==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-98 2SLI . 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) . 25263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 61.9 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 . 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 98 0, 0.0 5,-0.0 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 117.8 -9.2 -26.1 -1.1 2 82 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 177,-0.2 -0.141 360.0-101.3 -66.3 162.5 -6.6 -24.7 -3.5 3 83 A E S S+ 0 0 166 176,-0.1 2,-0.3 175,-0.1 175,-0.0 -0.698 82.3 6.0 -86.4 135.4 -3.2 -23.4 -2.5 4 84 A G S S+ 0 0 20 -2,-0.4 175,-2.3 2,-0.0 2,-0.5 -0.727 111.0 19.2 102.9-149.8 -2.7 -19.6 -2.3 5 85 A I E +A 178 0A 86 -2,-0.3 173,-0.3 173,-0.2 3,-0.1 -0.499 48.7 175.6 -69.3 112.8 -5.1 -16.8 -2.7 6 86 A L E S+ 0 0 13 171,-3.1 2,-0.3 -2,-0.5 21,-0.3 0.744 71.0 2.4 -86.2 -26.2 -8.7 -17.9 -2.2 7 87 A M E -A 177 0A 7 170,-1.2 170,-2.4 19,-0.1 2,-0.3 -0.985 58.0-178.8-163.2 144.6 -10.2 -14.4 -2.5 8 88 A E E +A 176 0A 78 -2,-0.3 2,-0.3 168,-0.2 168,-0.2 -0.980 4.7 175.3-150.1 139.3 -9.1 -10.8 -3.1 9 89 A K E -A 175 0A 50 166,-1.7 166,-1.9 -2,-0.3 2,-0.3 -0.990 11.0-157.0-144.0 146.4 -11.1 -7.6 -3.3 10 90 A N E +A 174 0A 75 -2,-0.3 164,-0.3 164,-0.2 163,-0.2 -0.948 60.9 1.9-130.4 150.1 -10.0 -3.9 -3.7 11 91 A N E + 0 0 126 162,-2.6 2,-0.6 -2,-0.3 162,-0.2 0.900 68.4 172.3 42.6 68.2 -11.4 -0.5 -2.8 12 92 A V E -A 172 0A 8 160,-2.6 160,-3.0 -3,-0.1 2,-0.5 -0.913 20.1-154.1-108.2 114.8 -14.6 -1.4 -1.1 13 93 A D E -A 171 0A 126 -2,-0.6 2,-0.5 158,-0.2 158,-0.2 -0.787 11.5-162.5 -88.9 125.7 -16.6 1.5 0.5 14 94 A I E -A 170 0A 8 156,-2.9 156,-2.3 -2,-0.5 2,-0.3 -0.947 12.2-140.1-116.3 117.5 -18.7 0.2 3.3 15 95 A A >> - 0 0 65 -2,-0.5 3,-2.6 4,-0.3 4,-0.8 -0.618 44.2 -90.4 -73.9 130.3 -21.6 2.4 4.6 16 96 A E T 34 S+ 0 0 110 -2,-0.3 153,-0.2 1,-0.3 -1,-0.1 -0.127 110.5 8.9 -44.8 123.4 -21.7 2.1 8.4 17 97 A G T 34 S+ 0 0 30 151,-0.9 -1,-0.3 139,-0.3 147,-0.3 0.358 109.9 87.6 85.5 -4.9 -24.0 -0.7 9.5 18 98 A Q T <4 - 0 0 140 -3,-2.6 -2,-0.2 150,-0.3 139,-0.1 0.807 66.9-167.5 -94.6 -34.5 -24.5 -2.1 6.0 19 99 A G < - 0 0 12 -4,-0.8 2,-0.3 149,-0.4 -4,-0.3 -0.193 23.2-102.3 69.9-174.6 -21.5 -4.5 5.7 20 100 A Y E -F 155 0B 81 135,-1.5 135,-2.6 137,-0.1 2,-0.4 -0.928 23.5-130.1-151.4 125.2 -20.6 -6.0 2.3 21 101 A S E +F 154 0B 52 -2,-0.3 133,-0.2 133,-0.2 