==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-OCT-07 3B69 . COMPND 2 MOLECULE: TRANS-SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR A.BUSCHIAZZO . 626 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 65.7 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 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 62 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 5.0 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 . 4 9 1 7 4 6 3 5 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 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 A 0 0 95 0, 0.0 337,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-166.8 -2.6 4.4 -16.6 2 0 A S - 0 0 30 335,-0.2 332,-0.3 332,-0.2 334,-0.1 -0.951 360.0 -36.4-165.2-166.8 1.0 4.7 -17.5 3 1 A L - 0 0 34 -2,-0.3 3,-0.1 332,-0.2 332,-0.1 -0.308 69.2-100.2 -65.2 144.8 4.2 6.4 -16.5 4 2 A A > - 0 0 13 1,-0.2 3,-2.2 2,-0.1 371,-0.8 -0.335 56.8 -76.6 -63.5 146.9 3.9 10.1 -15.4 5 3 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.079 122.8 31.1 -48.0 137.9 4.8 12.7 -18.0 6 4 A G T 3 S+ 0 0 60 1,-0.4 2,-0.3 368,-0.1 -2,-0.1 0.265 100.6 109.1 96.5 -13.1 8.5 13.1 -18.6 7 5 A S < + 0 0 19 -3,-2.2 -1,-0.4 366,-0.1 2,-0.3 -0.715 38.5 158.6 -98.5 150.5 9.0 9.4 -17.8 8 6 A S E -A 372 0A 67 364,-0.9 364,-3.6 -2,-0.3 2,-0.3 -0.923 16.0-157.9-154.9 174.0 9.8 6.6 -20.3 9 7 A R E -A 371 0A 64 362,-0.3 2,-0.3 -2,-0.3 362,-0.2 -0.886 6.6-148.8-149.3 179.3 11.4 3.1 -20.3 10 8 A V E -A 370 0A 84 360,-1.0 360,-3.0 -2,-0.3 2,-1.2 -0.970 35.6-105.2-154.8 143.3 13.1 0.4 -22.4 11 9 A E E +A 369 0A 59 -2,-0.3 3,-0.3 358,-0.3 358,-0.3 -0.614 44.7 173.5 -70.4 97.3 13.1 -3.4 -22.4 12 10 A L E S+ 0 0 19 -2,-1.2 2,-1.0 356,-1.2 -1,-0.2 0.974 73.5 36.6 -72.9 -57.2 16.6 -3.8 -20.8 13 11 A F E S-A 368 0A 0 355,-2.0 355,-1.9 -3,-0.2 2,-0.5 -0.837 89.2-159.7 -99.4 94.0 16.5 -7.6 -20.3 14 12 A K >> - 0 0 81 -2,-1.0 4,-2.4 -3,-0.3 3,-1.5 -0.673 17.5-118.3 -83.7 122.4 14.6 -8.6 -23.5 15 13 A R T 34 S- 0 0 57 -2,-0.5 19,-0.2 1,-0.3 20,-0.2 -0.352 91.8 -1.8 -64.3 129.9 13.0 -12.1 -23.4 16 14 A Q T 34 S+ 0 0 113 17,-3.5 -1,-0.3 2,-0.2 18,-0.2 0.787 132.7 61.3 60.1 31.1 14.3 -14.6 -26.0 17 15 A S T <4 S+ 0 0 70 -3,-1.5 -2,-0.2 16,-0.6 -1,-0.1 0.427 75.2 82.5-145.6 -56.3 16.6 -11.9 -27.4 18 16 A S < - 0 0 17 -4,-2.4 15,-1.9 15,-0.2 2,-0.3 -0.362 67.1-148.3 -62.5 139.1 19.2 -10.7 -24.8 19 17 A K E -F 32 0B 110 13,-0.2 13,-0.3 -3,-0.1 11,-0.1 -0.799 11.9-165.3-112.6 153.9 22.2 -12.9 -24.6 20 18 A V E -F 31 0B 1 11,-2.3 11,-3.5 -2,-0.3 2,-1.5 -0.869 36.0-100.5-131.9 163.4 24.4 -13.8 -21.6 21 19 A P E -F 30 0B 32 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.574 43.5-166.8 -87.7 74.1 27.9 -15.4 -21.3 22 20 A F E -F 29 0B 21 -2,-1.5 7,-2.3 7,-1.5 2,-0.5 -0.465 5.7-154.6 -63.5 117.0 26.7 -18.9 -20.2 23 21 A E E +F 28 0B 80 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.842 24.4 156.9-101.2 