==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENZYME 04-OCT-98 4SLI . COMPND 2 MOLECULE: INTRAMOLECULAR TRANS-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MACROBDELLA DECORA; . AUTHOR Y.LUO,S.C.LI,Y.T.LI,M.LUO . 679 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 61.3 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 . 61 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 99 0, 0.0 5,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 119.3 -9.4 -26.5 -1.3 2 82 A P - 0 0 65 0, 0.0 2,-0.4 0, 0.0 177,-0.2 -0.213 360.0-100.3 -68.8 161.2 -6.7 -25.3 -3.6 3 83 A E S S+ 0 0 165 176,-0.1 2,-0.3 175,-0.1 175,-0.0 -0.714 84.2 9.2 -84.5 130.1 -3.2 -24.0 -2.5 4 84 A G S S+ 0 0 18 -2,-0.4 175,-2.3 2,-0.0 2,-0.5 -0.807 109.6 17.2 111.1-150.0 -2.8 -20.2 -2.4 5 85 A I E +A 178 0A 84 -2,-0.3 173,-0.3 173,-0.2 3,-0.1 -0.534 47.3 175.8 -70.9 116.8 -5.2 -17.3 -2.8 6 86 A L E S+ 0 0 15 171,-2.8 2,-0.3 -2,-0.5 21,-0.3 0.740 70.5 2.6 -89.3 -26.5 -8.8 -18.4 -2.4 7 87 A M E -A 177 0A 7 170,-1.2 170,-2.3 19,-0.1 2,-0.3 -0.989 57.0-179.3-161.9 147.3 -10.2 -14.8 -2.7 8 88 A E E +A 176 0A 70 -2,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.973 4.9 175.7-152.3 139.4 -9.1 -11.2 -3.3 9 89 A K E -A 175 0A 50 166,-1.6 166,-1.6 -2,-0.3 2,-0.3 -0.993 11.0-156.9-145.9 143.3 -11.1 -8.0 -3.4 10 90 A N E +A 174 0A 82 -2,-0.3 164,-0.2 164,-0.2 163,-0.2 -0.927 60.7 3.0-127.8 151.7 -9.9 -4.3 -3.8 11 91 A N E + 0 0 130 162,-2.6 2,-0.7 -2,-0.3 162,-0.2 0.890 69.0 172.5 43.5 65.7 -11.3 -0.9 -3.0 12 92 A V E -A 172 0A 6 160,-2.7 160,-2.9 -3,-0.1 2,-0.4 -0.884 19.2-155.8-107.4 110.3 -14.5 -1.8 -1.3 13 93 A D E -A 171 0A 124 -2,-0.7 2,-0.5 158,-0.2 158,-0.2 -0.723 10.8-161.6 -83.9 130.4 -16.4 1.1 0.3 14 94 A I E -A 170 0A 9 156,-3.1 156,-2.3 -2,-0.4 2,-0.3 -0.959 12.3-138.0-120.5 120.2 -18.7 -0.0 3.2 15 95 A A >> - 0 0 65 -2,-0.5 3,-2.8 4,-0.3 4,-0.8 -0.589 44.9 -88.9 -74.1 133.3 -21.5 2.1 4.5 16 96 A E T 34 S+ 0 0 110 -2,-0.3 153,-0.2 1,-0.3 -1,-0.1 -0.167 111.9 5.3 -45.6 123.6 -21.7 2.0 8.3 17 97 A G T 34 S+ 0 0 31 151,-1.0 -1,-0.3 139,-0.3 147,-0.2 0.380 110.6 92.5 80.7 -3.3 -23.9 -0.9 9.4 18 98 A Q T <4 - 0 0 139 -3,-2.8 -2,-0.2 150,-0.3 139,-0.1 0.843 64.5-168.3 -89.5 -39.9 -24.3 -2.2 5.9 19 99 A G < - 0 0 12 -4,-0.8 -4,-0.3 149,-0.4 2,-0.3 -0.175 21.9-104.5 72.9-178.2 -21.5 -4.7 5.5 20 100 A Y E -F 155 0B 82 135,-1.6 135,-2.7 137,-0.1 2,-0.4 -0.918 22.7-131.5-151.2 123.1 -20.5 -6.3 2.2 21 101 A