==== 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 14-OCT-97 1SLL . COMPND 2 MOLECULE: SIALIDASE L; . 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) . 25152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 61.4 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 . 247 36.4 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 . 63 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 8.2 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 . 4 0.6 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 6 4 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 0 100 0, 0.0 5,-0.0 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 139.1 -9.4 -26.4 -1.2 2 82 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 177,-0.1 -0.088 360.0-105.0 -61.9 158.3 -6.8 -24.8 -3.5 3 83 A E S S+ 0 0 170 176,-0.1 2,-0.3 175,-0.1 175,-0.0 -0.746 81.5 4.2 -86.1 125.2 -3.3 -23.6 -2.5 4 84 A G S S+ 0 0 18 -2,-0.5 175,-2.1 0, 0.0 2,-0.5 -0.823 110.7 18.2 112.4-149.8 -2.8 -19.8 -2.3 5 85 A I E +A 178 0A 83 -2,-0.3 173,-0.3 173,-0.2 3,-0.1 -0.535 49.1 176.3 -70.5 114.9 -5.2 -16.9 -2.6 6 86 A L E S+ 0 0 14 171,-2.9 2,-0.3 -2,-0.5 21,-0.2 0.756 70.2 2.9 -86.9 -28.5 -8.8 -18.0 -2.2 7 87 A M E -A 177 0A 7 170,-1.2 170,-2.3 19,-0.1 2,-0.3 -0.991 57.0-178.7-160.6 147.1 -10.1 -14.5 -2.5 8 88 A E E +A 176 0A 73 -2,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.972 5.0 175.7-152.3 134.4 -9.1 -10.9 -3.0 9 89 A K E -A 175 0A 55 166,-1.8 166,-1.7 -2,-0.3 2,-0.3 -0.990 10.1-161.1-138.8 144.1 -11.1 -7.7 -3.1 10 90 A N E +A 174 0A 74 -2,-0.3 164,-0.3 164,-0.2 163,-0.2 -0.962 59.5 5.8-131.0 150.8 -9.9 -4.1 -3.4 11 91 A N E + 0 0 129 162,-3.1 2,-0.6 -2,-0.3 162,-0.2 0.933 68.7 170.7 47.2 65.6 -11.4 -0.6 -2.7 12 92 A V E -A 172 0A 7 160,-2.7 160,-3.0 -3,-0.1 2,-0.6 -0.916 20.8-155.3-108.2 116.6 -14.6 -1.5 -0.9 13 93 A D E -A 171 0A 124 -2,-0.6 2,-0.5 158,-0.2 158,-0.2 -0.812 11.4-162.5 -91.4 124.1 -16.5 1.4 0.7 14 94 A I E -A 170 0A 9 156,-2.8 156,-2.2 -2,-0.6 2,-0.3 -0.936 12.2-138.4-113.8 120.2 -18.7 0.2 3.5 15 95 A A >> - 0 0 65 -2,-0.5 3,-2.6 4,-0.3 4,-0.8 -0.595 44.7 -87.4 -74.4 135.1 -21.5 2.3 4.8 16 96 A E T 34 S+ 0 0 106 -2,-0.3 153,-0.2 1,-0.3 -1,-0.1 -0.132 111.2 6.0 -46.4 125.3 -21.7 2.2 8.6 17 97 A G T 34 S+ 0 0 28 151,-0.8 -1,-0.3 139,-0.3 147,-0.3 0.411 110.1 88.9 80.4 -1.4 -23.9 -0.7 9.7 18 98 A Q T <4 - 0 0 141 -3,-2.6 -2,-0.2 150,-0.3 139,-0.1 0.804 65.9-166.5 -97.2 -33.4 -24.4 -2.2 6.2 19 99 A G < - 0 0 12 -4,-0.8 -4,-0.3 149,-0.4 2,-0.3 -0.257 22.3-102.2 72.6-173.0 -21.5 -4.6 5.8 20 100 A Y E -F 155 0B 86 135,-1.3 135,-2.7 137,-0.1 2,-0.4 -0.888 23.2-129.3-154.5 123.9 -20.5 -6.1 2.5 21 101 A S E +F 154 0B 57 -2,-0.3 133,-0.2 133,-0.2 3,-0.2 -0.602 22.6 176.4 -80.6 130.2 -21.2 -9.6 1.2 22 102 A L > + 0 0 0 131,-2.8 3,-1.3 -2,-0.4 132,-0.2 0.095 52.9 109.2-112.5 17.1 -18.4 -11.6 -0.3 23 103 A D T 3 S+ 0 0 44 130,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.714 72.8 54.1 -69.1 -22.3 -20.6 -14.6 -0.8 24 104 A Q T 3 S+ 0 0 186 -3,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.353 80.1 117.7 -94.5 7.8 -20.7 -14.4 -4.5 25 105 A E S X S- 0 0 54 -3,-1.3 3,-2.0 1,-0.1 4,-0.4 -0.499 77.7-117.9 -71.0 144.1 -16.9 -14.4 -4.8 26 106 A A T 3 S+ 0 0 85 1,-0.3 3,-0.4 -2,-0.1 -1,-0.1 0.834 113.5 43.5 -51.1 -36.4 -15.6 -17.4 -6.8 27 107 A G T >> S+ 0 0 5 -21,-0.2 4,-2.4 1,-0.2 3,-0.9 0.287 77.6 105.8 -97.3 11.5 -13.7 -18.7 -3.7 28 108 A A H <> S+ 0 0 3 -3,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.891 78.1 58.3 -57.2 -39.7 -16.4 -18.1 -1.0 29 109 A K H 34 S+ 0 0 127 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.1 0.823 110.2 44.1 -59.3 -31.8 -17.0 -21.8 -0.8 30 110 A Y H X4 S+ 0 0 82 -3,-0.9 3,-1.9 2,-0.2 4,-0.4 0.921 111.5 51.5 -78.4 -46.3 -13.3 -22.3 0.0 31 111 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.912 104.1 59.2 -57.8 -39.8 -13.2 -19.4 2.5 32 112 A K T 3< S+ 0 0 57 -4,-2.9 -1,-0.3 1,-0.2 118,-0.2 0.571 114.1 38.0 -67.5 -5.6 -16.3 -20.9 4.3 33 113 A A T < S+ 0 0 46 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.309 77.6 150.1-129.3 10.2 -14.3 -24.1 4.9 34 114 A M < - 0 0 0 -3,-1.3 111,-2.4 -4,-0.4 112,-0.3 -0.138 28.7-167.4 -51.2 131.4 -10.7 -23.0 5.7 35 115 A T S S- 0 0 83 1,-0.3 2,-0.3 109,-0.2 -1,-0.2 0.599 77.3 -22.4 -92.1 -17.9 -8.8 -25.4 8.0 36 116 A Q S S+ 0 0 44 143,-0.1 -1,-0.3 82,-0.1 2,-0.3 -0.906 80.6 130.8-171.2-177.7 -6.1 -22.7 8.5 37 117 A G E -B 117 0A 0 80,-2.3 80,-3.2 -2,-0.3 2,-0.4 -0.923 44.9 -81.9 149.7-174.3 -4.8 -19.7 6.5 38 118 A T E -BC 116 178A 0 140,-2.4 140,-3.1 -2,-0.3 2,-0.5 -0.994 23.8-167.4-134.5 136.5 -3.8 -16.1 6.4 39 119 A I E +BC 115 177A 0 76,-2.5 76,-2.5 -2,-0.4 2,-0.4 -0.994 9.8 177.5-124.8 125.2 -5.9 -12.9 6.1 40 120 A I E +BC 114 176A 16 136,-2.4 136,-2.5 -2,-0.5 2,-0.4 -0.999 6.7 172.2-128.8 131.1 -4.4 -9.6 5.4 41 121 A L E -BC 113 175A 0 72,-2.4 72,-2.7 -2,-0.4 2,-0.5 -1.000 26.6-150.1-146.2 145.3 -6.3 -6.4 4.9 42 122 A S E +BC 112 174A 27 132,-2.4 131,-1.7 -2,-0.4 132,-1.3 -0.926 34.3 