==== 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 1EUS . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA VIRIDIFACIENS; . AUTHOR A.GASKELL,S.J.CRENNELL,G.L.TAYLOR . 358 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 57.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 0.6 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 4 4 3 4 1 0 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 47 A G 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.7 -21.5 49.3 32.9 2 48 A E - 0 0 153 1,-0.1 352,-0.2 352,-0.0 351,-0.2 -0.804 360.0-107.9 -95.9 129.4 -20.0 52.8 32.8 3 49 A P - 0 0 61 0, 0.0 2,-0.4 0, 0.0 349,-0.1 -0.263 35.1-165.5 -56.1 137.4 -16.2 53.1 32.3 4 50 A L + 0 0 64 347,-0.1 347,-1.2 2,-0.0 2,-0.3 -0.997 19.9 154.6-131.8 127.9 -14.2 54.2 35.4 5 51 A Y E +A 350 0A 61 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.854 11.2 154.0-152.8 114.7 -10.6 55.4 35.6 6 52 A T E -A 349 0A 81 343,-2.1 343,-2.4 -2,-0.3 2,-0.3 -0.953 14.0-173.6-138.5 155.6 -9.3 57.7 38.2 7 53 A E E +A 348 0A 67 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.991 7.9 176.8-150.2 153.7 -5.9 58.3 39.8 8 54 A Q E -A 347 0A 76 339,-2.1 339,-2.8 -2,-0.3 2,-0.2 -0.968 35.3-106.0-153.6 147.3 -4.2 60.3 42.6 9 55 A D E -A 346 0A 63 -2,-0.3 337,-0.3 337,-0.2 3,-0.1 -0.551 24.0-176.2 -78.3 141.4 -0.6 60.5 43.8 10 56 A L E S+ 0 0 7 335,-2.8 2,-0.3 1,-0.4 336,-0.2 0.600 76.8 14.1-105.2 -25.9 0.2 58.7 47.1 11 57 A A E -A 345 0A 6 334,-1.8 334,-2.1 10,-0.1 2,-0.4 -0.958 64.6-167.5-151.5 130.9 3.8 59.9 47.3 12 58 A V E > -A 344 0A 46 -2,-0.3 3,-2.3 332,-0.2 332,-0.3 -0.988 38.3 -95.5-126.8 134.8 5.7 62.5 45.4 13 59 A N T 3 S+ 0 0 49 330,-2.7 7,-0.2 -2,-0.4 3,-0.1 -0.199 107.9 15.5 -46.8 122.4 9.4 62.9 45.4 14 60 A G T 3 S+ 0 0 55 4,-1.8 3,-0.3 1,-0.3 2,-0.3 0.216 103.8 100.9 98.2 -15.6 10.6 65.5 47.9 15 61 A R S X S+ 0 0 172 -3,-2.3 3,-0.7 3,-0.2 -1,-0.3 -0.812 75.9 18.3-107.2 150.2 7.4 65.7 50.0 16 62 A E T 3 S- 0 0 129 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.716 130.6 -50.3 69.0 24.5 6.6 64.0 53.3 17 63 A G T 3 S+ 0 0 69 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.288 113.5 81.0 108.1 -13.0 10.2 63.3 54.3 18 64 A F < - 0 0 39 -3,-0.7 -4,-1.8 -6,-0.2 -3,-0.2 -0.989 59.7-145.5-132.5 138.7 12.0 61.5 51.5 19 65 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.744 89.2 26.9 -71.4 -21.1 13.6 63.0 48.4 20 66 A N - 0 0 36 21,-0.5 21,-2.9 -7,-0.2 2,-0.4 -1.000 61.9-168.5-147.1 141.3 12.7 59.9 46.3 21 67 A Y E +D 40 0B 2 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.991 21.6 151.4-129.3 137.4 10.0 57.2 46.4 22 