==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-NOV-05 2F24 . COMPND 2 MOLECULE: SIALIDASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.G.CHAVAS,R.KATO,P.FUSI,C.TRINGALI,B.VENERANDO, . 359 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 39.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 4 0 3 2 4 3 3 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 . 0 0 4 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 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 3 A S 0 0 2 0, 0.0 356,-0.2 0, 0.0 355,-0.1 0.000 360.0 360.0 360.0 122.5 2.2 30.5 27.7 2 4 A L + 0 0 145 354,-0.6 2,-0.3 355,-0.1 355,-0.1 0.998 360.0 41.7 -63.7 -65.4 5.6 31.6 26.4 3 5 A P S S- 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.668 76.5-174.3 -86.9 138.8 5.4 35.2 27.6 4 6 A V - 0 0 48 -2,-0.3 348,-0.2 348,-0.1 3,-0.1 -0.911 32.1-136.7-129.8 158.1 3.9 35.9 31.1 5 7 A L S S+ 0 0 33 346,-2.1 2,-0.3 -2,-0.3 347,-0.2 0.825 89.1 6.4 -79.3 -32.8 3.0 39.0 33.1 6 8 A Q E +A 351 0A 8 345,-1.7 345,-2.3 52,-0.1 2,-0.3 -0.985 49.7 178.6-156.8 140.5 4.5 37.6 36.3 7 9 A K E +A 350 0A 126 -2,-0.3 2,-0.4 343,-0.2 343,-0.2 -0.913 25.6 155.4-142.0 110.0 6.5 34.7 37.7 8 10 A E E -A 349 0A 73 341,-2.4 341,-3.1 -2,-0.3 2,-0.6 -0.991 43.6-127.2-145.2 133.2 7.3 34.8 41.4 9 11 A S E +A 348 0A 37 -2,-0.4 339,-0.3 339,-0.2 3,-0.1 -0.671 28.9 175.8 -76.4 116.8 8.1 32.2 44.0 10 12 A V E + 0 0 4 337,-2.1 2,-0.3 -2,-0.6 338,-0.2 0.577 68.6 32.6-100.2 -11.3 5.6 32.9 46.8 11 13 A F E +A 347 0A 2 336,-1.4 336,-2.4 7,-0.1 2,-0.4 -0.984 69.9 177.9-144.0 131.2 6.6 30.0 49.1 12 14 A Q E +A 346 0A 118 -2,-0.3 334,-0.2 334,-0.2 2,-0.2 -0.999 9.5 157.4-140.4 141.1 10.1 28.6 49.4 13 15 A S > - 0 0 23 332,-3.0 3,-2.1 -2,-0.4 5,-0.2 -0.761 29.4-159.8-165.4 113.3 11.6 25.8 51.5 14 16 A G T 3 S+ 0 0 67 1,-0.3 332,-0.1 -2,-0.2 331,-0.1 0.652 103.1 56.7 -66.6 -12.8 14.7 23.7 51.0 15 17 A A T 3 S- 0 0 56 330,-0.1 -1,-0.3 25,-0.1 330,-0.1 0.242 118.4-114.0 -99.7 9.9 13.1 21.3 53.4 16 18 A H < + 0 0 68 -3,-2.1 -2,-0.1 329,-0.1 329,-0.1 0.879 63.9 153.0 58.6 40.1 10.0 21.0 51.3 17 19 A A + 0 0 13 328,-0.1 22,-2.8 21,-0.1 2,-0.5 0.749 53.1 64.1 -71.8 -24.6 8.0 22.7 54.0 18 20 A Y E +D 38 0B 34 326,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.900 62.3 135.7-111.5 127.0 5.4 24.1 51.6 19 21 A R E +D 37 0B 68 18,-1.7 18,-3.3 -2,-0.5 328,-0.1 -0.921 38.4 53.2-151.6 