3,-0.2 -0.637 22.3 176.7 -82.8 130.7 -21.4 -9.5 1.1 22 102 A L > + 0 0 0 131,-2.7 3,-1.4 -2,-0.4 132,-0.1 0.088 52.1 110.9-112.9 16.7 -18.5 -11.6 -0.4 23 103 A D T 3 S+ 0 0 50 130,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.783 73.1 54.0 -63.4 -30.7 -20.8 -14.6 -0.8 24 104 A Q T 3 S+ 0 0 142 -3,-0.2 -1,-0.3 4,-0.1 2,-0.2 0.358 80.5 117.2 -88.1 5.8 -20.8 -14.3 -4.6 25 105 A E S X S- 0 0 42 -3,-1.4 3,-2.0 1,-0.1 4,-0.4 -0.504 76.8-117.9 -71.9 144.8 -17.0 -14.4 -4.9 26 106 A A T 3 S+ 0 0 94 1,-0.3 3,-0.4 -2,-0.2 4,-0.1 0.854 113.1 43.0 -49.9 -40.7 -15.5 -17.4 -6.8 27 107 A G T >> S+ 0 0 5 -21,-0.3 4,-2.4 1,-0.2 3,-1.1 0.319 77.8 106.5 -94.2 11.3 -13.7 -18.6 -3.7 28 108 A A H <> S+ 0 0 4 -3,-2.0 4,-2.9 1,-0.3 -1,-0.2 0.907 78.0 57.6 -55.4 -42.6 -16.4 -18.0 -1.1 29 109 A K H 34 S+ 0 0 141 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.1 0.808 110.6 44.2 -58.1 -30.3 -17.0 -21.8 -0.9 30 110 A Y H X4 S+ 0 0 79 -3,-1.1 3,-1.5 2,-0.2 4,-0.3 0.905 111.8 50.7 -79.9 -45.3 -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 0.900 104.5 59.3 -59.5 -39.2 -13.2 -19.4 2.5 32 112 A K T 3< S+ 0 0 58 -4,-2.9 -1,-0.3 1,-0.2 118,-0.2 0.585 114.2 37.9 -66.9 -8.1 -16.3 -20.8 4.3 33 113 A A T < S+ 0 0 43 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.240 78.4 150.9-130.1 15.9 -14.3 -24.1 4.9 34 114 A M < - 0 0 1 -3,-1.3 111,-2.5 -4,-0.3 112,-0.3 -0.215 28.2-168.7 -56.4 129.8 -10.8 -23.0 5.7 35 115 A T S S- 0 0 82 1,-0.2 2,-0.3 109,-0.2 -1,-0.2 0.629 76.8 -23.9 -90.1 -19.3 -8.9 -25.3 8.0 36 116 A Q S S+ 0 0 42 143,-0.1 2,-0.3 107,-0.1 -1,-0.2 -0.904 79.9 128.4-169.5-173.8 -6.1 -22.7 8.4 37 117 A G E -B 117 0A 0 80,-2.3 80,-3.2 -2,-0.3 2,-0.4 -0.921 45.9 -80.8 145.7-170.9 -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,-0.4 -0.997 23.6-166.8-138.5 137.4 -3.8 -16.0 6.4 39 119 A I E +BC 115 177A 0 76,-2.4 76,-2.5 -2,-0.4 2,-0.4 -0.997 10.1 177.7-125.4 127.0 -5.9 -12.9 6.0 40 120 A I E +BC 114 176A 11 136,-2.3 136,-2.4 -2,-0.4 2,-0.3 -1.000 7.8 172.1-130.0 131.2 -4.3 -9.6 5.3 41 121 A L E -BC 113 175A 0 72,-2.4 72,-2.8 -2,-0.4 2,-0.4 -1.000 27.4-148.5-147.2 148.1 -6.2 -6.4 4.8 42 122 A S E +BC 112 174A 27 132,-2.7 131,-1.6 -2,-0.3 132,-1.4 -0.936 33.7 165.4-107.3 130.3 -5.8 -2.6 4.4 43 123 A Y E -BC 111 172A 2 68,-2.3 68,-2.5 -2,-0.4 2,-0.4 -0.982 32.0-153.1-147.9 161.3 -8.6 -0.5 5.8 44 124 A K E - C 0 171A 59 127,-2.4 