68 A R E +D 39 0B 50 17,-1.3 17,-3.5 -2,-0.4 63,-0.2 -0.989 29.6 54.7-158.0 169.1 9.9 54.0 44.4 23 69 A I E - 0 0 1 -2,-0.3 16,-0.2 15,-0.2 -1,-0.2 0.993 60.4-139.4 66.5 89.2 8.7 50.4 44.2 24 70 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.474 23.3 173.9 -81.6 143.8 5.0 49.8 44.6 25 71 A A E -D 37 0B 0 12,-1.8 12,-3.1 -2,-0.2 2,-0.3 -0.973 11.8-178.4-143.6 134.7 3.2 47.0 46.6 26 72 A L E +D 36 0B 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.995 8.3 153.3-142.2 146.4 -0.6 46.9 47.0 27 73 A T E -D 35 0B 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.4 -0.963 34.9-119.4-162.7 171.0 -3.1 44.7 48.8 28 74 A V E -D 34 0B 7 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.990 27.0-135.6-122.4 130.0 -6.5 44.5 50.4 29 75 A T > - 0 0 2 4,-3.0 3,-2.0 -2,-0.4 67,-0.1 -0.357 29.9-106.6 -77.6 164.4 -6.9 43.5 54.1 30 76 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 0.847 124.6 58.0 -60.7 -29.1 -9.6 41.0 55.1 31 77 A D T 3 S- 0 0 133 64,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.585 123.9-109.4 -73.0 -12.6 -11.4 44.0 56.6 32 78 A G < + 0 0 25 -3,-2.0 29,-0.3 1,-0.3 2,-0.2 0.472 69.8 143.4 97.7 2.0 -11.4 45.5 53.2 33 79 A D - 0 0 27 27,-0.1 -4,-3.0 28,-0.1 2,-0.4 -0.518 48.4-127.6 -74.0 143.7 -8.8 48.3 53.8 34 80 A L E -DE 28 58B 1 24,-2.4 24,-2.5 -6,-0.2 2,-0.5 -0.780 21.8-161.5 -92.9 133.4 -6.4 49.1 51.0 35 81 A L E -DE 27 57B 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.5 -0.981 5.4-170.2-117.7 128.3 -2.7 49.0 51.9 36 82 A A E -DE 26 56B 0 20,-2.8 20,-2.4 -2,-0.5 2,-0.3 -0.969 8.9-177.8-117.5 127.8 -0.0 50.7 49.7 37 83 A S E +DE 25 55B 0 -12,-3.1 -12,-1.8 -2,-0.5 2,-0.3 -0.926 11.1 147.0-125.9 151.4 3.6 50.1 50.4 38 84 A Y E - E 0 54B 0 16,-1.5 16,-3.3 -2,-0.3 2,-0.3 -0.972 45.4 -76.2-168.8 171.9 6.8 51.5 48.8 39 85 A D E -DE 22 53B 0 -17,-3.5 -17,-1.3 -2,-0.3 2,-0.6 -0.614 23.8-155.3 -83.4 143.5 10.4 52.5 49.3 40 86 A G E -DE 21 52B 0 12,-2.3 12,-2.2 -2,-0.3 -19,-0.2 -0.987 22.0-162.4-112.9 119.4 11.4 55.8 51.0 41 87 A R > - 0 0 4 -21,-2.9 3,-1.5 -2,-0.6 -21,-0.5 -0.846 20.5-174.2-118.8 102.5 14.8 56.4 49.6 42 88 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.785 95.8 28.7 -57.4 -35.6 17.2 58.9 51.3 43 89 A T T 3 S- 0 0 88 2,-0.2 3,-0.1 -23,-0.1 8,-0.0 0.101 108.8-119.5-114.4 17.0 19.8 58.7 48.6 44 90 A G S < S+ 0 0 36 -3,-1.5 2,-0.3 1,-0.2 -23,-0.1 0.725 74.7 112.0 50.1 36.6 17.4 57.8 45.8 45 91 A I - 0 0 100 -25,-0.1 -2,-0.2 1,-0.1 -1,-0.2 -0.807 68.0-102.8-134.5 166.1 19.1 54.5 45.1 46 92 A D S > S- 0 0 80 -2,-0.3 3,-2.4 1,-0.2 -1,-0.1 -0.210 71.5 -23.7 -76.5 177.1 18.4 50.7 45.3 