173.9 3.1 22.0 49.4 20 22 A I E - 0 0 12 -2,-0.3 135,-0.2 16,-0.2 -1,-0.2 0.979 67.6-150.4 58.0 70.6 -0.5 21.7 48.2 21 23 A P E - 0 0 1 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.325 16.9-175.9 -71.7 149.6 -1.3 25.1 46.7 22 24 A A E -D 35 0B 0 13,-1.8 13,-3.2 133,-0.1 2,-0.4 -0.983 6.1-163.8-144.3 131.6 -4.8 26.7 46.6 23 25 A L E -D 34 0B 0 -2,-0.3 2,-0.4 11,-0.2 133,-0.3 -0.962 5.6-175.0-123.3 137.4 -5.6 30.0 44.9 24 26 A L E -D 33 0B 6 9,-2.0 9,-2.1 -2,-0.4 2,-0.4 -0.986 11.5-152.1-135.3 126.1 -8.7 32.2 45.3 25 27 A Y E -D 32 0B 25 -2,-0.4 7,-0.2 7,-0.2 299,-0.1 -0.812 3.3-155.4 -97.5 134.1 -9.5 35.4 43.4 26 28 A L E >> -D 31 0B 5 5,-2.9 4,-1.9 -2,-0.4 5,-1.4 -0.929 7.0-164.5-108.4 105.3 -11.7 38.1 45.0 27 29 A P T 45S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.773 83.9 46.7 -61.8 -33.2 -13.3 40.0 42.1 28 30 A G T 45S+ 0 0 62 1,-0.2 -2,-0.0 61,-0.1 61,-0.0 0.935 121.5 35.0 -76.5 -48.1 -14.4 43.1 44.1 29 31 A Q T 45S- 0 0 77 2,-0.1 -1,-0.2 22,-0.0 23,-0.2 0.724 100.0-137.4 -75.5 -22.5 -11.2 43.6 45.9 30 32 A Q T <5 + 0 0 92 -4,-1.9 22,-2.4 1,-0.2 2,-0.3 0.960 61.2 124.4 59.3 53.2 -9.2 42.4 42.8 31 33 A S E < -DE 26 51B 4 -5,-1.4 -5,-2.9 20,-0.2 2,-0.3 -0.883 53.5-133.3-136.4 165.9 -6.9 40.5 45.1 32 34 A L E -DE 25 50B 1 18,-3.3 18,-2.5 -2,-0.3 2,-0.5 -0.898 3.3-150.8-122.9 152.7 -5.7 36.9 45.4 33 35 A L E -DE 24 49B 0 -9,-2.1 -9,-2.0 -2,-0.3 2,-0.6 -0.994 13.5-162.9-122.2 118.1 -5.4 34.6 48.4 34 36 A A E -DE 23 48B 0 14,-2.8 14,-1.9 -2,-0.5 2,-0.3 -0.932 11.1-174.0-107.3 117.4 -2.6 32.0 48.1 35 37 A F E +DE 22 47B 0 -13,-3.2 -13,-1.8 -2,-0.6 2,-0.3 -0.737 8.6 164.4-107.8 157.0 -2.9 29.1 50.5 36 38 A A E - E 0 46B 0 10,-1.6 10,-2.8 -2,-0.3 2,-0.4 -0.972 38.2-104.7-163.8 158.8 -0.5 26.3 51.1 37 39 A E E -DE 19 45B 19 -18,-3.3 -18,-1.7 -2,-0.3 2,-0.5 -0.734 29.3-154.5 -88.4 139.9 0.2 23.6 53.7 38 40 A Q E -DE 18 44B 50 6,-3.0 6,-2.0 -2,-0.4 -20,-0.2 -0.974 12.3-164.2-119.1 117.6 3.3 24.2 55.9 39 41 A R 0 0 112 -22,-2.8 -22,-0.1 -2,-0.5 -23,-0.0 -0.404 360.0 360.0 -93.8 173.7 4.9 21.1 57.3 40 42 A A 0 0 118 -2,-0.1 -23,-0.1 -25,-0.0 -1,-0.1 0.969 360.0 360.0 -68.1 360.0 7.4 20.7 60.2 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 49 A A 0 0 104 0, 0.0 2,-0.1 0, 0.0 34,-0.1 0.000 360.0 360.0 360.0 156.8 1.8 20.3 63.5 43 50 A E + 0 0 26 -6,-0.1 34,-2.8 1,-0.0 2,-0.3 -0.371 360.0 176.0 -61.0 129.8 