127,-2.7 -2,-0.3 2,-0.5 -0.988 21.1-149.2-135.2 113.7 -9.5 3.1 6.7 45 125 A S E + C 0 170A 9 -2,-0.4 125,-0.3 64,-0.4 64,-0.1 -0.786 22.5 173.0 -90.4 131.2 -12.2 3.5 9.4 46 126 A T + 0 0 78 123,-2.4 2,-0.3 -2,-0.5 124,-0.2 0.254 56.0 93.5-114.1 8.4 -14.5 6.5 9.3 47 127 A S - 0 0 4 122,-1.0 122,-0.1 2,-0.1 -2,-0.0 -0.764 60.0-155.3-110.0 148.7 -16.7 5.2 12.1 48 128 A E + 0 0 74 -2,-0.3 27,-0.1 120,-0.1 -1,-0.1 0.222 50.2 136.1 -99.4 10.3 -16.8 5.8 15.8 49 129 A N - 0 0 50 118,-0.2 26,-0.2 1,-0.1 3,-0.1 -0.364 60.7-125.7 -59.9 138.9 -18.6 2.5 16.5 50 130 A G S S+ 0 0 37 1,-0.2 25,-1.6 24,-0.1 2,-0.5 0.906 92.3 24.6 -51.9 -56.7 -17.0 0.7 19.5 51 131 A I E S-G 74 0B 66 23,-0.2 2,-0.5 24,-0.1 23,-0.2 -0.978 70.2-175.3-117.9 126.7 -16.3 -2.7 17.8 52 132 A Q E -G 73 0B 1 21,-3.0 21,-2.3 -2,-0.5 2,-0.3 -0.948 15.6-147.0-128.4 109.3 -15.9 -2.9 14.0 53 133 A S E -G 72 0B 0 113,-2.9 19,-0.3 -2,-0.5 115,-0.3 -0.589 10.0-171.7 -71.5 132.1 -15.4 -6.2 12.3 54 134 A L E S+ 0 0 0 17,-3.1 102,-2.0 1,-0.4 2,-0.3 0.849 73.7 0.6 -88.6 -41.7 -13.2 -5.9 9.2 55 135 A F E S+GH 71 155B 0 16,-1.4 16,-2.3 100,-0.3 -1,-0.4 -0.995 70.3 173.4-149.8 141.7 -13.8 -9.4 7.9 56 136 A S E -GH 70 154B 1 98,-2.5 98,-3.0 -2,-0.3 2,-0.4 -0.994 17.1-167.7-152.8 154.8 -15.9 -12.3 9.2 57 137 A V E +GH 69 153B 0 12,-2.4 12,-2.8 -2,-0.3 2,-0.3 -0.986 41.3 101.1-142.1 126.8 -17.1 -15.8 8.2 58 138 A G E -GH 68 152B 2 94,-1.5 93,-2.9 -2,-0.4 94,-1.0 -0.957 68.0 -52.8-175.6-163.4 -19.9 -17.5 10.1 59 139 A N - 0 0 8 8,-2.8 102,-0.4 5,-0.3 8,-0.3 -0.915 33.7-173.3-104.8 115.8 -23.5 -18.7 10.6 60 140 A S + 0 0 23 -2,-0.6 102,-1.9 89,-0.2 103,-0.1 0.437 47.2 111.3 -88.4 -1.6 -26.1 -15.9 10.3 61 141 A T S > S- 0 0 62 88,-0.2 3,-1.9 100,-0.2 100,-0.6 -0.194 78.4 -73.3 -78.5 165.7 -29.1 -17.8 11.4 62 142 A A T 3 S+ 0 0 81 1,-0.3 -1,-0.2 2,-0.1 100,-0.0 -0.230 116.5 10.2 -56.2 136.7 -31.3 -17.7 14.4 63 143 A G T 3 S+ 0 0 50 -3,-0.1 3,-0.3 1,-0.1 -1,-0.3 0.347 107.4 92.1 75.5 -4.3 -29.8 -19.0 17.6 64 144 A N X + 0 0 37 -3,-1.9 3,-1.9 1,-0.2 -5,-0.3 0.099 40.1 123.2-111.0 29.2 -26.4 -19.3 16.0 65 145 A Q T 3 S+ 0 0 59 1,-0.3 -1,-0.2 -5,-0.1 -3,-0.1 0.553 72.5 55.2 -65.5 -13.2 -25.1 -15.8 17.0 66 146 A D T 3 S+ 0 0 44 -3,-0.3 20,-2.3 1,-0.1 2,-0.6 0.117 86.2 92.3-106.6 19.2 -22.0 -17.4 18.7 67 147 A R E < + I 0 85B 49 -3,-1.9 -8,-2.8 -8,-0.3 2,-0.3 -0.823 65.0 86.5-116.1 90.2 -20.9 -19.3 15.6 