166.4-106.7 130.7 -5.7 -2.7 4.5 43 123 A Y E -BC 111 172A 3 68,-2.4 68,-2.5 -2,-0.5 2,-0.4 -0.977 32.9-152.1-147.2 163.3 -8.5 -0.5 5.9 44 124 A K E - C 0 171A 59 127,-2.5 127,-2.7 -2,-0.3 2,-0.5 -0.984 19.7-151.8-136.7 113.4 -9.5 3.0 6.8 45 125 A S E + C 0 170A 8 64,-0.4 125,-0.3 -2,-0.4 64,-0.1 -0.788 21.1 172.5 -92.1 132.6 -12.1 3.4 9.6 46 126 A T + 0 0 76 123,-2.6 2,-0.3 -2,-0.5 124,-0.2 0.227 54.7 93.3-117.3 8.9 -14.3 6.5 9.5 47 127 A S - 0 0 6 122,-1.0 122,-0.1 2,-0.1 5,-0.0 -0.775 60.2-154.2-110.3 150.8 -16.6 5.3 12.3 48 128 A E + 0 0 71 -2,-0.3 27,-0.1 120,-0.1 -1,-0.1 0.240 51.1 135.5 -99.8 7.6 -16.7 5.8 16.0 49 129 A N - 0 0 51 118,-0.1 26,-0.1 1,-0.1 3,-0.1 -0.349 61.8-124.8 -56.7 138.0 -18.6 2.5 16.6 50 130 A G S S+ 0 0 39 1,-0.2 25,-1.9 24,-0.1 2,-0.5 0.914 91.0 24.3 -51.9 -59.3 -16.9 0.8 19.5 51 131 A I E S-G 74 0B 76 23,-0.2 2,-0.5 24,-0.1 23,-0.2 -0.976 70.8-172.6-116.7 125.8 -16.1 -2.6 18.0 52 132 A Q E -G 73 0B 1 21,-3.1 21,-2.5 -2,-0.5 2,-0.4 -0.963 15.0-145.3-125.0 112.7 -15.8 -2.9 14.2 53 133 A S E -G 72 0B 0 113,-3.0 115,-0.3 -2,-0.5 19,-0.3 -0.626 11.3-173.0 -73.8 131.3 -15.4 -6.2 12.4 54 134 A L E S- 0 0 0 17,-3.1 102,-2.3 1,-0.4 2,-0.3 0.884 73.1 -1.2 -89.0 -44.1 -13.1 -5.9 9.4 55 135 A F E +GH 71 155B 0 16,-1.3 16,-2.1 100,-0.3 -1,-0.4 -0.997 69.5 175.0-150.6 138.7 -13.8 -9.5 8.0 56 136 A S E -GH 70 154B 0 98,-2.7 98,-2.9 -2,-0.3 2,-0.4 -0.984 16.5-167.9-146.8 156.6 -15.9 -12.4 9.3 57 137 A V E +GH 69 153B 0 12,-2.4 12,-2.6 -2,-0.3 2,-0.3 -0.984 41.5 101.7-142.9 125.9 -17.0 -15.9 8.3 58 138 A G E -GH 68 152B 2 94,-1.5 93,-2.9 -2,-0.4 94,-1.1 -0.978 67.6 -53.3-176.6-166.9 -19.8 -17.6 10.2 59 139 A N - 0 0 8 8,-2.8 8,-0.4 5,-0.3 102,-0.3 -0.874 33.8-175.9-100.1 115.8 -23.3 -18.8 10.8 60 140 A S + 0 0 23 -2,-0.6 102,-1.9 89,-0.2 103,-0.2 0.481 45.3 114.9 -89.9 -3.0 -25.9 -16.0 10.5 61 141 A T S > S- 0 0 64 88,-0.3 3,-2.0 100,-0.2 100,-0.6 -0.148 77.5 -75.1 -73.5 161.9 -28.9 -18.0 11.5 62 142 A A T 3 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.201 116.5 10.1 -53.1 136.8 -31.2 -17.7 14.5 63 143 A G T 3 S+ 0 0 47 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.424 107.3 92.0 72.2 1.0 -29.7 -19.0 17.8 64 144 A N X + 0 0 37 -3,-2.0 3,-1.9 1,-0.2 -5,-0.3 0.069 39.6 125.4-115.8 28.5 -26.3 -19.3 16.2 65 145 A Q T 3 S+ 0 0 57 1,-0.3 -1,-0.2 95,-0.1 -3,-0.1 0.569 72.2 55.7 -62.4 -14.0 -25.0 -15.8 17.1 66 146 A D T 3 S+ 0 0 41 -3,-0.2 20,-2.1 1,-0.1 2,-0.7 0.113 85.1 92.0-106.3 19.1 -21.9 -17.3 18.8 67 147 A R E < + I 0 