==== 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 1EUT . 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) . 23839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 365 60.7 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 . 219 36.4 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 . 6 1.0 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-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 . 54 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.8 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 6 4 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 6 1 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 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 96 0, 0.0 3,-0.0 0, 0.0 350,-0.0 0.000 360.0 360.0 360.0-130.2 4.2 7.5 -3.6 2 48 A E - 0 0 168 1,-0.1 2,-0.3 352,-0.0 352,-0.2 -0.468 360.0 -95.3 -69.7 139.9 5.9 4.4 -5.0 3 49 A P - 0 0 89 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.449 45.3-162.2 -62.8 122.5 5.0 1.3 -2.9 4 50 A L + 0 0 63 -2,-0.3 347,-1.5 -3,-0.0 350,-0.2 -0.855 26.6 146.5-113.2 139.5 7.6 0.5 -0.2 5 51 A Y E +A 350 0A 54 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.646 15.0 157.9-170.0 109.6 8.3 -2.7 1.7 6 52 A T E -A 349 0A 77 343,-1.8 343,-2.2 -2,-0.2 2,-0.3 -0.886 14.4-169.1-132.2 156.5 11.8 -3.7 2.7 7 53 A E E +A 348 0A 67 -2,-0.3 2,-0.3 341,-0.2 341,-0.2 -0.997 11.0 175.0-153.0 151.1 13.1 -6.0 5.5 8 54 A Q E -A 347 0A 64 339,-2.6 339,-3.5 -2,-0.3 2,-0.4 -0.987 35.0-105.0-149.6 151.4 16.2 -7.1 7.3 9 55 A D E +A 346 0A 63 -2,-0.3 337,-0.3 337,-0.3 3,-0.1 -0.672 24.9 179.1 -87.0 132.9 17.0 -9.4 10.3 10 56 A L E S+ 0 0 14 335,-2.3 2,-0.4 -2,-0.4 336,-0.2 0.818 78.0 26.4 -93.0 -37.6 17.9 -7.9 13.6 11 57 A A E -A 345 0A 2 334,-2.1 334,-2.0 10,-0.0 2,-0.5 -0.987 63.2-171.4-133.2 130.1 18.2 -11.2 15.5 12 58 A V E > -A 344 0A 61 -2,-0.4 3,-1.9 332,-0.2 332,-0.3 -0.985 37.7-106.5-124.2 118.2 19.1 -14.6 14.0 13 59 A N T 3 S+ 0 0 39 330,-2.7 7,-0.1 -2,-0.5 3,-0.1 -0.160 102.8 13.6 -44.8 116.8 18.8 -17.7 16.2 14 60 A G T > S+ 0 0 45 4,-2.6 3,-0.6 1,-0.4 -1,-0.2 -0.147 105.3 95.3 107.7 -36.0 22.3 -18.9 17.2 15 61 A R G X S+ 0 0 161 -3,-1.9 3,-0.8 1,-0.2 -1,-0.4 -0.517 81.4 22.7 -90.0 154.3 24.3 -15.9 16.1 16 62 A E G 3 S- 0 0 132 1,-0.2 -1,-0.2 -2,-0.2 -3,-0.0 0.728 131.4 -53.2 62.3 28.4 25.3 -13.1 18.5 17 63 A G G < S+ 0 0 66 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.365 109.7 81.6 100.3 -7.6 25.1 -15.1 21.7 18 64 A F < - 0 0 34 -3,-0.8 -4,-2.6 -6,-0.2 -1,-0.1 -0.992 55.9-149.8-137.6 145.2 21.7 -16.7 22.0 19 65 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.628 92.2 32.9 -78.7 -16.6 20.2 -19.9 20.6 20 66 A N + 0 0 32 21,-0.2 21,-3.5 -7,-0.1 2,-0.4 -0.999 56.9 179.2-148.4 135.8 16.8 -18.2 20.7 21 67 A Y E +D 40 0B 3 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.986 25.9 144.1-130.5 139.9 15.5 -14.7 20.3 22 68 A R E +D 39 0B 53 17,-1.2 17,-3.3 -2,-0.4 63,-0.1 -0.945 29.0 63.6-162.5 177.4 11.8 -14.0 20.5 23 69 A I E - 0 0 2 -2,-0.3 -1,-0.2 15,-0.2 138,-0.2 0.977 65.8-142.0 57.1 75.6 9.0 -11.6 21.7 24 70 A P E - 0 0 2 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.157 20.8-178.1 -64.9 145.6 9.4 -8.4 19.5 25 71 A A E -D 37 0B 0 12,-1.5 12,-2.9 