==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-DEC-05 2FHR . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA RANGELI; . AUTHOR M.F.AMAYA,P.M.ALZARI,A.BUSCHIAZZO . 625 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24036.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 408 65.3 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 . 240 38.4 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 . 5 0.8 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 . 61 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 5.1 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 0 1 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 . 5 8 2 3 8 5 4 5 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 0 A S 0 0 79 0, 0.0 336,-0.2 0, 0.0 333,-0.2 0.000 360.0 360.0 360.0 166.1 25.6 -0.8 62.3 2 1 A L - 0 0 29 334,-0.9 333,-0.1 333,-0.2 3,-0.1 0.019 360.0-109.8 -22.7 121.0 26.1 -4.4 61.2 3 2 A A > - 0 0 24 1,-0.2 3,-1.8 331,-0.1 372,-0.3 -0.146 32.1 -85.5 -69.4 153.6 23.0 -5.3 59.3 4 3 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.386 118.9 31.9 -52.0 137.0 20.2 -7.6 60.2 5 4 A G T 3 S+ 0 0 59 1,-0.4 2,-0.1 369,-0.1 369,-0.1 -0.063 101.3 104.9 97.5 -29.2 21.1 -11.2 59.2 6 5 A S < + 0 0 20 -3,-1.8 -1,-0.4 367,-0.1 2,-0.3 -0.451 44.3 173.2 -87.1 158.4 24.8 -10.5 59.8 7 6 A S E -A 372 0A 59 365,-1.3 365,-2.7 -2,-0.1 2,-0.3 -0.940 9.3-162.5-155.9 164.1 26.9 -11.7 62.7 8 7 A R E -A 371 0A 66 -2,-0.3 2,-0.3 363,-0.2 363,-0.2 -0.973 6.6-151.0-147.8 162.2 30.5 -11.7 63.9 9 8 A V E -A 370 0A 81 361,-2.0 361,-3.0 -2,-0.3 2,-1.2 -0.992 32.7-111.5-128.7 152.5 32.9 -13.3 66.3 10 9 A E E +A 369 0A 58 -2,-0.3 3,-0.3 359,-0.2 359,-0.2 -0.660 43.0 173.0 -71.6 95.4 36.1 -12.1 68.0 11 10 A L E S+ 0 0 14 357,-1.5 2,-0.6 -2,-1.2 -1,-0.2 0.894 73.4 36.7 -82.3 -40.9 38.4 -14.3 66.0 12 11 A F E S-A 368 0A 1 356,-2.0 356,-2.2 -3,-0.2 2,-0.7 -0.913 88.2-160.3-111.8 98.9 41.7 -12.9 67.4 13 12 A K >> - 0 0 78 -2,-0.6 4,-2.7 -3,-0.3 3,-1.2 -0.737 15.8-123.4 -95.1 115.0 40.8 -12.1 71.0 14 13 A R T 34 S+ 0 0 58 -2,-0.7 20,-0.2 1,-0.2 21,-0.2 -0.236 93.2 1.4 -52.2 135.8 42.9 -9.7 73.0 15 14 A K T 34 S+ 0 0 127 18,-2.8 -1,-0.2 1,-0.2 19,-0.2 0.844 134.0 57.5 50.8 42.5 44.5 -11.1 76.1 16 15 A N T <4 S+ 0 0 99 -3,-1.2 -2,-0.2 17,-0.5 2,-0.2 0.235 76.0 84.5-158.3 -64.0 42.9 -14.5 75.4 17 16 A S < - 0 0 13 -4,-2.7 16,-1.0 16,-0.2 -1,-0.4 -0.379 65.9-148.9 -60.9 123.6 43.9 -15.9 72.0 18 17 A T E -F 32 0B 55 14,-0.2 14,-0.2 -2,-0.2 12,-0.1 -0.684 8.2-160.0 -91.2 151.5 47.1 -17.8 72.3 19 18 A V E -F 31 0B 1 12,-2.0 12,-2.4 -2,-0.3 2,-1.8 -0.968 31.9-105.7-122.9 147.0 49.7 -18.1 69.5 20 19 A P E -F 30 0B 24 0, 0.0 63,-0.3 0, 0.0 2,-0.2 -0.481 42.2-167.2 -72.7 85.5 52.4 -20.8 69.2 21 20 A F E -F 29 0B 7 8,-1.8 8,-2.5 -2,-1.8 2,-0.5 -0.523 10.7-142.3 -74.0 134.4 55.5 -18.7 70.1 22 21 A E E -F 28 0B 76 -2,-0.2 6,-0.2 6,-0.2 5,-0.1 -0.866 13.2-145.8 -99.8 126.3 58.8 -20.4 69.4 23 22 A E > - 0 