==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-98 3SLI . 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) . 25311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 61.6 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 . 6 0.9 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 . 64 9.4 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 . 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 0.000 360.0 360.0 360.0 124.3 -9.2 -26.6 -1.1 2 82 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 177,-0.1 -0.210 360.0-103.3 -68.0 161.7 -6.6 -25.2 -3.6 3 83 A E S S+ 0 0 155 176,-0.1 2,-0.3 175,-0.1 175,-0.0 -0.744 81.4 8.9 -88.5 133.0 -3.2 -23.8 -2.5 4 84 A G S S+ 0 0 18 -2,-0.4 175,-2.1 2,-0.0 2,-0.4 -0.746 110.4 17.7 106.7-152.8 -2.7 -20.0 -2.5 5 85 A I E +A 178 0A 82 -2,-0.3 173,-0.3 173,-0.2 3,-0.1 -0.441 48.3 173.6 -66.3 117.3 -5.1 -17.2 -2.9 6 86 A L E S+ 0 0 15 171,-3.1 2,-0.3 -2,-0.4 21,-0.2 0.736 72.1 5.5 -91.2 -28.8 -8.8 -18.3 -2.4 7 87 A M E +A 177 0A 6 170,-1.3 170,-2.6 19,-0.1 -1,-0.3 -0.986 59.4 180.0-159.2 142.5 -10.2 -14.8 -2.6 8 88 A E E +A 176 0A 86 -2,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.990 5.8 174.4-146.9 140.6 -9.0 -11.2 -3.4 9 89 A K E -A 175 0A 47 166,-2.1 166,-2.1 -2,-0.3 2,-0.3 -0.984 10.6-157.0-145.5 153.7 -10.9 -8.0 -3.5 10 90 A N E +A 174 0A 85 -2,-0.3 164,-0.3 164,-0.2 163,-0.1 -0.985 60.2 0.6-141.3 144.9 -9.9 -4.4 -3.9 11 91 A N E + 0 0 112 162,-2.7 2,-0.6 -2,-0.3 162,-0.2 0.903 69.5 173.3 47.0 63.7 -11.2 -0.8 -3.1 12 92 A V E -A 172 0A 7 160,-2.8 160,-3.1 -3,-0.1 2,-0.5 -0.871 19.6-153.6-105.3 115.4 -14.4 -1.8 -1.4 13 93 A D E -A 171 0A 123 -2,-0.6 2,-0.5 158,-0.2 158,-0.2 -0.748 10.7-162.1 -87.8 129.6 -16.4 1.1 0.2 14 94 A I E -A 170 0A 10 156,-3.0 156,-2.2 -2,-0.5 2,-0.3 -0.952 12.0-139.9-119.6 119.1 -18.6 -0.0 3.2 15 95 A A >> - 0 0 63 -2,-0.5 3,-2.6 4,-0.3 4,-0.9 -0.603 44.1 -90.4 -74.2 134.0 -21.5 2.1 4.5 16 96 A E T 34 S+ 0 0 105 -2,-0.3 153,-0.2 1,-0.3 -1,-0.1 -0.202 111.2 7.1 -48.5 122.7 -21.7 2.0 8.3 17 97 A G T 34 S+ 0 0 29 151,-1.0 -1,-0.3 139,-0.3 147,-0.2 0.358 112.3 88.1 84.2 -3.8 -23.9 -0.9 9.4 18 98 A Q T <4 - 0 0 136 -3,-2.6 -2,-0.2 150,-0.3 139,-0.1 0.826 65.1-170.8 -94.3 -37.6 -24.3 -2.3 5.9 19 99 A G < - 0 0 12 -4,-0.9 -4,-0.3 149,-0.4 2,-0.3 -0.191 24.8-100.8 70.2-172.3 -21.4 -4.6 5.5 20 100 A Y E -F 155 0B 86 135,-1.6 135,-2.7 137,-0.1 2,-0.4 -0.914 24.1-130.2-153.9 124.3 -20.5 -6.2 2.2 21 101 A S