0.9 20.8 59.9 44 51 A L E -E 38 0B 28 -6,-2.0 -6,-3.0 32,-0.2 2,-0.5 -0.795 31.7-109.9-130.9 172.4 -0.9 24.1 59.3 45 52 A I E -E 37 0B 0 22,-0.3 22,-3.0 25,-0.3 2,-0.2 -0.918 32.5-167.5-108.2 128.6 -2.3 26.2 56.5 46 53 A V E -EF 36 66B 0 -10,-2.8 -10,-1.6 -2,-0.5 2,-0.3 -0.711 2.0-160.0-110.1 166.4 -0.5 29.4 55.7 47 54 A L E -EF 35 65B 14 18,-2.6 18,-2.4 -2,-0.2 2,-0.4 -0.998 13.9-165.3-149.8 148.7 -1.6 32.3 53.5 48 55 A R E -E 34 0B 45 -14,-1.9 -14,-2.8 -2,-0.3 2,-0.3 -0.998 17.5-146.2-134.3 128.6 -0.3 35.3 51.5 49 56 A R E -E 33 0B 20 14,-0.4 13,-3.5 -2,-0.4 2,-0.4 -0.751 16.8-172.4 -94.4 143.0 -2.6 38.0 50.3 50 57 A G E -EG 32 61B 0 -18,-2.5 -18,-3.3 -2,-0.3 2,-0.4 -0.983 11.4-150.4-141.6 128.3 -1.8 39.7 47.0 51 58 A D E -EG 31 60B 55 9,-1.5 9,-2.6 -2,-0.4 2,-0.7 -0.805 21.7-124.1-100.0 135.0 -3.4 42.8 45.4 52 59 A Y E - G 0 59B 35 -22,-2.4 2,-1.0 -2,-0.4 7,-0.2 -0.669 24.1-152.3 -75.8 115.0 -3.5 43.2 41.6 53 60 A D E >>> - G 0 58B 41 5,-3.2 4,-1.7 -2,-0.7 5,-1.1 -0.809 5.7-163.6 -93.1 101.4 -1.9 46.6 41.0 54 61 A A T 345S+ 0 0 65 -2,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.890 83.8 58.6 -50.7 -50.2 -3.4 47.9 37.8 55 62 A P T 345S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.806 124.7 22.5 -53.2 -32.0 -0.7 50.6 37.1 56 63 A T T <45S- 0 0 61 -3,-1.0 -2,-0.2 2,-0.2 3,-0.1 0.433 97.2-135.1-113.7 -2.8 2.0 47.9 37.0 57 64 A H T <5 + 0 0 75 -4,-1.7 2,-0.3 -3,-0.3 -3,-0.2 0.889 66.3 119.8 43.3 49.9 -0.3 44.9 36.2 58 65 A Q E < -G 53 0B 58 -5,-1.1 -5,-3.2 -7,-0.1 2,-0.6 -0.950 68.4-118.4-136.0 151.8 1.5 42.9 38.9 59 66 A V E -G 52 0B 3 -2,-0.3 2,-1.0 -7,-0.2 -7,-0.2 -0.855 23.1-146.8 -95.7 122.8 0.3 41.2 42.0 60 67 A Q E -G 51 0B 111 -9,-2.6 -9,-1.5 -2,-0.6 2,-0.3 -0.784 16.6-148.3 -92.6 102.0 1.9 42.7 45.1 61 68 A W E -G 50 0B 26 -2,-1.0 -11,-0.3 -11,-0.2 2,-0.1 -0.519 8.9-148.6 -75.8 133.8 2.2 39.8 47.5 62 69 A Q - 0 0 89 -13,-3.5 -1,-0.1 -2,-0.3 0, 0.0 -0.349 37.8 -61.7 -92.3 175.3 2.0 40.6 51.2 63 70 A A - 0 0 78 1,-0.1 -14,-0.4 -2,-0.1 -1,-0.2 -0.236 58.4-103.3 -61.3 144.3 3.7 38.9 54.2 64 71 A Q - 0 0 69 -16,-0.1 2,-0.3 -3,-0.1 -16,-0.2 -0.372 41.3-176.3 -68.3 143.1 2.9 35.2 54.9 65 72 A E E -F 47 0B 133 -18,-2.4 -18,-2.6 -2,-0.1 2,-0.3 -0.997 26.5-118.0-143.5 145.1 0.6 34.5 57.8 66 73 A V E -F 46 0B 65 -2,-0.3 2,-1.8 -20,-0.2 -20,-0.3 -0.621 23.5-129.0 -81.1 138.9 -0.7 31.3 59.4 67 74 A V > - 0 0 7 -22,-3.0 