==== 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 05-OCT-02 1MZ5 . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA RANGELI; . AUTHOR A.BUSCHIAZZO,G.A.TAVARES,O.CAMPETELLA,S.SPINELLI,M.L.CREMONA . 622 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 65.4 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 38.6 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 . 12 1.9 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 5.3 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 0 1 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 3 6 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 1 A L 0 0 51 0, 0.0 333,-0.2 0, 0.0 336,-0.1 0.000 360.0 360.0 360.0 138.2 48.8 3.4 8.8 2 2 A A > - 0 0 22 1,-0.1 3,-2.3 4,-0.1 372,-0.3 -0.302 360.0 -92.7 -71.5 150.7 51.8 4.4 6.7 3 3 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.361 116.3 28.6 -57.7 136.5 54.9 6.1 8.2 4 4 A G T 3 S+ 0 0 62 1,-0.4 369,-0.1 369,-0.1 2,-0.1 0.125 101.1 104.7 96.0 -19.9 54.3 9.9 7.8 5 5 A S < + 0 0 18 -3,-2.3 -1,-0.4 368,-0.1 2,-0.3 -0.400 45.8 176.9 -89.6 172.1 50.5 9.6 7.9 6 6 A S E -A 371 0A 64 365,-1.3 365,-3.6 -3,-0.1 2,-0.3 -0.980 11.1-160.3-165.1 168.7 48.3 10.5 10.9 7 7 A R E -A 370 0A 63 -2,-0.3 2,-0.3 363,-0.3 363,-0.2 -0.954 8.9-145.7-152.8 166.3 44.8 10.8 12.1 8 8 A V E -A 369 0A 84 361,-1.6 361,-2.7 -2,-0.3 2,-1.7 -0.957 34.0-111.4-134.1 152.2 42.4 12.4 14.7 9 9 A E E +A 368 0A 61 -2,-0.3 359,-0.2 359,-0.2 3,-0.2 -0.661 44.8 172.8 -85.0 85.7 39.3 11.0 16.3 10 10 A L E S+ 0 0 18 -2,-1.7 2,-0.7 357,-0.6 -1,-0.2 0.858 72.2 34.2 -68.8 -43.1 37.0 13.4 14.5 11 11 A F E S-A 367 0A 1 356,-1.8 356,-2.2 -3,-0.2 2,-0.7 -0.937 88.7-163.3-110.8 99.7 33.6 11.8 15.6 12 12 A K >> - 0 0 84 -2,-0.7 4,-2.8 -3,-0.2 3,-1.0 -0.806 17.7-118.9 -99.1 117.5 34.5 10.6 19.1 13 13 A R T 34 S+ 0 0 55 -2,-0.7 20,-0.2 1,-0.2 21,-0.2 -0.022 93.1 0.3 -44.4 145.1 32.3 8.1 20.8 14 14 A K T 34 S+ 0 0 135 18,-1.7 -1,-0.2 19,-0.3 19,-0.1 0.815 134.3 58.1 39.2 44.0 30.7 9.2 24.2 15 15 A N T <4 S+ 0 0 101 -3,-1.0 -1,-0.2 17,-0.5 -2,-0.2 0.174 76.3 82.8-160.3 -66.0 32.4 12.6 23.8 16 16 A S < - 0 0 19 -4,-2.8 16,-0.9 16,-0.2 -1,-0.4 -0.339 67.1-146.0 -62.8 133.6 31.6 14.4 20.6 17 17 A T E -F 31 0B 51 14,-0.2 14,-0.2 -2,-0.1 12,-0.1 -0.653 10.9-161.9-101.3 148.3 28.4 16.3 20.8 18 18 A V E -F 30 0B 2 12,-1.7 12,-2.5 -2,-0.2 2,-1.8 -0.970 33.4-104.9-128.6 149.1 25.8 17.0 18.2 19 19 A P E -F 29 0B 28 0, 0.0 2,-0.3 0, 0.0 63,-0.2 -0.532 40.4-162.8 -77.0 86.2 23.1 19.7 18.2 20 20 A F E -F 28 0B 8 8,-2.1 8,-2.8 -2,-1.8 2,-0.8 -0.482 9.8-141.2 -67.8 129.3 20.0 17.7 19.0 21 21 A E E -F 27 0B 81 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.825 15.6-142.9 -98.9 110.5 16.7 19.5 18.2 22 22 A E > - 0 0 89 4,-3.4 3,-2.3 -2,-0.8 0, 0.0 -0.211 31.6 -98.1 -66.1 159.2 14.1 18.7 20.8 23 23 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.709 122.8 55.3 -53.3 -21.6 10.5 18.3 19.6 24 24 A N T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.267 123.0 -99.5 -98.7 12.6 9.7 21.9 20.6 25 25 A G S < S+ 0 0 39 -3,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.080 81.6 132.5 95.6 -26.6 12.5 23.5 18.5 26 26 A T - 0 0 74 -5,-0.1 -4,-3.4 1,-0.1 2,-0.5 -0.298 47.4-142.3 -61.6 142.8 14.9 23.9 21.4 27 27 A I E -F 21 0B 93 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.926 19.2-178.5-117.6 126.8 18.4 22.7 20.6 28 28 A R E -F 20 0B 42 -8,-2.8 -8,-2.1 -2,-0.5 2,-0.8 -0.933 33.0-118.8-124.7 144.1 20.7 20.9 23.0 29 29 A E E -F 19 0B 114 -2,-0.4 2,-0.4 -10,-0.2 -12,-0.0 -0.707 42.6-171.2 -79.9 110.6 24.2 19.6 22.6 30 30 A R E -F 18 0B 68 -12,-2.5 -12,-1.7 -2,-0.8 2,-0.0 -0.891 21.0-122.1-113.8 133.1 23.8 15.8 23.2 31 31 A V E -F 17 0B 55 -2,-0.4 2,-0.4 -14,-0.2 -14,-0.2 -0.332 25.3-143.7 -69.9 152.4 26.5 13.2 23.6 32 32 A V - 0 0 0 -16,-0.9 -18,-1.7 -20,-0.3 -17,-0.5 -0.976 8.2-149.8-127.0 126.1 26.4 10.3 21.2 33 33 A H S S+ 0 0 35 22,-2.1 2,-0.3 -2,-0.4 -19,-0.3 0.938 79.1 2.5 -56.1 -58.3 27.3 6.7 22.0 34 34 A S E -G 54 0C 0 20,-2.1 20,-2.5 23,-0.3 2,-0.5 -0.991 55.0-151.5-137.3 146.3 28.7 5.6 18.6 35 35 A F E +G 53 0C 0 330,-2.1 2,-0.2 -2,-0.3 18,-0.2 -0.981 35.0 164.1-115.9 121.4 29.3 7.3 15.2 36 36 A R E +G 52 0C 15 16,-1.6 16,-2.9 -2,-0.5 61,-0.1 -0.814 37.9 39.9-131.8 169.4 29.1 4.8 12.4 37 37 A I E S- 0 0 2 -2,-0.2 61,-0.3 14,-0.2 -1,-0.2 0.937 73.2-163.9 59.9 59.1 28.7 4.5 8.6 38 38 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.361 21.5 175.7 -78.8 153.9 31.0 7.3 7.4 39 39 A T E -G 50 0C 1 11,-1.8 11,-3.4 142,-0.1 2,-0.5 -0.929 7.4-168.7-149.0 133.4 31.3 9.1 4.2 40 40 A I E +G 49 0C 3 -2,-0.3 9,-0.2 9,-0.3 2,-0.2 -0.991 16.9 166.4-123.6 123.1 33.6 12.1 3.5 41 41 A V E -G 48 0C 16 7,-3.1 7,-2.6 -2,-0.5 2,-0.5 -0.732 33.7-115.9-125.5 177.6 33.2 14.1 0.2 42 42 A N E -G 47 0C 52 -2,-0.2 2,-0.7 5,-0.2 5,-0.2 -0.971 22.9-171.3-120.1 117.3 34.3 17.4 -1.3 43 43 A V E > S-G 46 0C 0 3,-3.1 3,-3.6 -2,-0.5 62,-0.1 -0.927 71.7 -43.3-112.4 107.1 31.7 20.0 -2.1 44 44 A D T 3 S- 0 0 88 -2,-0.7 -1,-0.1 60,-0.4 3,-0.1 0.835 125.2 -37.2 49.2 42.3 33.1 22.9 -4.1 45 45 A G T 3 S+ 0 0 26 1,-0.2 2,-0.5 28,-0.0 -1,-0.3 0.353 117.8 108.8 93.7 -10.1 36.2 23.1 -1.8 46 46 A V E < -G 43 0C 0 -3,-3.6 -3,-3.1 27,-0.1 2,-0.3 -0.907 65.6-132.2-106.3 125.9 34.4 22.2 1.4 47 47 A M E -GH 42 71C 0 24,-2.5 24,-2.5 -2,-0.5 2,-0.4 -0.579 22.9-166.4 -73.1 133.1 35.0 18.8 3.1 48 48 A V E -GH 41 70C 0 -7,-2.6 -7,-3.1 -2,-0.3 2,-0.5 -0.984 5.7-168.7-128.6 118.3 31.7 17.2 4.2 49 49 A A E -GH 40 69C 0 20,-3.2 20,-2.5 -2,-0.4 2,-0.4 -0.939 8.4-169.7-110.2 118.8 31.7 14.3 