47 93 A A T 3 S+ 0 0 23 1,-0.4 62,-0.3 3,-0.1 -1,-0.2 -0.330 125.0 45.4 -54.7 144.8 19.9 48.5 48.0 48 94 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.877 91.9 109.1 -78.0 23.4 22.4 49.0 49.7 49 95 A G S < S- 0 0 5 -3,-2.4 2,-2.6 1,-0.1 55,-0.2 -0.344 87.7-106.5 -57.3 145.9 20.8 52.5 50.0 50 96 A P + 0 0 14 0, 0.0 24,-0.2 0, 0.0 32,-0.2 -0.325 62.2 170.2 -75.4 63.6 19.5 53.1 53.6 51 97 A N - 0 0 0 -2,-2.6 32,-1.9 -10,-0.1 2,-0.3 -0.223 26.4-144.6 -80.0 162.3 15.9 52.7 52.5 52 98 A S E -E 40 0B 11 -12,-2.2 -12,-2.3 30,-0.2 2,-0.6 -0.933 14.8-127.5-124.6 147.2 12.7 52.4 54.5 53 99 A I E -EF 39 72B 0 19,-2.5 18,-2.7 -2,-0.3 19,-1.2 -0.866 35.6-168.9 -94.8 120.7 9.6 50.4 53.8 54 100 A L E -EF 38 70B 2 -16,-3.3 -16,-1.5 -2,-0.6 2,-0.3 -0.740 8.1-162.8-111.3 162.1 6.6 52.8 54.0 55 101 A Q E -EF 37 69B 11 14,-2.2 14,-2.8 -2,-0.3 2,-0.4 -1.000 9.4-171.0-148.1 142.5 2.8 52.3 54.1 56 102 A R E -E 36 0B 44 -20,-2.4 -20,-2.8 -2,-0.3 2,-0.4 -0.978 16.4-150.2-128.8 144.0 -0.4 54.2 53.6 57 103 A R E -E 35 0B 50 -2,-0.4 9,-3.4 10,-0.3 2,-0.5 -0.923 7.5-162.6-120.1 140.6 -3.9 52.9 54.4 58 104 A S E -E 34 0B 0 -24,-2.5 -24,-2.4 -2,-0.4 3,-0.3 -0.990 7.5-179.6-121.4 128.6 -7.3 53.7 52.8 59 105 A T S S+ 0 0 104 -2,-0.5 6,-0.1 5,-0.4 -1,-0.1 0.337 78.2 57.4-106.4 5.1 -10.4 52.8 54.8 60 106 A D S > S- 0 0 67 4,-0.5 3,-0.8 -26,-0.1 -1,-0.2 -0.215 125.5 -81.2-129.2 37.7 -12.9 54.0 52.2 61 107 A G T 3 S- 0 0 36 -3,-0.3 -2,-0.1 -29,-0.3 271,-0.1 0.626 89.5 -51.1 76.5 17.5 -12.0 51.9 49.1 62 108 A G T 3 S+ 0 0 5 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.431 111.3 108.2 101.5 -1.1 -9.0 54.1 47.9 63 109 A R S < S+ 0 0 189 -3,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.931 85.6 24.0 -73.0 -48.4 -10.8 57.5 47.9 64 110 A T S S- 0 0 82 -4,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.938 73.6-153.4-122.0 141.5 -8.9 58.9 50.9 65 111 A W - 0 0 21 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.958 9.0-137.0-121.2 136.7 -5.5 57.8 52.3 66 112 A G - 0 0 36 -9,-3.4 3,-0.1 -2,-0.4 -1,-0.0 -0.039 45.8 -58.7 -75.5-176.1 -4.1 58.0 55.8 67 113 A E - 0 0 105 1,-0.1 2,-0.3 -11,-0.1 -10,-0.3 -0.250 55.3 -97.6 -73.0 154.2 -0.7 59.1 56.8 68 114 A Q - 0 0 22 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.531 47.0-174.5 -69.2 121.7 2.6 57.5 55.7 69 115 A Q E -F 55 0B 115 -14,-2.8 -14,-2.2 -2,-0.3 2,-0.5 -0.878 23.8-114.1-119.9 156.3 3.8 55.2 58.4 70 116 A V E +F 54 0B 84 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.2 -0.789 27.6 174.4 -98.2 126.3 7.0 53.2 58.7 71 117 A V E S+ 0 0 12 -18,-2.7 2,-0.4 -2,-0.5 -1,-0.2 0.867 82.4 