==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-05 2A75 . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA RANGELI; . AUTHOR M.F.AMAYA,P.M.ALZARI,A.BUSCHIAZZO . 632 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 241 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 0.2 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 . 59 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 9 2 3 8 5 2 7 1 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 0 2 1 1 0 0 0 1 0 0 0 0 0 0 1 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 -2 A M 0 0 69 0, 0.0 339,-0.3 0, 0.0 340,-0.1 0.000 360.0 360.0 360.0-132.5 22.9 5.6 64.1 2 -1 A A + 0 0 50 337,-0.1 2,-0.3 1,-0.0 338,-0.3 -0.297 360.0 156.0 -52.3 150.4 23.0 4.0 60.6 3 0 A S - 0 0 42 336,-0.1 336,-0.2 334,-0.1 333,-0.1 -0.991 39.4 -30.4-170.1 175.4 24.4 0.4 61.3 4 1 A L S S- 0 0 30 334,-1.1 333,-0.1 -2,-0.3 3,-0.1 -0.109 77.5-110.7 -38.0 122.4 25.0 -3.3 60.7 5 2 A A > - 0 0 23 1,-0.1 3,-2.9 4,-0.1 372,-0.4 -0.218 26.9 -91.9 -72.0 148.0 21.9 -4.3 58.8 6 3 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.290 118.6 36.4 -51.8 139.8 19.0 -6.5 60.0 7 4 A G T 3 S+ 0 0 58 1,-0.4 2,-0.1 369,-0.1 369,-0.1 -0.032 103.2 94.4 103.6 -27.9 19.9 -10.0 58.9 8 5 A S < + 0 0 20 -3,-2.9 -1,-0.4 368,-0.1 2,-0.3 -0.421 46.4 166.2 -94.7 167.3 23.6 -9.4 59.6 9 6 A S E -A 374 0A 61 365,-1.2 365,-2.9 -2,-0.1 2,-0.3 -0.965 13.5-153.5-166.3 175.1 25.7 -10.2 62.7 10 7 A R E -A 373 0A 65 -2,-0.3 2,-0.3 363,-0.2 363,-0.2 -0.980 7.3-143.0-156.5 165.3 29.2 -10.6 64.0 11 8 A V E -A 372 0A 82 361,-1.9 361,-2.9 -2,-0.3 2,-1.7 -0.962 32.2-113.2-131.0 151.3 31.5 -12.2 66.5 12 9 A E E +A 371 0A 68 -2,-0.3 359,-0.2 359,-0.2 3,-0.2 -0.652 43.9 173.4 -81.7 87.1 34.5 -10.8 68.3 13 10 A L E S+ 0 0 12 -2,-1.7 2,-0.8 357,-0.6 -1,-0.2 0.913 71.4 35.5 -64.6 -51.5 37.0 -13.1 66.6 14 11 A F E S-A 370 0A 1 356,-1.9 356,-2.3 -3,-0.2 2,-0.6 -0.912 88.3-159.4-106.3 101.4 40.3 -11.6 67.9 15 12 A K >> - 0 0 76 -2,-0.8 4,-2.0 -3,-0.2 3,-1.2 -0.743 15.4-123.5 -90.6 115.2 39.3 -10.7 71.4 16 13 A R T 34 S+ 0 0 57 -2,-0.6 20,-0.2 1,-0.3 21,-0.2 -0.188 93.1 2.4 -52.6 142.9 41.5 -8.1 73.1 17 14 A K T 34 S+ 0 0 126 18,-2.3 -1,-0.3 19,-0.4 