6.6 50 50 A T E +GH 39 68C 1 -11,-3.4 -11,-1.8 -2,-0.5 2,-0.3 -0.864 15.1 154.3-112.9 142.7 28.4 12.4 6.9 51 51 A A E - H 0 67C 0 16,-2.4 16,-2.6 -2,-0.4 2,-0.5 -0.997 46.3 -96.2-162.1 160.7 27.6 9.8 9.5 52 52 A D E -GH 36 66C 0 -16,-2.9 -16,-1.6 -2,-0.3 2,-0.9 -0.745 30.3-151.4 -74.1 126.5 25.1 7.9 11.6 53 53 A A E -GH 35 65C 0 12,-3.6 12,-1.7 -2,-0.5 2,-1.3 -0.871 11.2-167.8 -94.3 101.5 24.8 9.5 15.1 54 54 A R E -GH 34 64C 0 -20,-2.5 -20,-2.1 -2,-0.9 -21,-0.3 -0.726 6.1-171.0 -91.9 95.3 23.8 6.5 17.1 55 55 A Y S S+ 0 0 5 -2,-1.3 -22,-2.1 8,-1.2 -1,-0.2 0.837 71.2 17.9 -60.2 -42.1 22.8 8.3 20.3 56 56 A E S S- 0 0 113 7,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.714 127.5 -1.9-108.4 -30.5 22.2 5.5 22.8 57 57 A T - 0 0 36 6,-0.2 -23,-0.3 2,-0.2 -1,-0.3 -0.968 63.3-111.9-155.8 166.6 23.9 2.4 21.5 58 58 A S S S+ 0 0 8 305,-0.4 4,-0.1 -2,-0.3 306,-0.1 0.580 77.0 121.0 -82.9 -5.6 25.8 1.1 18.4 59 59 A F > - 0 0 138 1,-0.1 3,-0.6 2,-0.1 -2,-0.2 -0.217 68.4-131.6 -65.7 146.7 22.9 -1.1 17.4 60 60 A D T 3 S+ 0 0 71 1,-0.3 2,-0.9 58,-0.0 -1,-0.1 0.852 102.7 56.5 -59.4 -35.9 21.2 -0.9 14.1 61 61 A N T 3 S+ 0 0 38 57,-0.2 -1,-0.3 2,-0.1 2,-0.2 -0.371 92.5 89.2-100.7 54.1 17.7 -0.9 15.7 62 62 A S S < S- 0 0 9 -2,-0.9 2,-0.6 -3,-0.6 30,-0.2 -0.718 89.9 -55.2-137.1-174.7 18.1 2.1 18.0 63 63 A F + 0 0 22 28,-0.4 -8,-1.2 -2,-0.2 -7,-0.5 -0.553 66.8 166.4 -72.9 111.1 17.6 5.9 18.1 64 64 A I E +Hi 54 94C 0 29,-1.3 31,-1.5 -2,-0.6 2,-0.3 -0.968 20.2 177.9-134.8 143.5 19.6 7.4 15.2 65 65 A E E -H 53 0C 0 -12,-1.7 -12,-3.6 -2,-0.3 2,-0.8 -0.902 37.9-101.8-132.4 163.8 20.1 10.7 13.2 66 66 A T E -HJ 52 84C 0 18,-2.3 17,-2.0 -2,-0.3 18,-1.2 -0.790 38.8-164.8 -88.4 114.0 22.3 11.8 10.4 67 67 A A E -HJ 51 82C 0 -16,-2.6 -16,-2.4 -2,-0.8 2,-0.4 -0.621 4.0-166.6 -93.2 155.4 25.2 13.9 11.6 68 68 A V E -HJ 50 81C 0 13,-2.6 13,-2.7 -2,-0.2 2,-0.4 -0.999 11.1-175.0-137.5 141.0 27.4 16.1 9.5 69 69 A K E -HJ 49 80C 21 -20,-2.5 -20,-3.2 -2,-0.4 2,-0.3 -0.994 16.0-175.7-123.4 138.4 30.7 17.9 10.1 70 70 A Y E -HJ 48 79C 17 9,-1.9 9,-2.0 -2,-0.4 2,-0.3 -0.939 6.3-164.3-132.1 160.2 32.1 20.1 7.4 71 71 A S E -H 47 0C 2 -24,-2.5 -24,-2.5 -2,-0.3 3,-0.3 -0.994 22.1-167.3-149.2 139.5 35.2 22.1 7.0 72 72 A V S S+ 0 0 44 -2,-0.3 76,-0.1 5,-0.2 6,-0.1 0.352 89.6 58.4-101.7 2.5 36.5 24.9 4.7 73 73 A D S > S- 0 0 57 4,-0.5 3,-1.3 -26,-0.1 -1,-0.2 -0.109 115.3 -97.1-129.2 39.3 40.1 24.4 5.8 74 74 A D T 3 S- 0 0 53 -3,-0.3 -2,-0.1 -29,-0.3 -28,-0.1 0.767 91.5 -44.2 55.3 29.9 41.0 20.8 5.0 75 75 A G T 3 S+ 0 0 13 2,-0.4 -1,-0.3 -28,-0.1 3,-0.1 0.506 106.6 113.0 96.8 6.4 40.3 19.7 8.5 76 76 A A S < S+ 0 0 77 -3,-1.3 2,-0.3 1,-0.3 -2,-0.1 0.626 92.6 15.3 -77.7 -7.9 41.9 22.3 10.8 77 77 A T - 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