85B 48 -3,-1.9 -8,-2.8 -8,-0.4 2,-0.3 -0.854 65.7 86.9-115.7 91.8 -20.8 -19.3 15.8 68 148 A H E -GI 58 84B 0 16,-1.4 16,-3.2 -2,-0.7 2,-0.4 -0.978 58.2-132.2-172.8 166.6 -18.3 -17.2 13.8 69 149 A F E +GI 57 83B 0 -12,-2.6 -12,-2.4 -2,-0.3 2,-0.3 -0.985 33.2 163.8-129.5 136.3 -14.8 -16.0 13.2 70 150 A H E -GI 56 82B 0 12,-1.8 12,-1.7 -2,-0.4 2,-0.5 -0.991 33.4-143.7-155.4 153.1 -13.9 -12.3 12.8 71 151 A I E +GI 55 81B 0 -16,-2.1 -17,-3.1 -2,-0.3 -16,-1.3 -0.983 37.7 174.0-112.6 127.5 -11.0 -9.9 12.9 72 152 A Y E -GI 53 80B 33 8,-2.8 8,-2.3 -2,-0.5 2,-0.3 -0.880 25.0-151.4-136.2 167.3 -12.0 -6.6 14.4 73 153 A I E -GI 52 79B 5 -21,-2.5 -21,-3.1 -2,-0.3 2,-0.3 -0.862 17.5-135.5-130.2 162.4 -10.6 -3.2 15.6 74 154 A T E > -G 51 0B 27 4,-2.0 3,-1.8 -2,-0.3 -23,-0.2 -0.829 26.7-112.4-117.7 162.1 -11.9 -0.9 18.3 75 155 A N T 3 S+ 0 0 33 -25,-1.9 553,-0.4 -2,-0.3 -24,-0.1 0.583 118.4 59.7 -68.6 -6.0 -12.4 2.9 18.2 76 156 A S T 3 S- 0 0 31 -26,-0.3 554,-0.6 553,-0.1 22,-0.5 0.118 125.9 -97.7-105.0 15.0 -9.6 3.0 20.8 77 157 A G S < S+ 0 0 0 -3,-1.8 23,-2.1 1,-0.2 22,-2.1 0.542 76.9 140.5 84.5 5.6 -7.0 1.3 18.5 78 158 A G - 0 0 5 20,-0.2 -4,-2.0 21,-0.2 2,-0.3 -0.400 30.1-166.9 -77.3 161.2 -7.4 -2.2 19.8 79 159 A I E +IJ 73 96B 0 17,-1.1 17,-2.1 -6,-0.2 2,-0.3 -0.993 20.0 129.2-147.9 144.1 -7.3 -5.2 17.4 80 160 A G E -IJ 72 95B 0 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.3 -0.978 37.3-117.9-172.0-172.8 -8.2 -8.8 17.8 81 161 A I E -IJ 71 94B 2 13,-2.5 13,-1.5 -2,-0.3 2,-0.4 -0.940 7.9-156.2-141.5 161.0 -10.1 -11.9 16.7 82 162 A E E -IJ 70 93B 40 -12,-1.7 -12,-1.8 -2,-0.3 2,-0.6 -0.980 4.7-169.6-141.5 125.0 -12.7 -14.2 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 26.7 168.6-118.6 108.7 -13.1 -17.8 16.8 84 164 A R E +IJ 68 91B 27 -16,-3.2 -16,-1.4 -2,-0.6 7,-0.2 -0.930 39.9 163.8-132.7 150.4 -16.3 -19.2 18.1 85 165 A N E S-I 67 0B 5 5,-1.8 -18,-0.3 1,-0.4 4,-0.1 -0.169 85.8 -57.9-150.4 41.8 -18.7 -22.1 17.8 86 166 A T >> - 0 0 37 -20,-2.1 4,-2.3 4,-0.2 3,-1.9 0.376 63.0 -91.5 79.9 139.6 -20.5 -21.4 21.1 87 167 A D T 34 S+ 0 0 100 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.735 122.9 59.5 -51.1 -31.1 -18.6 -21.4 24.4 88 168 A G T 34 S+ 0 0 80 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.703 116.4 33.7 -73.2 -21.0 -19.1 -25.1 25.2 89 169 A V T <4 S- 0 0 84 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.858 132.3 -36.4 -97.2 -60.4 -17.4 -26.0 21.9 90 170 A F < - 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