19,-0.1 0.840 134.2 56.6 44.9 45.6 42.9 -9.3 76.5 18 15 A N T <4 S+ 0 0 102 -3,-1.2 2,-0.2 17,-0.5 -1,-0.2 0.173 77.5 78.8-160.7 -68.7 41.3 -12.7 75.9 19 16 A S < - 0 0 12 -4,-2.0 16,-0.8 16,-0.1 -1,-0.4 -0.395 67.5-149.3 -60.6 126.1 42.2 -14.5 72.7 20 17 A T E -F 34 0B 49 -2,-0.2 14,-0.2 14,-0.2 12,-0.1 -0.606 6.7-154.4 -97.0 158.3 45.6 -16.2 73.1 21 18 A V E -F 33 0B 2 12,-2.0 12,-3.0 -2,-0.2 2,-1.9 -0.928 33.3-101.7-126.9 151.1 48.2 -16.9 70.4 22 19 A P E -F 32 0B 25 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.532 43.8-164.4 -74.9 84.3 50.8 -19.7 70.3 23 20 A F E -F 31 0B 8 8,-2.1 8,-3.1 -2,-1.9 2,-0.6 -0.530 9.3-141.1 -71.6 133.3 53.9 -17.6 71.3 24 21 A E E -F 30 0B 73 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.859 11.7-144.0-102.1 115.9 57.2 -19.3 70.6 25 22 A E > - 0 0 57 4,-3.4 3,-2.4 -2,-0.6 -1,-0.0 -0.232 32.5 -99.6 -69.4 164.4 59.9 -18.9 73.2 26 23 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.821 126.0 53.9 -53.8 -35.6 63.6 -18.6 72.2 27 24 A N T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.418 123.8-105.2 -82.0 3.2 64.0 -22.3 73.1 28 25 A G S < S+ 0 0 36 -3,-2.4 2,-0.1 1,-0.3 -2,-0.1 0.371 73.5 142.6 91.5 -7.0 61.1 -23.2 70.8 29 26 A T - 0 0 81 -5,-0.1 -4,-3.4 1,-0.1 2,-0.5 -0.469 46.2-133.5 -68.8 139.9 58.7 -23.9 73.6 30 27 A I E -F 24 0B 91 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.824 23.3-176.9 -99.9 132.7 55.1 -22.8 72.8 31 28 A R E -F 23 0B 104 -8,-3.1 -8,-2.1 -2,-0.5 2,-0.8 -0.993 30.3-126.3-129.9 125.1 53.1 -20.7 75.3 32 29 A E E -F 22 0B 112 -2,-0.4 2,-0.4 -10,-0.2 -12,-0.0 -0.604 41.5-166.0 -70.0 110.9 49.5 -19.6 74.8 33 30 A R E -F 21 0B 34 -12,-3.0 -12,-2.0 -2,-0.8 2,-0.1 -0.869 18.6-122.6-111.5 138.1 50.0 -15.9 75.4 34 31 A V E -F 20 0B 80 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.423 24.8-143.6 -71.9 145.6 47.3 -13.3 76.0 35 32 A V - 0 0 0 -16,-0.8 -18,-2.3 -20,-0.3 -17,-0.5 -0.948 9.1-153.4-118.1 124.9 47.3 -10.3 73.6 36 33 A H S S+ 0 0 37 22,-1.7 -19,-0.4 -2,-0.5 2,-0.3 0.966 79.5 0.5 -56.4 -56.7 46.5 -6.8 74.6 37 34 A S E -G 57 0C 0 20,-2.1 20,-2.8 23,-0.3 2,-0.5 -0.985 55.1-150.9-139.5 145.8 45.2 -5.7 71.2 38 35 A F E +G 56 0C 1 330,-2.3 2,-0.2 -2,-0.3 