3,-1.4 -2,-0.3 -22,-0.3 -0.655 33.0-177.6 -87.5 80.0 -4.4 30.8 59.3 68 75 A A T 3 S+ 0 0 45 -2,-1.8 -1,-0.2 1,-0.3 -22,-0.0 0.798 74.4 55.2 -48.7 -39.5 -4.6 30.1 63.0 69 76 A Q T 3 S+ 0 0 81 1,-0.2 2,-2.3 -3,-0.2 -1,-0.3 0.756 86.2 84.3 -70.2 -26.0 -8.3 29.4 63.0 70 77 A A S < S+ 0 0 0 -3,-1.4 -25,-0.3 -25,-0.2 2,-0.3 -0.401 81.0 75.9 -79.5 67.0 -8.0 26.7 60.4 71 78 A R - 0 0 111 -2,-2.3 2,-0.4 -27,-0.1 5,-0.1 -0.956 65.0-135.8-171.5 151.4 -7.1 23.9 62.8 72 79 A L > - 0 0 33 -2,-0.3 3,-2.4 26,-0.1 26,-0.1 -0.914 45.9 -93.9-112.0 138.9 -8.5 21.5 65.5 73 80 A D T 3 S+ 0 0 166 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 -0.250 112.5 10.9 -52.6 133.2 -6.6 20.9 68.7 74 81 A G T 3 S+ 0 0 65 1,-0.2 26,-3.1 25,-0.1 27,-0.4 0.563 111.5 107.1 74.1 8.0 -4.3 17.9 68.3 75 82 A H E < -H 99 0C 45 -3,-2.4 2,-0.4 24,-0.3 -1,-0.2 -0.850 65.5-130.4-120.3 156.1 -4.9 17.7 64.6 76 83 A R E -H 98 0C 107 22,-3.3 22,-2.0 -2,-0.3 2,-0.4 -0.837 25.7-136.5-101.0 138.9 -2.9 18.5 61.5 77 84 A S E +H 97 0C 0 -34,-2.8 2,-0.3 -2,-0.4 20,-0.2 -0.801 32.9 157.7 -99.4 138.9 -4.5 20.7 58.9 78 85 A M E +H 96 0C 27 18,-2.4 18,-2.9 -2,-0.4 -33,-0.1 -0.949 37.7 41.8-151.6 170.9 -4.3 19.9 55.2 79 86 A N E - 0 0 17 -2,-0.3 -1,-0.2 16,-0.2 73,-0.2 0.947 63.4-148.7 55.8 61.2 -5.9 20.4 51.7 80 87 A P E - 0 0 0 0, 0.0 75,-2.2 0, 0.0 15,-0.2 -0.395 18.1-177.1 -60.1 132.2 -6.9 24.1 51.7 81 88 A a E -H 94 0C 0 13,-2.5 13,-2.5 73,-0.2 75,-0.2 -0.782 7.8-168.9-136.2 88.1 -10.0 24.4 49.5 82 89 A P E -H 93 0C 0 0, 0.0 75,-2.8 0, 0.0 2,-0.3 -0.430 9.0-179.7 -85.5 155.3 -11.2 28.0 49.2 83 90 A L E -H 92 0C 7 9,-2.3 9,-3.1 73,-0.2 2,-0.5 -0.992 18.8-146.4-151.7 141.3 -14.3 29.4 47.7 84 91 A Y E -H 91 0C 62 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.948 15.3-145.8-109.6 124.1 -15.8 32.9 47.2 85 92 A D > - 0 0 0 5,-2.8 4,-3.3 -2,-0.5 5,-0.2 -0.823 9.0-166.4 -92.9 108.2 -19.5 33.2 47.6 86 93 A A T 4 S+ 0 0 41 -2,-0.8 -1,-0.2 1,-0.2 79,-0.0 0.711 83.9 57.1 -67.3 -21.7 -20.6 35.9 45.1 87 94 A Q T 4 S+ 0 0 109 78,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.893 126.0 16.0 -77.6 -39.8 -24.1 36.2 46.6 88 95 A T T 4 S- 0 0 78 -3,-0.2 -2,-0.2 2,-0.2 3,-0.1 0.700 93.1-127.4-104.8 -26.4 -22.9 37.1 50.1 89 96 A G < + 0 0 26 -4,-3.3 36,-0.3 1,-0.3 -3,-0.1 0.313 62.6 141.7 92.0 -7.4 -19.2 38.0 49.5 90 97 A T - 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