132.1 29.7 -20.9 -18.9 24 22 A K E > +F 27 0B 100 3,-1.5 3,-0.7 -2,-0.5 65,-0.0 -0.891 66.5 0.1-154.9 121.7 29.8 -24.7 -19.0 25 23 A D T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.957 128.5 -55.6 66.9 52.0 32.8 -27.0 -18.9 26 24 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.2 -3,-0.0 2,-0.2 0.509 120.3 109.6 60.9 1.3 35.4 -24.2 -18.8 27 25 A K E < -F 24 0B 133 -3,-0.7 -3,-1.5 2,-0.0 2,-0.3 -0.597 54.5-155.5-103.3 167.3 33.7 -22.9 -22.0 28 26 A V E +F 23 0B 86 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.972 11.9 179.4-146.5 128.0 31.6 -19.7 -22.4 29 27 A T E -F 22 0B 69 -7,-2.3 -7,-1.5 -2,-0.3 2,-1.1 -0.989 37.6-111.9-133.4 141.1 29.0 -19.0 -25.1 30 28 A E E -F 21 0B 110 -2,-0.3 2,-0.5 -9,-0.2 -2,-0.0 -0.574 48.8-171.3 -72.1 102.3 26.7 -16.0 -25.8 31 29 A R E -F 20 0B 67 -11,-3.5 -11,-2.3 -2,-1.1 2,-0.0 -0.869 21.2-126.7-109.6 130.1 23.4 -17.7 -24.9 32 30 A V E -F 19 0B 60 -2,-0.5 2,-0.5 -13,-0.3 -13,-0.2 -0.337 24.0-138.4 -65.5 145.6 19.9 -16.3 -25.5 33 31 A V - 0 0 0 -15,-1.9 -17,-3.5 -19,-0.3 -16,-0.6 -0.915 9.0-155.7-112.0 128.5 17.6 -16.2 -22.4 34 32 A H S S+ 0 0 35 22,-1.5 2,-0.3 21,-0.6 22,-0.2 0.973 79.4 7.2 -62.6 -53.1 14.0 -17.2 -22.5 35 33 A S E -G 55 0C 0 20,-2.0 20,-2.7 23,-0.3 2,-0.4 -0.958 54.1-157.5-136.2 150.5 13.0 -15.1 -19.5 36 34 A F E +G 54 0C 1 330,-1.4 2,-0.2 -2,-0.3 18,-0.2 -0.997 31.1 154.4-123.9 127.4 14.5 -12.5 -17.0 37 35 A R E +G 53 0C 12 16,-0.9 16,-3.3 -2,-0.4 331,-0.1 -0.755 38.1 57.6-137.6-174.3 12.8 -12.2 -13.6 38 36 A L E - 0 0 2 -2,-0.2 -1,-0.2 14,-0.2 144,-0.1 0.903 69.2-155.5 52.2 55.7 13.6 -11.2 -10.0 39 37 A P E + 0 0 1 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.343 19.2 176.2 -64.4 130.8 14.8 -7.6 -10.7 40 38 A A E -G 51 0C 1 11,-2.3 11,-3.4 142,-0.1 2,-0.5 -0.960 6.1-173.6-138.0 115.4 17.1 -6.0 -8.1 41 39 A L E +G 50 0C 3 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.967 13.9 162.2-119.3 120.9 18.4 -2.5 -9.1 42 40 A V E -G 49 0C 8 7,-2.8 7,-3.0 -2,-0.5 2,-0.5 -0.805 37.3-124.4-133.1 171.0 21.0 -0.8 -6.9 43 41 A N E -G 48 0C 54 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.978 23.1-171.1-120.2 112.0 23.6 2.0 -6.8 44 42 A V E > S-G 47 0C 0 3,-3.7 3,-3.2 -2,-0.5 62,-0.1 -0.899 71.7 -43.7-109.3 105.6 27.2 0.9 -6.0 45 43 A D T 3 S- 0 0 100 -2,-0.7 -1,-0.1 60,-0.4 3,-0.1 0.775 124.6 -39.1 48.7 30.6 29.5 3.8 -5.4 46 44 A G T 3 S+ 0 0 32 1,-0.4 2,-0.5 96,-0.0 -1,-0.3 0.207 116.2 115.1 106.9 -19.2 28.1 5.5 -8.5 47 45 A V E < -G 44 0C 0 -3,-3.2 -3,-3.7 27,-0.1 2,-0.6 -0.754 62.9-138.1 -88.7 128.6 27.7 2.4 -10.6 48 46 A M E -GH 43 72C 1 24,-1.6 24,-2.1 -2,-0.5 2,-0.4 -0.772 25.4-167.6 -85.0 121.9 24.1 1.4 -11.4 49 47 A V E -GH 42 71C 0 -7,-3.0 -7,-2.8 -2,-0.6 2,-0.6 -0.963 12.4-166.8-120.8 130.1 23.8 -2.4 -11.0 50 48 A A E -GH 41 70C 0 20,-2.9 20,-1.9 -2,-0.4 2,-0.3 -0.941 8.9-174.3-115.5 112.6 20.9 -4.5 -12.2 51 49 A I E +GH 40 69C 1 -11,-3.4 -11,-2.3 -2,-0.6 2,-0.3 -0.815 17.2 143.5-106.7 145.8 20.7 -8.1 -10.9 52 50 A A E - H 0 68C 0 16,-1.7 16,-2.2 -2,-0.3 2,-0.3 -0.982 49.5 -76.7-166.1 171.3 18.1 -10.7 -12.1 53 51 A D E -GH 37 67C 0 -16,-3.3 -16,-0.9 -2,-0.3 2,-0.7 -0.660 28.8-153.0 -81.6 136.8 17.3 -14.3 -12.9 54 52 A A E -GH 36 66C 0 12,-2.9 12,-1.7 -2,-0.3 2,-1.1 -0.939 14.3-173.1-107.8 100.0 18.6 -15.6 -16.2 55 53 A R E -GH 35 65C 3 -20,-2.7 -20,-2.0 -2,-0.7 -21,-0.6 -0.785 4.1-171.0 -98.4 90.7 16.0 -18.4 -16.9 56 54 A Y S S+ 0 0 7 -2,-1.1 -22,-1.5 8,-1.1 -1,-0.2 0.868 71.2 15.3 -51.4 -52.6 17.6 -19.9 -20.0 57 55 A E S S+ 0 0 90 7,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.786 127.1 0.2 -98.5 -33.5 14.9 -22.3 -21.2 58 56 A T - 0 0 51 6,-0.3 -23,-0.3 2,-0.2 -1,-0.2 -0.909 58.1-120.4-149.1 168.0 11.6 -21.5 -19.6 59 57 A S S S+ 0 0 15 305,-0.4 4,-0.1 -2,-0.3 306,-0.1 0.464 73.2 124.9 -90.7 -6.2 10.1 -19.1 -17.1 60 58 A F - 0 0 73 1,-0.1 3,-0.4 2,-0.1 -2,-0.2 -0.312 68.4-130.4 -54.5 129.5 9.2 -22.1 -14.9 61 59 A D S S+ 0 0 52 1,-0.3 2,-1.4 58,-0.0 -1,-0.1 0.891 99.9 59.3 -51.8 -44.4 10.7 -21.5 -11.5 62 60 A N S S+ 0 0 8 57,-0.2 -1,-0.3 2,-0.0 2,-0.2 -0.465 90.1 89.3 -92.2 68.1 12.3 -24.9 -11.3 63 61 A S S S- 0 0 7 -2,-1.4 2,-0.5 -3,-0.4 30,-0.2 -0.700 88.9 -45.8-142.0-171.4 14.5 -24.8 -14.4 64 62 A L + 0 0 11 28,-0.5 -8,-1.1 -2,-0.2 -7,-0.4 -0.534 66.7 164.2 -71.2 118.7 18.0 -23.8 -15.5 65 63 A I E +Hi 55 95C 0 29,-1.5 31,-1.3 -2,-0.5 2,-0.3 -0.996 20.7 178.8-143.8 136.7 18.9 -20.4 -14.0 66 64 A D E -H 54 0C 0 -12,-1.7 -12,-2.9 -2,-0.4 2,-0.7 -0.840 40.0-105.9-123.0 162.8 22.0 -18.3 -13.4 67 65 A T E -HJ 53 85C 0 18,-2.6 17,-2.5 -2,-0.3 18,-1.3 -0.839 38.7-159.5 -95.3 114.2 22.0 -14.9 -11.8 68 66 A V E -HJ 52 83C 0 -16,-2.2 -16,-1.7 -2,-0.7 2,-0.3 -0.471 6.8-166.3 -89.6 164.7 22.7 -12.2 -14.5 69 67 A A E -HJ 51 82C 0 13,-2.0 13,-2.0 -18,-0.2 2,-0.4 -0.969 8.8-176.1-153.0 133.5 24.0 -8.7 -14.0 70 68 A K E -HJ 50 81C 18 -20,-1.9 -20,-2.9 -2,-0.3 2,-0.3 -0.981 13.6-169.1-127.0 140.4 24.1 -5.6 -16.2 71 69 A Y E -HJ 49 80C 30 9,-2.1 9,-2.3 -2,-0.4 2,-0.3 -0.937 5.1-160.0-133.5 157.3 25.8 -2.4 -15.1 72 70 A S E -H 48 0C 3 -24,-2.1 -24,-1.6 -2,-0.3 7,-0.1 -0.913 21.8-173.4-133.1 158.5 26.0 1.2 -16.3 73 71 A V S S+ 0 0 62 5,-0.5 -1,-0.1 -2,-0.3 6,-0.1 0.444 93.2 54.4-122.3 -12.7 28.2 4.2 -15.8 74 72 A D S S- 0 0 49 4,-0.5 3,-0.1 -26,-0.1 -27,-0.1 -0.071 121.4 -98.3-111.1 26.6 25.9 6.6 -17.8 75 73 A D S S- 0 0 49 1,-0.2 4,-0.1 2,-0.1 -28,-0.0 0.926 89.6 -33.8 56.5 52.7 22.7 5.9 -15.8 76 74 A G S S+ 0 0 7 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.608 109.2 110.6 84.6 13.2 21.2 3.3 -18.1 77 75 A E S S+ 0 0 137 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.758 92.5 8.6 -87.0 -30.2 22.3 4.7 -21.4 78 76 A T S S- 0 0 73 2,-0.0 -4,-0.5 0, 0.0 -5,-0.5 -0.988 73.4-161.4-149.3 143.3 24.7 1.8 -22.0 79 77 A W - 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