18,-0.2 -0.967 33.9 159.6-113.7 126.8 44.7 -7.1 67.7 39 36 A R E +G 55 0C 12 16,-1.9 16,-3.1 -2,-0.5 331,-0.1 -0.803 37.1 49.6-137.6 178.4 44.9 -4.6 64.9 40 37 A I E S- 0 0 1 -2,-0.2 61,-0.2 14,-0.2 -1,-0.2 0.950 71.7-158.3 54.8 61.4 45.5 -4.2 61.1 41 38 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.395 22.7 169.7 -75.2 143.0 43.0 -6.8 59.8 42 39 A T E -G 53 0C 0 11,-1.7 11,-3.5 142,-0.1 2,-0.4 -0.950 7.8-173.5-145.5 132.1 43.0 -8.6 56.5 43 40 A I E +G 52 0C 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 14.3 166.3-129.4 126.0 40.8 -11.6 55.6 44 41 A V E -G 51 0C 13 7,-2.6 7,-2.8 -2,-0.4 2,-0.5 -0.825 34.3-114.9-132.9 171.4 41.2 -13.4 52.3 45 42 A N E -G 50 0C 53 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.965 24.5-175.7-113.7 122.1 40.1 -16.7 50.6 46 43 A V E > S-G 49 0C 0 3,-2.8 3,-2.2 -2,-0.5 62,-0.1 -0.928 74.3 -40.2-121.8 102.1 42.8 -19.2 49.8 47 44 A D T 3 S- 0 0 91 -2,-0.6 3,-0.1 60,-0.3 -1,-0.1 0.850 124.5 -41.0 51.0 41.3 41.4 -22.2 47.9 48 45 A G T 3 S+ 0 0 23 1,-0.3 2,-0.5 28,-0.0 29,-0.3 0.406 115.6 114.3 91.0 -2.7 38.3 -22.2 50.0 49 46 A V E < -G 46 0C 1 -3,-2.2 -3,-2.8 27,-0.1 2,-0.4 -0.894 62.3-137.2-106.2 123.8 40.1 -21.5 53.3 50 47 A M E -GH 45 74C 0 24,-2.6 24,-2.2 -2,-0.5 2,-0.5 -0.675 22.4-167.5 -76.2 132.3 39.3 -18.2 55.0 51 48 A V E -GH 44 73C 0 -7,-2.8 -7,-2.6 -2,-0.4 2,-0.5 -0.975 6.2-166.3-128.1 120.0 42.5 -16.8 56.3 52 49 A A E -GH 43 72C 0 20,-3.3 20,-2.2 -2,-0.5 2,-0.4 -0.903 7.2-167.0-107.0 129.3 42.5 -13.8 58.7 53 50 A I E +GH 42 71C 0 -11,-3.5 -11,-1.7 -2,-0.5 2,-0.3 -0.902 15.2 157.7-116.8 140.7 45.7 -11.9 59.3 54 51 A A E - H 0 70C 0 16,-2.1 16,-3.1 -2,-0.4 2,-0.4 -0.998 45.1-102.1-160.8 157.3 46.4 -9.4 62.0 55 52 A D E -GH 39 69C 0 -16,-3.1 -16,-1.9 -2,-0.3 2,-0.8 -0.706 30.4-153.7 -76.9 130.9 49.0 -7.6 64.2 56 53 A A E -GH 38 68C 0 12,-2.8 12,-1.8 -2,-0.4 2,-1.3 -0.925 9.2-167.3-105.7 102.3 49.0 -9.2 67.6 57 54 A R E -GH 37 67C 2 -20,-2.8 -20,-2.1 -2,-0.8 10,-0.2 -0.790 5.3-168.5 -95.9 92.6 50.2 -6.3 69.8 58 55 A Y S S+ 0 0 5 -2,-1.3 -22,-1.7 8,-1.0 -1,-0.2 0.779 71.6 20.0 -49.4 -45.7 51.0 -8.3 72.9 59 56 A E S S- 0 0 105 7,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.702 127.2 -5.6-107.2 -28.5 51.5 -5.6 75.5 60 57 A T - 0 0 49 6,-0.3 -1,-0.3 2,-0.2 -23,-0.3 -0.944 62.9-113.3-158.3 169.3 49.9 -2.3 74.4 61 58 A S S S+ 0 0 12 305,-0.3 4,-0.1 -2,-0.3 306,-0.1 0.523 74.0 122.6 -90.1 -5.2 48.2 -1.0 71.3 62 59 A F - 0 0 147 1,-0.1 3,-0.4 2,-0.1 -2,-0.2 -0.230 68.6-126.8 -59.3 143.9 51.0 1.4 70.5 63 60 A D S S+ 0 0 70 1,-0.3 2,-1.2 58,-0.0 -1,-0.1 0.857 105.0 56.3 -60.9 -38.2 52.7 1.1 67.1 64 61 A N S S+ 0 0 43 57,-0.2 -1,-0.3 2,-0.1 2,-0.2 -0.498 91.6 98.2 -98.8 69.5 56.2 0.9 68.5 65 62 A S S S- 0 0 7 -2,-1.2 2,-0.6 -3,-0.4 30,-0.2 -0.778 88.0 -60.2-139.0 179.8 55.6 -2.1 70.8 66 63 A F + 0 0 20 28,-0.4 -8,-1.0 -2,-0.2 -7,-0.6 -0.559 68.8 161.9 -72.6 115.4 56.1 -5.9 70.9 67 64 A I E +Hi 57 97C 0 29,-1.4 31,-1.4 -2,-0.6 2,-0.3 -0.992 20.8 178.7-141.2 142.2 54.1 -7.2 67.9 68 65 A E E -H 56 0C 0 -12,-1.8 -12,-2.8 -2,-0.3 2,-0.7 -0.943 38.9 -98.6-137.4 160.8 54.0 -10.4 65.8 69 66 A T E -HJ 55 87C 0 18,-1.9 17,-2.1 -2,-0.3 18,-1.4 -0.713 40.1-164.9 -86.5 117.9 51.8 -11.4 62.9 70 67 A A E -HJ 54 85C 0 -16,-3.1 -16,-2.1 -2,-0.7 2,-0.4 -0.653 3.5-164.4 -98.8 155.7 48.9 -13.6 63.9 71 68 A V E -HJ 53 84C 0 13,-2.7 13,-2.8 -2,-0.2 2,-0.4 -1.000 10.6-174.1-140.4 139.3 46.7 -15.8 61.7 72 69 A K E -HJ 52 83C 23 -20,-2.2 -20,-3.3 -2,-0.4 2,-0.4 -0.996 16.2-173.3-126.8 132.4 43.4 -17.5 62.3 73 70 A Y E -HJ 51 82C 18 9,-2.2 9,-2.6 -2,-0.4 2,-0.3 -0.976 6.3-166.5-132.5 151.0 42.1 -19.7 59.4 74 71 A S E -H 50 0C 2 -24,-2.2 -24,-2.6 -2,-0.4 3,-0.4 -0.998 20.0-169.4-139.1 134.8 38.8 -21.6 58.9 75 72 A V S S+ 0 0 47 -2,-0.3 6,-0.1 5,-0.2 76,-0.1 0.391 89.6 57.5-101.8 1.5 37.6 -24.3 56.5 76 73 A D S > S- 0 0 60 4,-0.5 3,-1.0 -26,-0.1 -1,-0.2 -0.081 119.2 -95.9-122.6 35.6 34.0 -23.9 57.5 77 74 A D T 3 S- 0 0 46 -3,-0.4 -2,-0.1 -29,-0.3 -28,-0.1 0.837 91.3 -40.7 57.0 36.2 33.3 -20.3 56.7 78 75 A G T 3 S+ 0 0 11 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.463 105.4 117.3 96.8 -0.6 33.9 -19.2 60.2 79 76 A A S < S+ 0 0 73 -3,-1.0 2,-0.3 1,-0.2 -2,-0.1 0.966 92.4 4.9 -63.0 -48.5 32.2 -22.0 62.2 80 77 A T S S- 0 0 87 2,-0.0 -4,-0.5 0, 0.0 -2,-0.4 -0.946 71.4-159.2-134.8 156.3 35.6 -22.8 63.7 81 78 A W - 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