==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-96 1EUU . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA VIRIDIFACIENS; . AUTHOR A.GASKELL,S.J.CRENNELL,G.L.TAYLOR . 601 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.7 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+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 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 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 PARALLEL BRIDGES PER LADDER . 6 4 1 5 6 5 6 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 6 1 1 0 1 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 47 A G 0 0 97 0, 0.0 3,-0.1 0, 0.0 350,-0.0 0.000 360.0 360.0 360.0-125.3 3.5 7.4 -4.0 2 48 A E - 0 0 171 1,-0.1 351,-0.2 352,-0.0 352,-0.2 -0.469 360.0-105.4 -70.8 134.1 5.7 4.5 -5.0 3 49 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.393 38.4-162.2 -63.7 137.9 5.0 1.3 -2.9 4 50 A L + 0 0 63 347,-0.1 347,-1.3 -2,-0.1 350,-0.2 -0.974 26.1 147.9-131.0 136.2 7.6 0.4 -0.3 5 51 A Y E +A 350 0A 56 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.714 15.6 158.4-164.9 109.4 8.3 -2.8 1.6 6 52 A T E -A 349 0A 76 343,-1.8 343,-2.2 -2,-0.2 2,-0.3 -0.892 13.7-171.0-133.8 149.9 11.8 -3.7 2.7 7 53 A E E +A 348 0A 70 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.959 11.5 173.8-143.1 163.3 13.1 -6.0 5.5 8 54 A Q E -A 347 0A 69 339,-2.1 339,-3.2 -2,-0.3 2,-0.4 -0.909 34.1-107.9-163.6 146.4 16.2 -7.1 7.3 9 55 A D E -A 346 0A 66 -2,-0.3 337,-0.2 337,-0.3 3,-0.1 -0.684 22.3-178.0 -86.1 136.6 17.0 -9.3 10.4 10 56 A L E S+ 0 0 13 335,-1.7 2,-0.4 -2,-0.4 336,-0.2 0.754 78.1 25.4 -97.3 -31.6 18.0 -7.8 13.7 11 57 A A E -A 345 0A 3 334,-2.0 334,-1.4 10,-0.0 2,-0.5 -0.998 63.1-168.6-138.3 133.9 18.4 -11.1 15.4 12 58 A V E > -A 344 0A 57 -2,-0.4 3,-2.6 332,-0.2 332,-0.2 -0.989 36.2-108.1-126.2 122.2 19.2 -14.6 14.0 13 59 A N T 3 S+ 0 0 35 330,-2.8 7,-0.2 -2,-0.5 3,-0.1 -0.178 104.6 18.0 -50.2 124.7 18.8 -17.6 16.3 14 60 A G T 3 S+ 0 0 48 4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.054 107.5 96.9 100.8 -23.7 22.2 -19.0 17.2 15 61 A R S X S+ 0 0 158 -3,-2.6 3,-0.9 1,-0.2 -1,-0.3 -0.622 77.1 20.0-101.7 156.6 24.1 -15.9 16.2 16 62 A E T 3 S- 0 0 135 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 0.724 131.5 -49.8 62.4 25.3 25.4 -13.0 18.4 17 63 A G T 3 S+ 0 0 70 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.338 112.2 80.1 104.6 -9.6 25.3 -14.9 21.6 18 64 A F < - 0 0 36 -3,-0.9 -4,-2.4 -6,-0.2 -1,-0.1 -0.993 56.8-147.8-136.4 144.1 21.9 -16.6 22.1 19 65 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.763 91.1 34.0 -74.7 -25.9 20.3 -19.9 20.7 20 66 A N - 0 0 33 21,-0.5 21,-3.2 -7,-0.2 2,-0.4 -0.997 58.4-177.7-139.9 135.8 16.8 -18.3 20.8 21 67 A Y E +D 40 0B 2 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.994 26.4 144.1-128.2 129.6 15.5 -14.7 20.1 22 68 A R E +D 39 0B 54 17,-1.2 17,-3.2 -2,-0.4 63,-0.1 -0.941 28.5 57.6-155.5 179.3 11.8 -14.0 20.5 23 69 A I E - 0 0 1 -2,-0.3 -1,-0.2 15,-0.2 16,-0.2 0.985 64.4-143.4 52.7 82.3 9.1 -11.5 21.6 24 70 A P E - 0 0 2 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.294 20.7-179.8 -73.6 150.3 9.5 -8.2 19.6 25 71 A A E -D 37 0B 0 12,-1.6 12,-2.6 135,-0.1 2,-0.4 -0.945 8.7-170.3-149.8 122.7 8.9 -4.6 20.8 26 72 A L E +D 36 0B 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.919 11.9 155.9-120.1 145.2 9.4 -1.5 18.6 27 73 A T E -D 35 0B 0 8,-2.1 8,-2.2 -2,-0.4 2,-0.4 -0.931 33.2-131.4-155.6 172.3 9.4 2.2 19.3 28 74 A V E -D 34 0B 9 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.989 27.5-137.6-130.6 120.2 10.7 5.6 18.1 29 75 A T > - 0 0 4 4,-2.9 3,-2.9 -2,-0.4 4,-0.1 -0.380 32.1 -99.5 -72.3 162.3 12.4 7.9 20.6 30 76 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 0.749 124.6 57.5 -55.4 -24.7 11.7 11.6 20.7 31 77 A D T 3 S- 0 0 144 2,-0.1 3,-0.1 103,-0.1 -2,-0.0 0.355 124.0-103.5 -85.1 1.4 14.9 12.2 18.7 32 78 A G S < S+ 0 0 27 -3,-2.9 29,-0.3 1,-0.3 2,-0.2 0.506 73.9 142.9 91.2 3.0 13.6 10.0 15.9 33 79 A D - 0 0 26 -4,-0.1 -4,-2.9 27,-0.1 2,-0.4 -0.517 47.3-131.4 -75.3 144.3 15.8 7.0 16.8 34 80 A L E -DE 28 58B 2 24,-2.5 24,-2.5 -6,-0.2 2,-0.4 -0.815 20.0-162.1 -97.4 139.6 14.2 3.6 16.3 35 81 A L E -DE 27 57B 0 -8,-2.2 -8,-2.1 -2,-0.4 2,-0.5 -0.989 6.3-171.9-125.1 127.5 14.5 1.1 19.2 36 82 A A E -DE 26 56B 0 20,-2.5 20,-2.9 -2,-0.4 2,-0.3 -0.988 7.0-179.4-120.4 125.2 14.0 -2.6 18.8 37 83 A S E +DE 25 55B 0 -12,-2.6 -12,-1.6 -2,-0.5 2,-0.3 -0.930 8.4 158.1-121.9 148.3 14.0 -4.8 22.0 38 84 A Y E - E 0 54B 0 16,-0.6 16,-2.8 -2,-0.3 2,-0.2 -0.946 42.1 -89.2-159.5 163.8 13.5 -8.6 22.1 39 85 A D E -DE 22 53B 0 -17,-3.2 -17,-1.2 -2,-0.3 2,-0.6 -0.601 23.7-149.5 -79.5 151.6 14.2 -11.6 24.5 40 86 A G E -DE 21 52B 0 12,-2.4 12,-2.0 43,-0.3 -19,-0.2 -0.976 17.7-162.8-119.8 105.7 17.5 -13.4 24.3 41 87 A R > - 0 0 3 -21,-3.2 3,-1.3 -2,-0.6 -21,-0.5 -0.778 15.9-177.8 -99.0 95.5 16.6 -17.0 25.5 42 88 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.736 93.8 33.4 -61.4 -20.6 19.8 -19.1 26.5 43 89 A T T 3 S- 0 0 77 2,-0.2 3,-0.1 -23,-0.1 -2,-0.0 0.300 111.1-118.9-113.2 -3.6 17.5 -22.1 27.1 44 90 A G S < S+ 0 0 33 -3,-1.3 2,-0.2 1,-0.2 -23,-0.1 0.556 79.3 103.5 69.6 22.0 14.9 -21.3 24.4 45 91 A I - 0 0 95 1,-0.2 -1,-0.2 -25,-0.1 -2,-0.2 -0.725 67.6-119.8-130.0 161.6 12.1 -21.0 26.9 46 92 A D > + 0 0 82 1,-0.3 3,-1.8 -2,-0.2 -1,-0.2 -0.032 66.9 0.1 -83.1-158.2 10.1 -18.2 28.5 47 93 A A T 3 S+ 0 0 20 1,-0.3 62,-0.3 3,-0.1 -1,-0.3 -0.341 121.0 36.1 -57.7 146.9 9.9 -17.5 32.3 48 94 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 59,-0.1 -0.988 101.3 105.0 -71.5 -6.1 11.3 -19.0 34.7 49 95 A G S < S- 0 0 7 -3,-1.8 2,-3.2 1,-0.2 55,-0.1 -0.100 87.9-104.3 -45.9 140.2 14.1 -19.3 32.2 50 96 A P + 0 0 12 0, 0.0 24,-0.3 0, 0.0 32,-0.2 -0.173 61.6 164.2 -64.9 54.5 17.2 -17.1 32.5 51 97 A N - 0 0 0 -2,-3.2 32,-2.5 -10,-0.1 2,-0.3 -0.312 24.9-147.0 -81.2 158.0 16.2 -14.8 29.7 52 98 A S E -E 40 0B 10 -12,-2.0 -12,-2.4 30,-0.2 2,-0.6 -0.898 13.4-127.3-125.3 151.1 17.6 -11.3 28.9 53 99 A I E -EF 39 72B 0 19,-2.9 18,-3.2 -2,-0.3 19,-1.4 -0.897 35.1-172.9 -99.0 116.1 16.1 -8.1 27.4 54 100 A L E -EF 38 70B 2 -16,-2.8 -16,-0.6 -2,-0.6 2,-0.3 -0.471 7.5-158.6-101.8 174.2 18.2 -7.0 24.5 55 101 A Q E -EF 37 69B 11 14,-1.6 14,-3.0 -18,-0.2 2,-0.4 -0.938 9.9-169.0-160.2 135.4 18.1 -3.8 22.4 56 102 A R E -E 36 0B 39 -20,-2.9 -20,-2.5 -2,-0.3 2,-0.4 -0.949 18.0-150.9-122.5 143.1 19.3 -2.6 18.9 57 103 A R E -E 35 0B 49 -2,-0.4 9,-3.5 10,-0.3 2,-0.5 -0.956 8.7-162.7-122.6 137.3 19.2 1.0 17.9 58 104 A S E +E 34 0B 1 -24,-2.5 -24,-2.5 -2,-0.4 3,-0.3 -0.969 10.3 176.6-118.7 122.2 18.9 2.8 14.5 59 105 A T S S+ 0 0 102 -2,-0.5 -1,-0.1 -26,-0.2 6,-0.1 0.413 77.4 59.8-100.7 -0.7 19.9 6.4 14.2 60 106 A D S > S- 0 0 41 4,-0.5 3,-0.9 -26,-0.1 -1,-0.2 -0.236 125.7 -82.0-122.3 40.3 19.2 6.6 10.4 61 107 A G T 3 S- 0 0 32 -3,-0.3 271,-0.1 -29,-0.3 -2,-0.1 0.435 88.8 -52.1 79.0 3.5 15.5 5.7 10.3 62 108 A G T 3 S+ 0 0 4 2,-0.3 -1,-0.2 -28,-0.1 3,-0.1 0.425 110.3 108.9 111.9 2.1 15.9 2.0 10.4 63 109 A R S < S+ 0 0 186 -3,-0.9 2,-0.3 1,-0.1 -2,-0.1 0.871 85.3 23.5 -74.1 -50.2 18.4 1.4 7.6 64 110 A T S S- 0 0 92 -4,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.916 76.1-153.1-116.9 145.6 21.4 0.4 9.7 65 111 A W - 0 0 18 -2,-0.3 -7,-0.2 -7,-0.1 3,-0.1 -0.991 10.1-129.8-127.0 137.5 21.2 -1.0 13.2 66 112 A G - 0 0 33 -9,-3.5 3,-0.1 -2,-0.4 -8,-0.0 0.090 44.7 -59.7 -71.9-173.7 23.7 -0.8 16.0 67 113 A E - 0 0 109 1,-0.1 2,-0.6 -11,-0.1 -10,-0.3 -0.282 56.6 -98.8 -73.0 151.3 25.1 -3.5 18.3 68 114 A Q - 0 0 29 -12,-0.1 2,-0.2 -3,-0.1 -12,-0.2 -0.628 48.6-174.9 -69.9 109.4 22.9 -5.7 20.5 69 115 A Q E -F 55 0B 120 -14,-3.0 -14,-1.6 -2,-0.6 2,-0.4 -0.688 23.9-111.9-107.2 162.0 23.1 -4.2 24.0 70 116 A V E +F 54 0B 83 -2,-0.2 -16,-0.2 -16,-0.2 3,-0.2 -0.824 29.1 173.3-100.9 133.2 21.5 -5.5 27.2 71 117 A V E S+ 0 0 8 -18,-3.2 2,-0.3 -2,-0.4 -17,-0.2 0.712 81.3 9.5-100.6 -39.6 18.7 -3.7 29.0 72 118 A S E S-F 53 0B 6 -19,-1.4 -19,-2.9 11,-0.1 -1,-0.4 -0.914 78.1-148.9-147.2 115.3 17.9 -6.3 31.7 73 119 A A - 0 0 66 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.1 -0.756 6.1-146.6 -95.0 132.3 20.4 -9.2 32.2 74 120 A G - 0 0 20 -2,-0.4 2,-0.6 -24,-0.3 8,-0.2 -0.711 15.1-125.4 -94.9 151.0 19.2 -12.6 33.4 75 121 A Q B -G 81 0C 79 6,-1.2 6,-1.6 -2,-0.3 -24,-0.1 -0.872 18.9-173.8-101.5 121.0 21.3 -14.9 35.6 76 122 A T + 0 0 88 -2,-0.6 2,-0.2 4,-0.2 4,-0.2 0.749 68.7 70.6 -81.9 -28.9 21.9 -18.4 34.3 77 123 A T S S- 0 0 91 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.540 102.1 -44.9 -86.3 156.0 23.7 -19.6 37.4 78 124 A A S S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.411 126.8 47.4 -67.5 134.2 21.8 -20.2 40.7 79 125 A P S S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.394 94.6-145.6 -85.9 131.2 20.0 -18.3 41.8 80 126 A I + 0 0 74 -4,-0.2 2,-0.3 25,-0.1 -4,-0.2 -0.369 20.8 178.8 -60.2 124.1 18.3 -18.1 38.3 81 127 A K B -G 75 0C 78 -6,-1.6 -6,-1.2 -4,-0.1 2,-0.3 -0.990 4.3-175.0-127.4 140.1 16.9 -14.7 37.3 82 128 A G E -H 104 0D 0 22,-2.0 22,-2.5 -2,-0.3 2,-0.4 -0.966 17.7-155.8-141.9 155.8 15.2 -13.9 34.0 83 129 A F E +H 103 0D 20 -32,-2.5 2,-0.3 -2,-0.3 -43,-0.3 -0.995 27.3 169.1-133.0 122.0 13.7 -11.0 32.1 84 130 A S E +H 102 0D 1 18,-1.7 18,-3.2 -2,-0.4 -31,-0.1 -0.954 37.0 21.3-139.4 161.0 11.1 -11.5 29.4 85 131 A D E - 0 0 15 -2,-0.3 73,-0.2 16,-0.2 -1,-0.2 0.982 65.4-150.8 56.6 79.9 8.5 -10.1 27.1 86 132 A P E - 0 0 0 0, 0.0 75,-1.0 0, 0.0 2,-0.3 -0.426 16.0-176.2 -82.9 153.2 9.4 -6.5 26.6 87 133 A S E -Hi 100 161D 0 13,-1.5 13,-3.3 73,-0.3 75,-0.3 -0.922 14.3-145.0-147.8 119.9 6.9 -3.7 25.8 88 134 A Y E -Hi 99 162D 0 73,-1.7 75,-3.1 -2,-0.3 2,-0.4 -0.636 15.0-179.0 -87.9 149.5 7.9 -0.1 25.1 89 135 A L E -H 98 0D 0 9,-2.2 9,-3.3 -2,-0.3 2,-0.5 -0.974 10.1-161.1-147.8 120.2 6.0 3.1 26.1 90 136 A V E -H 97 0D 6 -2,-0.4 2,-1.0 7,-0.2 7,-0.2 -0.943 13.4-143.7-108.1 126.8 7.3 6.5 25.2 91 137 A D > - 0 0 0 5,-3.0 4,-2.8 -2,-0.5 5,-0.2 -0.859 14.4-169.2 -91.2 104.2 6.0 9.6 27.0 92 138 A R T 4 S+ 0 0 95 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.717 82.3 54.4 -68.3 -23.2 5.9 12.1 24.1 93 139 A E T 4 S+ 0 0 115 80,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.937 124.3 19.4 -76.5 -49.2 5.4 14.9 26.5 94 140 A T T 4 S- 0 0 71 2,-0.1 -2,-0.2 104,-0.0 -1,-0.1 0.672 98.6-124.0 -97.7 -19.9 8.3 14.4 28.9 95 141 A G < + 0 0 23 -4,-2.8 39,-0.3 1,-0.3 2,-0.1 0.398 58.3 143.6 93.8 -2.3 10.5 12.2 26.6 96 142 A T - 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