9.3 -88.0 -52.9 7.0 49.4 58.5 72 118 A S E S-F 53 0B 6 -19,-1.2 -19,-2.5 11,-0.1 2,-0.5 -0.981 78.2-145.3-132.7 121.0 10.8 48.9 58.5 73 119 A A - 0 0 66 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.770 8.0-143.5 -94.3 126.3 13.1 51.8 59.2 74 120 A G - 0 0 20 -2,-0.5 2,-0.5 -24,-0.2 8,-0.2 -0.241 14.8-128.6 -74.7 166.8 16.5 52.1 57.4 75 121 A Q B -G 81 0C 63 6,-2.6 6,-1.6 -24,-0.1 -24,-0.1 -0.972 19.0-174.6-123.8 113.0 19.5 53.5 59.3 76 122 A T + 0 0 91 -2,-0.5 2,-0.3 4,-0.2 4,-0.2 0.596 67.9 74.0 -82.0 -15.6 21.3 56.4 57.5 77 123 A T S S- 0 0 92 2,-0.2 4,-0.1 4,-0.1 -2,-0.0 -0.746 102.3 -61.2 -96.9 148.4 24.1 56.5 60.1 78 124 A A S S+ 0 0 88 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 -0.540 124.8 57.7 -68.8 134.9 26.8 53.8 60.3 79 125 A P S S- 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.051 96.1-156.5 -67.6 111.0 26.1 50.9 60.8 80 126 A I + 0 0 73 -4,-0.2 2,-0.3 -6,-0.1 -4,-0.2 -0.307 16.8 177.7 -66.9 133.0 24.0 51.6 57.7 81 127 A K B -G 75 0C 50 -6,-1.6 -6,-2.6 -4,-0.1 2,-0.3 -0.996 5.9-167.9-136.2 144.5 20.9 49.4 57.2 82 128 A G E -H 104 0D 0 22,-2.2 22,-2.7 -2,-0.3 2,-0.4 -0.969 12.4-162.1-137.1 150.8 18.3 49.4 54.4 83 129 A F E +H 103 0D 28 -32,-1.9 2,-0.3 -2,-0.3 20,-0.2 -0.991 29.9 155.3-133.6 117.0 14.9 47.9 53.7 84 130 A S E +H 102 0D 0 18,-0.6 18,-2.6 -2,-0.4 -31,-0.1 -0.952 34.0 38.9-139.3 170.7 13.6 47.8 50.1 85 131 A D E - 0 0 17 -2,-0.3 -1,-0.2 16,-0.2 2,-0.2 0.996 66.4-153.2 51.7 75.6 11.4 46.3 47.4 86 132 A P E - 0 0 0 0, 0.0 75,-1.7 0, 0.0 2,-0.4 -0.479 16.6-176.1 -79.8 147.5 8.1 45.4 49.3 87 133 A S E -Hi 100 161D 0 13,-1.5 13,-3.1 73,-0.3 75,-0.3 -0.982 14.3-146.9-140.4 125.6 5.8 42.6 48.4 88 134 A Y E -Hi 99 162D 0 73,-2.2 75,-2.6 -2,-0.4 2,-0.3 -0.641 15.2-179.5 -89.5 154.8 2.5 42.0 50.2 89 135 A L E -H 98 0D 1 9,-1.9 9,-3.2 -2,-0.2 2,-0.5 -0.936 8.9-160.7-156.6 121.7 0.9 38.6 50.8 90 136 A V E -H 97 0D 6 -2,-0.3 2,-1.0 7,-0.2 7,-0.2 -0.941 13.6-145.8-110.7 129.4 -2.4 38.0 52.6 91 137 A D > - 0 0 0 5,-3.2 4,-2.5 -2,-0.5 5,-0.5 -0.853 15.4-168.6 -90.7 104.8 -3.3 34.7 54.0 92 138 A R T 4 S+ 0 0 94 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.676 81.2 57.5 -70.8 -19.2 -7.1 34.9 53.4 93 139 A E T 4 S+ 0 0 120 80,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.938 122.4 21.0 -76.9 -47.6 -7.7 31.8 55.6 94 140 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 104,-0.0 -1,-0.1 0.632 100.0-123.7 -94.8 -17.9 -6.1 33.1 58.7 95 141 A G < + 0 0 24 -4,-2.5 39,-0.3 1,-0.3 2,-0.2 0.558 59.8 146.5 86.0 8.0 -6.3 36.9 58.0 96 142 A T - 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