-104.1 20.7 -22.3 -17.6 18.7 67 147 A R E < + I 0 85B 48 -3,-1.8 -8,-2.7 -8,-0.3 2,-0.3 -0.810 65.2 84.3-114.8 88.3 -21.2 -19.5 15.6 68 148 A H E -GI 58 84B 0 16,-1.2 16,-3.1 -2,-0.6 2,-0.4 -0.987 58.5-130.9-172.2 167.6 -18.7 -17.4 13.7 69 149 A F E +GI 57 83B 0 -12,-2.6 -12,-2.3 -2,-0.3 2,-0.3 -0.988 33.1 165.5-129.9 135.0 -15.1 -16.3 13.1 70 150 A H E -GI 56 82B 0 12,-1.7 12,-1.6 -2,-0.4 2,-0.5 -0.995 32.4-145.1-154.3 148.9 -14.2 -12.6 12.7 71 151 A I E +GI 55 81B 1 -16,-2.3 -17,-3.0 -2,-0.3 -16,-1.3 -0.970 38.0 174.8-108.5 130.7 -11.2 -10.2 12.7 72 152 A Y E -GI 53 80B 34 8,-2.7 8,-2.3 -2,-0.5 2,-0.3 -0.918 25.8-150.5-139.4 164.7 -12.2 -6.8 14.3 73 153 A I E -GI 52 79B 6 -21,-2.4 -21,-3.0 -2,-0.3 2,-0.3 -0.864 16.4-138.5-128.0 159.8 -10.9 -3.4 15.4 74 154 A T E > -G 51 0B 26 4,-2.1 3,-1.9 -2,-0.3 -23,-0.2 -0.842 27.0-112.8-117.2 161.6 -12.2 -1.1 18.1 75 155 A N T 3 S+ 0 0 36 -25,-1.7 553,-0.4 -2,-0.3 -24,-0.1 0.621 117.2 60.4 -67.6 -10.2 -12.6 2.7 18.1 76 156 A S T 3 S- 0 0 38 -26,-0.3 22,-0.6 553,-0.1 554,-0.5 0.117 125.4 -98.7-100.1 13.8 -9.7 2.8 20.7 77 157 A G S < S+ 0 0 0 -3,-1.9 22,-2.5 1,-0.2 23,-2.0 0.552 76.6 139.9 84.5 5.7 -7.3 1.1 18.3 78 158 A G - 0 0 7 20,-0.2 -4,-2.1 21,-0.2 2,-0.3 -0.431 30.8-165.7 -78.2 161.0 -7.5 -2.4 19.6 79 159 A I E +IJ 73 96B 1 17,-1.4 17,-2.0 -6,-0.2 2,-0.3 -0.992 20.4 129.9-145.8 144.5 -7.5 -5.3 17.2 80 160 A G E -IJ 72 95B 0 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.3 -0.982 37.6-112.0-172.8-175.6 -8.4 -9.0 17.6 81 161 A I E -IJ 71 94B 2 13,-2.7 13,-1.7 -2,-0.3 2,-0.4 -0.959 7.8-161.0-136.4 157.5 -10.2 -12.2 16.7 82 162 A E E -IJ 70 93B 40 -12,-1.6 -12,-1.7 -2,-0.3 2,-0.6 -0.987 5.4-170.3-139.0 121.8 -13.0 -14.4 18.0 83 163 A L E +IJ 69 92B 0 9,-2.8 9,-2.7 -2,-0.4 2,-0.3 -0.964 25.6 170.3-115.6 110.9 -13.3 -18.0 16.7 84 164 A R E +IJ 68 91B 26 -16,-3.1 -16,-1.2 -2,-0.6 7,-0.2 -0.942 40.2 163.1-134.5 149.1 -16.7 -19.4 18.0 85 165 A N E S-I 67 0B 5 5,-1.9 -18,-0.3 1,-0.6 4,-0.2 -0.232 86.3 -58.0-149.6 47.6 -19.1 -22.4 17.7 86 166 A T >> - 0 0 38 -20,-2.3 4,-2.2 3,-0.1 3,-1.6 0.341 63.9 -91.9 75.5 144.1 -21.0 -21.7 21.0 87 167 A D T 34 S+ 0 0 97 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.755 123.2 61.9 -57.5 -27.1 -19.1 -21.6 24.2 88 168 A G T 34 S+ 0 0 81 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.741 114.7 33.2 -71.7 -24.4 -19.6 -25.3 25.0 89 169 A V T <4 S- 0 0 84 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.881 132.5 -37.6 -94.8 -59.4 -17.7 -26.3 21.8 90 170 A F < - 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0 0 8 -23,-2.0 2,-0.3 -26,-0.1 -1,-0.1 -0.834 66.3-147.1-129.6 165.8 -4.0 0.6 15.0 101 181 A R - 0 0 13 -2,-0.3 3,-0.1 1,-0.1 -25,-0.1 -0.831 5.5-155.8-128.3 169.2 -4.8 4.3 14.6 102 182 A A S S+ 0 0 11 1,-0.3 7,-1.8 -2,-0.3 2,-0.4 0.741 74.3 30.7-114.6 -41.1 -7.7 6.1 12.8 103 183 A L E -K 108 0C 32 5,-0.2 2,-0.4 523,-0.1 -1,-0.3 -0.962 53.2-180.0-129.1 138.6 -6.4 9.6 12.1 104 184 A Y E > S-K 107 0C 51 3,-2.5 3,-1.2 -2,-0.4 521,-0.1 -0.975 75.3 -13.1-138.8 121.3 -3.0 11.0 11.3 105 185 A K T 3 S- 0 0 61 519,-0.4 519,-0.1 -2,-0.4 -1,-0.1 0.907 130.7 -46.0 53.7 50.7 -2.4 14.7 10.6 106 186 A G T 3 S+ 0 0 50 517,-0.3 2,-0.4 518,-0.2 -1,-0.3 0.401 120.5 89.2 79.5 -1.7 -6.0 15.6 10.1 107 187 A E E < S-K 104 0C 146 -3,-1.2 -3,-2.5 0, 0.0 2,-0.2 -0.970 79.0-107.4-138.0 145.9 -7.0 12.7 7.9 108 188 A R E -K 103 0C 75 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.503 43.7-161.6 -63.1 128.3 -8.2 9.1 8.1 109 189 A V - 0 0 21 -7,-1.8 -64,-0.4 -2,-0.2 2,-0.2 -0.788 16.7-107.8-117.6 157.4 -5.4 6.7 7.2 110 190 A F - 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