S E +F 154 0B 54 -2,-0.3 133,-0.2 133,-0.2 3,-0.2 -0.620 21.6 177.4 -81.7 129.2 -21.3 -9.8 1.0 22 102 A L > + 0 0 0 131,-2.7 3,-1.5 -2,-0.4 6,-0.2 0.129 51.3 112.2-110.4 16.1 -18.5 -11.9 -0.5 23 103 A D T 3 S+ 0 0 53 130,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.767 73.3 52.4 -61.6 -31.7 -20.9 -14.9 -1.0 24 104 A Q T 3 S+ 0 0 143 -3,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.323 80.7 118.3 -90.2 9.6 -20.8 -14.8 -4.8 25 105 A E S X S- 0 0 44 -3,-1.5 3,-1.9 1,-0.1 4,-0.4 -0.523 76.6-117.7 -72.7 144.6 -17.0 -14.8 -5.0 26 106 A A T 3 S+ 0 0 92 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.843 112.5 43.4 -51.7 -37.8 -15.6 -17.8 -6.9 27 107 A G T >> S+ 0 0 5 -21,-0.3 4,-2.4 1,-0.2 3,-1.2 0.356 77.7 105.9 -95.1 8.6 -13.7 -19.0 -3.8 28 108 A A H <> S+ 0 0 4 -3,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.869 77.7 58.5 -54.8 -39.2 -16.4 -18.5 -1.1 29 109 A K H 34 S+ 0 0 143 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.815 110.9 42.3 -60.9 -30.3 -17.0 -22.3 -1.0 30 110 A Y H X4 S+ 0 0 81 -3,-1.2 3,-1.5 2,-0.2 4,-0.3 0.896 111.9 52.5 -81.5 -44.0 -13.4 -22.8 -0.1 31 111 A V H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.898 104.7 57.4 -59.0 -39.0 -13.2 -19.9 2.4 32 112 A K T 3< S+ 0 0 58 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.588 113.8 40.0 -69.3 -7.6 -16.3 -21.2 4.2 33 113 A A T < S+ 0 0 41 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.259 79.2 150.3-125.5 11.5 -14.4 -24.5 4.8 34 114 A M < - 0 0 2 -3,-1.2 111,-2.7 -4,-0.3 112,-0.3 -0.174 28.5-169.7 -52.5 130.5 -10.9 -23.4 5.6 35 115 A T S S- 0 0 84 1,-0.3 2,-0.3 109,-0.2 -1,-0.2 0.592 75.9 -25.6 -93.4 -16.6 -9.0 -25.7 7.9 36 116 A Q S S+ 0 0 42 143,-0.1 2,-0.3 82,-0.1 -1,-0.3 -0.911 79.4 128.6-174.1-175.2 -6.2 -23.1 8.4 37 117 A G E -B 117 0A 0 80,-2.4 80,-3.2 -2,-0.3 2,-0.4 -0.923 46.1 -79.4 145.6-171.0 -4.8 -20.1 6.4 38 118 A T E -BC 116 178A 0 140,-2.2 140,-3.1 -2,-0.3 2,-0.4 -0.997 24.1-166.4-137.1 137.4 -3.9 -16.4 6.3 39 119 A I E +BC 115 177A 0 76,-2.5 76,-2.4 -2,-0.4 2,-0.4 -0.995 9.9 179.2-124.4 127.3 -6.0 -13.3 5.9 40 120 A I E +BC 114 176A 17 136,-2.3 136,-2.3 -2,-0.4 2,-0.3 -0.998 7.4 172.7-129.4 131.0 -4.3 -9.9 5.2 41 121 A L E -BC 113 175A 1 72,-2.3 72,-2.7 -2,-0.4 2,-0.4 -0.999 26.9-149.7-146.8 147.7 -6.2 -6.7 4.7 42 122 A S E +BC 112 174A 28 132,-2.6 131,-1.7 -2,-0.3 132,-1.3 -0.931 33.6 166.3-107.5 129.3 -5.7 -2.9 4.3 43 123 A Y E -BC 111 172A 3 68,-2.3 68,-2.4 -2,-0.4 2,-0.4 -0.987 32.4-153.3-147.3 161.0 -8.5 -0.7 5.7 44 124 A K E - C 0 171A 59 127,-2.5 127,-2.6 -2,-0.3 2,-0.4 -0.982 21.1-150.0-135.6 112.4 -9.5 2.8 6.6 45 125 A S E + C 0 170A 11 -2,-0.4 125,-0.3 64,-0.4 64,-0.1 -0.751 22.2 172.3 -88.6 128.8 -12.1 3.2 9.3 46 126 A T + 0 0 78 123,-2.7 2,-0.3 -2,-0.4 124,-0.2 0.259 55.1 92.9-114.0 8.5 -14.4 6.3 9.2 47 127 A S - 0 0 5 122,-1.0 122,-0.1 2,-0.1 -2,-0.0 -0.737 61.2-153.1-108.2 152.3 -16.7 5.1 12.0 48 128 A E + 0 0 76 -2,-0.3 27,-0.1 120,-0.1 -1,-0.1 0.180 51.0 137.3-102.5 12.6 -16.7 5.7 15.7 49 129 A N - 0 0 51 118,-0.2 26,-0.2 1,-0.1 3,-0.1 -0.350 59.6-126.1 -61.0 140.6 -18.5 2.4 16.4 50 130 A G S S+ 0 0 38 1,-0.2 25,-1.5 24,-0.2 2,-0.5 0.929 92.2 22.6 -52.6 -58.5 -17.0 0.5 19.4 51 131 A I E S-G 74 0B 67 23,-0.2 2,-0.5 24,-0.1 23,-0.2 -0.971 70.7-173.8-117.2 129.6 -16.2 -2.9 17.8 52 132 A Q E -G 73 0B 1 21,-3.2 21,-2.2 -2,-0.5 2,-0.3 -0.936 15.2-145.9-130.8 107.0 -15.8 -3.1 14.0 53 133 A S E -G 72 0B 0 113,-2.8 115,-0.3 -2,-0.5 19,-0.3 -0.555 10.9-172.6 -69.3 132.0 -15.4 -6.4 12.2 54 134 A L E S- 0 0 0 17,-3.2 102,-1.7 1,-0.4 2,-0.3 0.847 73.0 -0.4 -88.9 -42.9 -13.2 -6.1 9.2 55 135 A F E +GH 71 155B 0 16,-1.4 16,-2.3 100,-0.2 -1,-0.4 -0.995 69.5 172.6-151.5 141.2 -13.8 -9.7 7.9 56 136 A S E -GH 70 154B 1 98,-2.6 98,-2.9 -2,-0.3 2,-0.3 -0.985 17.1-167.8-151.2 157.9 -15.9 -12.6 9.0 57 137 A V E +GH 69 153B 0 12,-2.2 12,-2.5 -2,-0.3 2,-0.3 -0.979 41.3 100.2-144.8 128.0 -17.2 -16.1 8.1 58 138 A G E -GH 68 152B 1 94,-1.5 93,-2.9 -2,-0.3 94,-1.0 -0.970 68.5 -50.1-178.1-163.9 -20.0 -17.8 10.0 59 139 A N - 0 0 8 8,-2.8 102,-0.4 5,-0.3 8,-0.3 -0.893 34.6-174.2-103.1 112.1 -23.6 -18.9 10.6 60 140 A S + 0 0 25 -2,-0.6 102,-2.1 89,-0.2 103,-0.2 0.465 47.2 112.3 -83.5 -4.5 -26.1 -16.1 10.2 61 141 A T S > S- 0 0 63 88,-0.2 3,-2.0 100,-0.2 100,-0.6 -0.159 77.7 -73.3 -76.2 163.9 -29.1 -18.0 11.3 62 142 A A T 3 S+ 0 0 80 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.215 116.4 8.8 -54.8 135.0 -31.4 -17.8 14.3 63 143 A G T 3 S+ 0 0 50 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.413 108.2 92.6 73.5 0.5 -29.9 -19.1 17.5 64 144 A N X + 0 0 36 -3,-2.0 3,-1.8 1,-0.2 -5,-0.3 0.100 39.7 123.1-113.9 27.3 -26.5 -19.4 15.9 65 145 A Q T 3 S+ 0 0 57 1,-0.3 -1,-0.2 -5,-0.1 -3,-0.1 0.569 72.0 55.6 -64.2 -14.3 -25.1 -16.0 16.8 66 146 A D T 3 S+ 0 0 46 -3,-0.2 20,-2.4 1,-0.1 2,-0.6 0.097 85.9 92.4-105.4 20.6 -22.1 -17.5 18.6 67 147 A R E < + I 0 85B 49 -3,-1.8 -8,-2.8 -8,-0.3 2,-0.3 -0.831 65.5 85.5-116.0 90.7 -21.0 -19.5 15.5 68 148 A H E -GI 58 84B 0 16,-1.2 16,-3.0 -2,-0.6 2,-0.4 -0.984 58.9-130.5-173.0 167.4 -18.5 -17.4 13.6 69 149 A F E +GI 57 83B 0 -12,-2.5 -12,-2.2 -2,-0.3 2,-0.3 -0.990 33.4 166.4-129.7 135.2 -14.9 -16.2 13.0 70 150 A H E -GI 56 82B 0 12,-2.0 12,-1.6 -2,-0.4 2,-0.5 -0.998 32.8-145.3-153.6 150.9 -14.0 -12.6 12.7 71 151 A I E +GI 55 81B 0 -16,-2.3 -17,-3.2 -2,-0.3 -16,-1.4 -0.980 38.2 173.5-110.6 126.7 -11.1 -10.1 12.7 72 152 A Y E -GI 53 80B 33 8,-2.5 8,-2.2 -2,-0.5 2,-0.3 -0.887 25.8-151.7-135.8 167.0 -12.0 -6.8 14.2 73 153 A I E -GI 52 79B 6 -21,-2.2 -21,-3.2 -2,-0.3 2,-0.3 -0.861 16.7-137.5-130.7 160.5 -10.7 -3.4 15.4 74 154 A T E > -G 51 0B 22 4,-1.8 3,-1.9 -2,-0.3 -23,-0.2 -0.836 27.3-112.0-118.3 160.6 -12.0 -1.1 18.1 75 155 A N T 3 S+ 0 0 35 -25,-1.5 553,-0.4 -2,-0.3 -25,-0.1 0.627 118.0 59.6 -66.4 -8.9 -12.4 2.7 18.1 76 156 A S T 3 S- 0 0 39 -26,-0.3 554,-0.6 553,-0.1 22,-0.5 0.172 125.5 -97.8-102.4 13.5 -9.6 2.8 20.7 77 157 A G S < S+ 0 0 0 -3,-1.9 22,-2.8 1,-0.2 23,-1.9 0.540 75.7 140.6 85.3 8.2 -7.1 1.1 18.4 78 158 A G - 0 0 6 20,-0.2 -4,-1.8 21,-0.2 2,-0.3 -0.402 30.4-164.8 -79.7 160.4 -7.4 -2.4 19.6 79 159 A I E +IJ 73 96B 1 17,-1.3 17,-2.0 -6,-0.2 2,-0.3 -0.988 21.5 129.3-142.9 146.9 -7.3 -5.4 17.2 80 160 A G E -IJ 72 95B 0 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.3 -0.989 37.6-115.5-175.0-175.6 -8.2 -9.0 17.6 81 161 A I E -IJ 71 94B 2 13,-2.6 13,-1.6 -2,-0.3 2,-0.4 -0.948 7.3-159.4-138.9 159.2 -10.1 -12.2 16.6 82 162 A E E -IJ 70 93B 39 -12,-1.6 -12,-2.0 -2,-0.3 2,-0.5 -0.982 5.1-170.1-140.0 125.6 -12.8 -14.4 17.9 83 163 A L E +IJ 69 92B 2 9,-2.7 9,-2.7 -2,-0.4 2,-0.3 -0.969 26.3 168.6-119.1 109.4 -13.2 -18.0 16.7 84 164 A R E +IJ 68 91B 24 -16,-3.0 -16,-1.2 -2,-0.5 7,-0.2 -0.948 40.0 164.0-134.3 150.6 -16.5 -19.4 18.0 85 165 A N E S-I 67 0B 4 5,-1.9 -18,-0.3 1,-0.6 4,-0.2 -0.262 86.2 -57.1-151.4 47.8 -18.9 -22.3 17.6 86 166 A T >> - 0 0 38 -20,-2.4 4,-2.3 3,-0.1 3,-1.5 0.346 63.8 -92.4 75.7 142.8 -20.8 -21.7 20.9 87 167 A D T 34 S+ 0 0 99 1,-0.3 4,-0.1 2,-0.2 -1,-0.1 0.765 123.1 60.1 -56.2 -30.3 -18.9 -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 0.710 115.5 34.1 -71.7 -22.7 -19.5 -25.3 25.0 89 169 A V T <4 S- 0 0 83 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.870 132.7 -39.9 -94.1 -61.0 -17.7 -26.3 21.7 90 170 A F < - 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