E +F 154 0B 56 -2,-0.3 133,-0.2 133,-0.2 3,-0.2 -0.616 22.1 176.7 -82.4 129.9 -21.3 -9.8 1.0 22 102 A L > + 0 0 0 131,-2.7 3,-1.3 -2,-0.4 132,-0.1 0.093 51.3 112.0-112.2 16.8 -18.5 -11.9 -0.5 23 103 A D T 3 S+ 0 0 52 130,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.785 73.4 53.7 -61.8 -30.7 -20.8 -14.9 -0.9 24 104 A Q T 3 S+ 0 0 149 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.467 80.0 117.3 -86.2 -2.2 -20.8 -14.7 -4.7 25 105 A E S X S- 0 0 40 -3,-1.3 3,-1.9 1,-0.1 4,-0.4 -0.394 76.0-119.6 -65.3 144.6 -17.0 -14.8 -5.0 26 106 A A T 3 S+ 0 0 89 1,-0.3 3,-0.4 2,-0.1 4,-0.1 0.843 113.0 45.0 -53.4 -36.2 -15.7 -17.9 -6.9 27 107 A G T >> S+ 0 0 5 -21,-0.2 4,-2.4 1,-0.2 3,-1.1 0.370 78.8 103.7 -93.7 7.0 -13.7 -18.9 -3.8 28 108 A A H <> S+ 0 0 3 -3,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.901 78.2 57.6 -54.7 -42.8 -16.4 -18.4 -1.2 29 109 A K H 34 S+ 0 0 140 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.803 110.8 43.8 -58.5 -30.2 -17.0 -22.2 -1.0 30 110 A Y H X4 S+ 0 0 82 -3,-1.1 3,-1.5 2,-0.2 -1,-0.2 0.895 111.6 51.6 -81.0 -42.6 -13.3 -22.6 -0.1 31 111 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.893 103.6 59.4 -61.5 -37.4 -13.2 -19.8 2.4 32 112 A K T 3< S+ 0 0 58 -4,-2.8 -1,-0.3 1,-0.2 118,-0.2 0.560 113.8 38.3 -69.4 -6.0 -16.3 -21.1 4.2 33 113 A A T < S+ 0 0 44 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.206 78.4 151.9-130.9 17.9 -14.3 -24.4 4.8 34 114 A M < - 0 0 1 -3,-1.3 111,-2.6 -4,-0.2 112,-0.3 -0.219 28.1-168.4 -56.3 129.2 -10.7 -23.2 5.6 35 115 A T S S- 0 0 83 1,-0.2 2,-0.3 109,-0.2 -1,-0.2 0.605 76.8 -26.0 -90.8 -16.1 -8.8 -25.6 7.9 36 116 A Q S S+ 0 0 42 143,-0.1 2,-0.3 82,-0.1 -1,-0.2 -0.898 79.3 132.1-172.7-171.1 -6.1 -22.9 8.3 37 117 A G E -B 117 0A 0 80,-2.4 80,-3.2 -2,-0.3 2,-0.3 -0.916 44.5 -82.8 145.4-169.8 -4.8 -20.0 6.3 38 118 A T E -BC 116 178A 0 140,-2.3 140,-3.0 -2,-0.3 2,-0.4 -1.000 24.0-166.6-142.0 136.2 -3.8 -16.3 6.2 39 119 A I E +BC 115 177A 0 76,-2.5 76,-2.4 -2,-0.3 2,-0.4 -0.994 9.3 178.1-125.5 128.9 -5.8 -13.1 5.8 40 120 A I E +BC 114 176A 20 136,-2.2 136,-2.2 -2,-0.4 2,-0.3 -0.999 7.9 170.0-132.1 130.4 -4.3 -9.8 5.0 41 121 A L E -BC 113 175A 1 72,-2.4 72,-2.8 -2,-0.4 2,-0.4 -0.998 27.9-147.2-146.7 149.7 -6.1 -6.6 4.5 42 122 A S E +BC 112 174A 26 132,-2.5 131,-1.6 -2,-0.3 132,-1.5 -0.938 33.6 167.2-108.6 131.1 -5.7 -2.9 4.1 43 123 A Y E -BC 111 172A 3 68,-2.3 68,-2.4 -2,-0.4 2,-0.4 -0.974 31.3-153.1-145.9 163.1 -8.5 -0.7 5.6 44 124 A K E - C 0 171A 60 127,-2.4 127,-2.6 -2,-0.3 2,-0.5 -0.978 20.6-149.1-137.2 112.9 -9.5 2.9 6.5 45 125 A S E + C 0 170A 11 64,-0.4 125,-0.3 -2,-0.4 64,-0.1 -0.767 23.7 170.6 -89.6 129.1 -12.1 3.3 9.2 46 126 A T + 0 0 80 123,-2.7 2,-0.3 -2,-0.5 124,-0.2 0.272 54.8 96.4-113.1 5.9 -14.4 6.3 9.1 47 127 A S - 0 0 4 122,-1.1 122,-0.1 1,-0.1 -2,-0.0 -0.702 59.6-155.9-102.2 151.9 -16.7 5.0 11.8 48 128 A E + 0 0 77 -2,-0.3 27,-0.1 120,-0.1 -1,-0.1 0.212 50.7 134.8-105.6 11.4 -16.7 5.7 15.6 49 129 A N - 0 0 51 118,-0.2 26,-0.3 1,-0.1 3,-0.1 -0.354 61.4-124.5 -62.4 142.7 -18.4 2.4 16.4 50 130 A G S S+ 0 0 39 1,-0.2 25,-1.6 24,-0.2 2,-0.4 0.921 92.7 23.1 -53.5 -58.5 -16.9 0.6 19.3 51 131 A I E -G 74 0B 65 23,-0.2 2,-0.4 24,-0.1 23,-0.2 -0.971 70.0-173.7-117.7 130.8 -16.2 -2.8 17.7 52 132 A Q E -G 73 0B 1 21,-3.0 21,-2.3 -2,-0.4 2,-0.3 -0.939 14.8-146.6-131.6 107.3 -15.7 -3.0 13.9 53 133 A S E -G 72 0B 0 113,-2.8 19,-0.3 -2,-0.4 115,-0.3 -0.547 10.7-172.9 -70.1 133.4 -15.3 -6.4 12.1 54 134 A L E S+ 0 0 0 17,-3.3 102,-1.9 1,-0.4 2,-0.3 0.841 73.7 0.9 -91.3 -43.9 -13.1 -6.1 9.1 55 135 A F E S+GH 71 155B 0 16,-1.3 16,-2.3 100,-0.3 -1,-0.4 -0.995 70.8 173.0-148.7 138.9 -13.7 -9.6 7.7 56 136 A S E -GH 70 154B 0 98,-2.7 98,-2.9 -2,-0.3 2,-0.4 -0.990 16.9-169.3-149.6 156.3 -15.8 -12.5 9.0 57 137 A V E +GH 69 153B 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.3 -0.984 40.5 101.0-144.1 127.2 -17.1 -16.0 8.1 58 138 A G E -GH 68 152B 2 94,-1.5 93,-2.9 -2,-0.4 94,-1.0 -0.968 67.9 -51.6-176.8-164.1 -19.8 -17.7 10.0 59 139 A N - 0 0 10 8,-2.7 102,-0.4 5,-0.3 8,-0.3 -0.898 34.0-173.1-103.2 115.3 -23.4 -18.8 10.6 60 140 A S + 0 0 24 -2,-0.6 102,-2.0 89,-0.2 103,-0.2 0.472 46.7 112.9 -86.5 -4.2 -26.0 -16.0 10.2 61 141 A T S > S- 0 0 64 88,-0.3 3,-2.1 100,-0.2 100,-0.6 -0.209 77.5 -77.6 -76.7 162.0 -29.0 -18.0 11.4 62 142 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.213 116.3 13.2 -54.5 136.4 -31.2 -17.7 14.5 63 143 A G T 3 S+ 0 0 48 -3,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.344 107.9 89.7 77.1 -4.7 -29.7 -19.1 17.6 64 144 A N X + 0 0 36 -3,-2.1 3,-1.8 1,-0.2 -5,-0.3 0.098 41.1 123.0-113.0 28.9 -26.3 -19.3 16.0 65 145 A Q T 3 S+ 0 0 58 1,-0.3 -1,-0.2 -5,-0.1 -3,-0.1 0.555 72.8 55.9 -64.9 -13.5 -25.0 -15.9 16.9 66 146 A D T 3 S+ 0 0 42 -3,-0.2 20,-2.3 1,-0.1 2,-0.6 0.111 86.1 91.5-105.6 20.0 -21.9 -17.4 18.7 67 147 A R E < + I 0 85B 48 -3,-1.8 -8,-2.7 -8,-0.3 2,-0.3 -0.849 65.4 85.7-117.6 92.7 -20.8 -19.4 15.6 68 148 A H E -GI 58 84B 0 16,-1.3 16,-3.2 -2,-0.6 2,-0.4 -0.979 58.4-130.8-174.0 167.1 -18.4 -17.3 13.6 69 149 A F E +GI 57 83B 0 -12,-2.5 -12,-2.3 -2,-0.3 2,-0.3 -0.990 33.1 166.3-129.9 136.3 -14.8 -16.1 13.0 70 150 A H E -GI 56 82B 0 12,-1.8 12,-1.5 -2,-0.4 2,-0.5 -0.996 32.5-145.2-154.5 149.2 -13.9 -12.5 12.6 71 151 A I E +GI 55 81B 0 -16,-2.3 -17,-3.3 -2,-0.3 -16,-1.3 -0.982 38.3 174.0-109.6 128.4 -10.9 -10.1 12.6 72 152 A Y E -GI 53 80B 31 8,-2.8 8,-2.2 -2,-0.5 2,-0.3 -0.879 26.3-152.4-136.7 166.9 -11.9 -6.7 14.1 73 153 A I E -GI 52 79B 5 -21,-2.3 -21,-3.0 -2,-0.3 2,-0.3 -0.856 18.0-137.4-130.5 161.6 -10.6 -3.3 15.2 74 154 A T E > -G 51 0B 21 4,-1.9 3,-2.1 -2,-0.3 -23,-0.2 -0.872 26.4-112.0-120.4 160.8 -11.9 -1.0 18.0 75 155 A N T 3 S+ 0 0 34 -25,-1.6 553,-0.4 -2,-0.3 -25,-0.1 0.614 118.3 58.8 -66.6 -8.5 -12.4 2.8 18.0 76 156 A S T 3 S- 0 0 38 -26,-0.3 554,-0.6 553,-0.1 22,-0.5 0.124 126.2 -97.9-103.9 15.9 -9.6 2.9 20.6 77 157 A G S < S+ 0 0 0 -3,-2.1 22,-2.8 1,-0.2 23,-2.2 0.540 75.7 141.4 83.5 7.2 -7.1 1.3 18.3 78 158 A G - 0 0 6 20,-0.2 -4,-1.9 21,-0.2 2,-0.3 -0.399 30.3-164.2 -79.0 159.2 -7.3 -2.3 19.5 79 159 A I E +IJ 73 96B 1 17,-1.3 17,-2.1 -6,-0.2 2,-0.3 -0.993 21.8 129.1-142.4 144.0 -7.2 -5.3 17.1 80 160 A G E -IJ 72 95B 0 -8,-2.2 -8,-2.8 -2,-0.3 2,-0.3 -0.981 37.6-118.6-172.5-175.5 -8.2 -8.9 17.5 81 161 A I E -IJ 71 94B 2 13,-2.4 13,-1.5 -2,-0.3 2,-0.4 -0.922 7.6-158.3-138.0 162.3 -10.0 -12.0 16.5 82 162 A E E -IJ 70 93B 38 -12,-1.5 -12,-1.8 -2,-0.3 2,-0.6 -0.964 4.5-167.7-144.0 124.7 -12.7 -14.3 17.9 83 163 A L E +IJ 69 92B 0 9,-2.6 9,-2.7 -2,-0.4 2,-0.3 -0.972 26.6 171.7-117.0 109.0 -13.0 -17.9 16.6 84 164 A R E +IJ 68 91B 26 -16,-3.2 -16,-1.3 -2,-0.6 7,-0.2 -0.936 40.2 160.3-131.7 148.5 -16.3 -19.2 17.9 85 165 A N E S-I 67 0B 4 5,-2.0 -18,-0.3 1,-0.5 4,-0.2 -0.182 85.9 -58.7-151.1 43.3 -18.7 -22.2 17.6 86 166 A T >> - 0 0 34 -20,-2.3 4,-2.6 4,-0.2 3,-1.5 0.330 61.3 -91.8 79.0 143.1 -20.5 -21.5 20.9 87 167 A D T 34 S+ 0 0 101 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.735 123.5 60.4 -55.8 -26.7 -18.7 -21.4 24.3 88 168 A G T 34 S+ 0 0 80 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.749 116.1 31.8 -74.0 -25.2 -19.3 -25.1 24.9 89 169 A V T <4 S- 0 0 84 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.868 132.8 -39.4 -95.4 -56.1 -17.4 -26.1 21.7 90 170 A F < - 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