68 148 A H E -GI 58 84B 0 16,-1.0 16,-2.8 -2,-0.6 2,-0.4 -0.984 57.9-132.1-172.1 165.8 -18.5 -17.1 13.7 69 149 A F E +GI 57 83B 0 -12,-2.8 -12,-2.4 -2,-0.3 2,-0.3 -0.981 33.5 164.6-127.7 137.1 -14.9 -16.0 13.1 70 150 A H E -GI 56 82B 0 12,-1.8 12,-1.6 -2,-0.4 2,-0.5 -0.994 33.3-144.9-156.0 151.1 -14.0 -12.3 12.7 71 151 A I E +GI 55 81B 1 -16,-2.3 -17,-3.1 -2,-0.3 -16,-1.4 -0.989 37.7 174.0-111.8 126.8 -11.0 -9.9 12.8 72 152 A Y E -GI 53 80B 32 8,-2.4 8,-2.2 -2,-0.5 2,-0.3 -0.850 25.6-151.5-134.7 168.1 -12.1 -6.6 14.3 73 153 A I E -GI 52 79B 5 -21,-2.3 -21,-3.0 -2,-0.3 2,-0.3 -0.875 17.7-136.9-132.0 159.1 -10.7 -3.2 15.4 74 154 A T E > -G 51 0B 21 4,-1.9 3,-2.0 -2,-0.3 -23,-0.2 -0.827 27.0-111.5-116.6 161.4 -12.1 -0.9 18.1 75 155 A N T 3 S+ 0 0 34 -25,-1.6 553,-0.4 -2,-0.3 -25,-0.1 0.627 118.2 59.9 -66.4 -8.3 -12.5 2.9 18.1 76 156 A S T 3 S- 0 0 38 -26,-0.3 554,-0.6 553,-0.1 22,-0.5 0.164 125.1 -97.8-102.9 14.4 -9.7 2.9 20.7 77 157 A G S < S+ 0 0 0 -3,-2.0 22,-2.4 1,-0.3 23,-2.1 0.504 76.8 139.5 86.5 2.9 -7.1 1.3 18.4 78 158 A G - 0 0 6 20,-0.2 -4,-1.9 21,-0.2 2,-0.3 -0.388 30.8-166.3 -76.9 158.8 -7.4 -2.3 19.7 79 159 A I E +IJ 73 96B 1 17,-1.2 17,-2.0 -6,-0.2 2,-0.3 -0.992 20.3 131.7-144.7 143.3 -7.3 -5.2 17.2 80 160 A G E -IJ 72 95B 0 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.3 -0.976 37.4-115.0-170.4-174.8 -8.3 -8.8 17.7 81 161 A I E -IJ 71 94B 2 13,-2.6 13,-1.5 -2,-0.3 2,-0.4 -0.941 7.8-159.5-137.6 157.8 -10.0 -12.0 16.7 82 162 A E E -IJ 70 93B 39 -12,-1.6 -12,-1.8 -2,-0.3 2,-0.5 -0.978 4.9-170.8-139.5 123.6 -12.8 -14.2 18.0 83 163 A L E +IJ 69 92B 0 9,-2.8 9,-2.8 -2,-0.4 2,-0.3 -0.970 26.1 168.1-116.7 108.4 -13.1 -17.8 16.7 84 164 A R E +IJ 68 91B 26 -16,-2.8 -16,-1.0 -2,-0.5 7,-0.2 -0.939 39.4 162.7-133.2 150.8 -16.4 -19.2 18.0 85 165 A N E S-I 67 0B 4 5,-1.9 -18,-0.3 1,-0.5 4,-0.2 -0.224 86.0 -58.0-152.9 46.4 -18.8 -22.1 17.7 86 166 A T >> - 0 0 36 -20,-2.3 4,-2.5 3,-0.1 3,-1.4 0.346 63.5 -91.4 76.2 144.3 -20.7 -21.5 21.0 87 167 A D T 34 S+ 0 0 98 1,-0.3 4,-0.2 2,-0.2 -1,-0.1 0.751 122.9 60.0 -57.2 -29.5 -18.8 -21.5 24.3 88 168 A G T 34 S+ 0 0 81 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.729 116.0 33.5 -71.6 -25.2 -19.3 -25.2 25.0 89 169 A V T <4 S- 0 0 81 -3,-1.4 2,-0.3 1,-0.3 -2,-0.2 0.869 132.6 -39.8 -93.1 -58.8 -17.4 -26.1 21.7 90 170 A F < - 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