0 65 4,-3.0 3,-1.0 -2,-0.5 -1,-0.0 -0.298 32.6 -97.0 -80.0 167.3 61.6 -19.8 71.9 24 23 A S T 3 S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.866 125.8 54.9 -48.5 -43.2 65.3 -19.5 71.0 25 24 A N T 3 S- 0 0 125 2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.691 120.5-109.0 -71.7 -15.4 65.8 -23.2 71.9 26 25 A G S < S+ 0 0 38 -3,-1.0 2,-0.2 1,-0.4 -2,-0.1 0.374 73.2 135.1 104.5 -2.2 63.0 -24.2 69.5 27 26 A T - 0 0 80 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.564 48.8-134.1 -76.4 143.0 60.4 -25.2 72.0 28 27 A I E -F 22 0B 94 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.815 23.5-179.6 -95.4 132.8 56.8 -23.9 71.3 29 28 A R E -F 21 0B 110 -8,-2.5 -8,-1.8 -2,-0.4 2,-0.2 -0.985 34.7-116.2-131.3 133.7 54.6 -22.4 74.0 30 29 A E E -F 20 0B 109 -2,-0.4 2,-0.4 -10,-0.2 -12,-0.1 -0.461 40.0-166.3 -54.3 120.9 51.1 -21.0 73.7 31 30 A R E -F 19 0B 33 -12,-2.4 -12,-2.0 -2,-0.2 2,-0.1 -0.987 16.9-128.7-123.0 124.4 51.7 -17.3 74.4 32 31 A V E -F 18 0B 78 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.462 23.9-142.0 -68.8 147.9 48.8 -14.9 75.2 33 32 A V - 0 0 0 -16,-1.0 -18,-2.8 -20,-0.3 -17,-0.5 -0.954 9.5-151.9-125.5 125.4 48.8 -11.7 73.1 34 33 A H S S+ 0 0 38 22,-1.6 2,-0.4 21,-0.6 22,-0.2 0.946 79.9 9.9 -61.0 -55.3 47.8 -8.3 74.4 35 34 A S E -G 55 0C 0 20,-2.3 20,-2.5 23,-0.3 2,-0.5 -0.989 55.7-153.4-133.3 141.2 46.6 -6.9 71.1 36 35 A F E +G 54 0C 0 330,-2.5 2,-0.2 -2,-0.4 18,-0.2 -0.964 33.9 161.8-111.8 122.8 45.8 -8.1 67.6 37 36 A R E +G 53 0C 13 16,-1.6 16,-2.8 -2,-0.5 61,-0.1 -0.751 37.9 38.2-132.9 165.8 46.2 -5.4 64.9 38 37 A I E S- 0 0 1 -2,-0.2 61,-0.2 14,-0.2 144,-0.2 0.889 71.5-162.1 60.4 58.9 46.6 -4.8 61.2 39 38 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.382 20.4 176.5 -78.0 143.4 44.3 -7.5 59.7 40 39 A T E -G 51 0C 0 11,-1.9 11,-2.7 142,-0.1 2,-0.5 -0.979 7.6-168.6-135.0 133.2 44.2 -9.0 56.2 41 40 A I E +G 50 0C 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.984 16.6 165.9-121.1 129.5 41.9 -11.8 55.2 42 41 A V E -G 49 0C 14 7,-3.3 7,-3.3 -2,-0.5 2,-0.5 -0.889 34.2-118.8-133.3 166.6 42.3 -13.6 51.9 43 42 A N E -G 48 0C 50 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.910 22.6-175.7-103.4 124.3 41.3 -16.7 50.0 44 43 A V E > S-G 47 0C 0 3,-3.0 3,-1.8 -2,-0.5 62,-0.1 -0.927 73.6 -41.1-120.4 99.7 44.0 -19.2 48.8 45 44 A D T 3 S- 0 0 95 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.814 125.1 -37.1 60.4 42.7 42.6 -21.9 46.7 46 45 A G T 3 S+ 0 0 30 1,-0.2 2,-0.5 28,-0.0 -1,-0.3 0.375 118.1 110.7 88.7 2.1 39.5 -22.4 48.9 47 46 A V E < -G 44 0C 0 -3,-1.8 -3,-3.0 27,-0.1 2,-0.4 -0.932 64.1-136.4-114.8 123.7 41.3 -21.8 52.2 48 47 A M E -GH 43 72C 0 24,-2.2 24,-1.8 -2,-0.5 2,-0.4 -0.647 21.2-168.4 -75.1 129.2 40.7 -18.6 54.2 49 48 A V E -GH 42 71C 0 -7,-3.3 -7,-3.3 -2,-0.4 2,-0.5 -0.982 4.9-170.4-125.4 122.7 43.9 -17.0 55.5 50 49 A A E -GH 41 70C 0 20,-2.7 20,-2.5 -2,-0.4 2,-0.4 -0.956 7.0-167.3-116.5 122.5 43.8 -14.3 58.1 51 50 A I E +GH 40 69C 0 -11,-2.7 -11,-1.9 -2,-0.5 2,-0.3 -0.884 14.4 159.8-118.2 139.5 47.0 -12.5 58.8 52 51 A A E - H 0 68C 0 16,-2.7 16,-2.6 -2,-0.4 2,-0.5 -0.983 44.0-101.2-153.8 159.1 47.7 -10.1 61.8 53 52 A D E -GH 37 67C 0 -16,-2.8 -16,-1.6 -2,-0.3 2,-0.8 -0.783 30.1-150.5 -72.8 127.2 50.3 -8.4 64.0 54 53 A A E -GH 36 66C 0 12,-3.0 12,-1.7 -2,-0.5 2,-1.1 -0.929 11.5-166.7 -95.5 101.0 50.4 -10.3 67.3 55 54 A R E -GH 35 65C 2 -20,-2.5 -20,-2.3 -2,-0.8 -21,-0.6 -0.782 6.9-171.6 -91.3 95.0 51.4 -7.4 69.6 56 55 A Y S S+ 0 0 5 8,-1.5 -22,-1.6 -2,-1.1 -1,-0.2 0.887 71.4 16.8 -63.2 -44.3 52.4 -9.5 72.5 57 56 A E S S+ 0 0 116 7,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.735 127.8 1.0-106.0 -34.1 53.0 -7.0 75.3 58 57 A T - 0 0 36 6,-0.3 -23,-0.3 2,-0.2 -1,-0.2 -0.933 59.5-118.4-150.2 167.7 51.3 -3.7 74.2 59 58 A S S S+ 0 0 10 -2,-0.3 4,-0.1 305,-0.3 306,-0.1 0.533 75.8 117.3 -81.6 -12.3 49.3 -2.2 71.4 60 59 A F S S- 0 0 145 1,-0.1 3,-0.4 2,-0.1 -2,-0.2 -0.287 70.8-126.5 -70.0 146.7 52.0 0.3 70.7 61 60 A D S S+ 0 0 73 1,-0.2 2,-1.3 58,-0.0 -1,-0.1 0.867 101.7 56.4 -57.2 -44.9 53.8 0.2 67.3 62 61 A N S S+ 0 0 39 57,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.404 92.4 94.3 -99.8 67.0 57.4 0.0 68.5 63 62 A S S S- 0 0 7 -2,-1.3 2,-0.7 -3,-0.4 30,-0.2 -0.595 88.4 -54.3-143.3-179.9 57.0 -3.1 70.7 64 63 A F + 0 0 20 28,-0.4 -8,-1.5 -2,-0.2 -7,-0.6 -0.670 67.4 162.4 -81.0 112.7 57.4 -6.8 70.5 65 64 A I E -Hi 55 95C 0 29,-1.3 31,-1.4 -2,-0.7 2,-0.3 -0.988 20.4-179.3-138.0 142.1 55.4 -8.1 67.5 66 65 A E E -H 54 0C 0 -12,-1.7 -12,-3.0 -2,-0.3 2,-0.7 -0.959 37.6-101.9-137.0 157.0 55.2 -11.2 65.2 67 66 A T E -HJ 53 85C 0 18,-1.9 17,-2.0 -2,-0.3 18,-1.5 -0.684 39.4-166.3 -88.4 110.5 53.0 -12.1 62.2 68 67 A A E -HJ 52 83C 0 -16,-2.6 -16,-2.7 -2,-0.7 2,-0.3 -0.651 3.8-166.5 -92.5 153.2 50.2 -14.4 63.2 69 68 A V E -HJ 51 82C 0 13,-2.6 13,-2.2 -2,-0.3 2,-0.4 -0.992 9.2-170.1-135.2 141.1 48.0 -16.3 60.8 70 69 A K E -HJ 50 81C 23 -20,-2.5 -20,-2.7 -2,-0.3 2,-0.3 -0.998 16.2-173.8-125.1 138.6 44.7 -18.2 61.3 71 70 A Y E -HJ 49 80C 21 9,-2.2 9,-2.4 -2,-0.4 2,-0.3 -0.948 6.3-173.9-137.7 150.5 43.4 -20.4 58.5 72 71 A S E -H 48 0C 4 -24,-1.8 -24,-2.2 -2,-0.3 7,-0.1 -0.992 23.2-169.3-145.8 146.9 40.3 -22.4 57.9 73 72 A V S S+ 0 0 46 -2,-0.3 6,-0.1 5,-0.3 76,-0.1 0.247 90.6 60.4-115.7 1.8 39.0 -24.8 55.3 74 73 A D S > S- 0 0 64 4,-0.5 3,-0.6 -26,-0.1 -1,-0.1 -0.099 119.8 -98.3-120.6 35.3 35.4 -24.7 56.6 75 74 A D T 3 S- 0 0 44 -29,-0.3 4,-0.1 1,-0.2 -2,-0.1 0.856 88.9 -37.9 46.4 49.1 34.8 -21.0 56.0 76 75 A G T 3 S+ 0 0 10 2,-0.5 -1,-0.2 -28,-0.1 3,-0.1 0.582 107.6 114.5 87.0 12.8 35.5 -20.0 59.6 77 76 A A S < S+ 0 0 70 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.927 92.9 6.8 -72.8 -47.0 33.9 -22.9 61.4 78 77 A T S S- 0 0 80 2,-0.0 -4,-0.5 0, 0.0 -2,-0.5 -0.975 71.1-164.6-136.8 154.9 37.3 -23.9 62.6 79 78 A W - 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