135,-0.1 2,-0.4 -0.923 6.0-168.8-149.2 120.3 9.0 -4.7 20.8 26 72 A L E +D 36 0B 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.915 12.8 158.4-116.8 136.9 9.3 -1.6 18.6 27 73 A T E -D 35 0B 0 8,-2.7 8,-3.0 -2,-0.4 2,-0.4 -0.944 31.2-139.6-147.0 164.0 9.5 2.1 19.5 28 74 A V E -D 34 0B 9 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.999 31.4-132.0-124.7 119.6 10.7 5.4 18.0 29 75 A T > - 0 0 7 4,-3.0 3,-2.3 -2,-0.4 4,-0.1 -0.283 31.8 -93.5 -70.7 162.6 12.4 7.6 20.6 30 76 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 66,-0.1 0.743 125.1 49.2 -46.7 -24.9 11.6 11.3 21.0 31 77 A D T 3 S- 0 0 150 64,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.158 125.0 -89.8-106.0 19.7 14.5 12.2 18.5 32 78 A G S < S+ 0 0 25 -3,-2.3 29,-0.5 1,-0.3 2,-0.3 0.522 78.5 138.8 89.7 5.1 13.8 9.8 15.6 33 79 A D - 0 0 32 -4,-0.1 -4,-3.0 27,-0.1 2,-0.4 -0.654 48.9-136.0 -83.8 133.0 15.8 6.8 16.7 34 80 A L E -DE 28 58B 1 24,-3.0 24,-2.6 -2,-0.3 2,-0.5 -0.799 20.2-163.4 -88.9 135.8 14.2 3.5 16.2 35 81 A L E -DE 27 57B 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.4 -0.997 6.4-173.4-123.1 127.2 14.5 1.2 19.2 36 82 A A E -DE 26 56B 0 20,-2.2 20,-2.6 -2,-0.5 2,-0.3 -0.993 4.7-178.2-124.0 125.7 13.9 -2.5 18.9 37 83 A S E +DE 25 55B 0 -12,-2.9 -12,-1.5 -2,-0.4 2,-0.3 -0.855 9.4 153.6-118.7 157.0 13.9 -4.9 21.9 38 84 A Y E - E 0 54B 0 16,-1.0 16,-2.5 -2,-0.3 2,-0.2 -0.973 43.4 -83.6-170.6 164.1 13.4 -8.7 22.3 39 85 A D E -DE 22 53B 0 -17,-3.3 -17,-1.2 -2,-0.3 2,-0.6 -0.572 23.0-153.3 -78.5 147.1 14.2 -11.7 24.5 40 86 A G E -DE 21 52B 0 12,-2.1 12,-1.9 -2,-0.2 -19,-0.2 -0.989 18.2-160.3-115.3 105.8 17.6 -13.5 24.2 41 87 A R > - 0 0 3 -21,-3.5 3,-1.0 -2,-0.6 -21,-0.2 -0.738 18.1-178.9 -95.7 90.5 16.6 -17.0 25.4 42 88 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.745 95.4 36.3 -57.5 -18.1 19.7 -18.9 26.5 43 89 A T T 3 S- 0 0 68 2,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.480 106.8-125.4-108.6 -14.5 17.3 -21.7 27.2 44 90 A G S < S+ 0 0 30 -3,-1.0 2,-0.3 1,-0.3 -23,-0.1 0.567 81.2 99.6 74.2 15.0 14.8 -21.1 24.3 45 91 A I - 0 0 98 1,-0.1 -2,-0.3 -25,-0.1 -1,-0.3 -0.814 69.8-125.7-130.4 156.9 12.1 -21.0 26.8 46 92 A D > + 0 0 78 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.095 63.3 12.7 -83.5-155.9 10.3 -18.0 28.4 47 93 A A T 3 S+ 0 0 22 1,-0.3 -1,-0.3 3,-0.1 62,-0.2 -0.263 119.3 24.9 -54.4 143.7 9.8 -17.3 32.2 48 94 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.3 0, 0.0 59,-0.1 -0.939 102.2 99.8 -85.8 3.8 11.3 -18.5 34.7 49 95 A G S < S- 0 0 11 -3,-1.7 2,-2.7 1,-0.1 55,-0.1 -0.218 93.9 -91.1 -52.7 150.5 14.2 -19.4 32.4 50 96 A P + 0 0 10 0, 0.0 24,-0.3 0, 0.0 32,-0.2 -0.147 66.5 161.1 -60.7 42.6 17.3 -17.1 32.4 51 97 A N - 0 0 0 -2,-2.7 32,-2.2 -10,-0.1 2,-0.3 -0.302 25.6-149.7 -72.8 152.2 16.1 -14.9 29.6 52 98 A S E -E 40 0B 11 -12,-1.9 -12,-2.1 30,-0.2 2,-0.5 -0.905 13.7-126.8-120.6 149.1 17.6 -11.4 29.0 53 99 A I E -EF 39 72B 0 19,-3.0 18,-2.8 -2,-0.3 19,-1.4 -0.869 36.5-173.6 -96.9 124.1 16.0 -8.2 27.5 54 100 A L E -EF 38 70B 2 -16,-2.5 -16,-1.0 -2,-0.5 2,-0.3 -0.661 10.9-156.8-112.9 173.6 18.1 -6.9 24.6 55 101 A Q E -EF 37 69B 9 14,-2.2 14,-2.9 -18,-0.2 2,-0.4 -0.928 8.8-168.8-158.6 130.0 18.1 -3.8 22.4 56 102 A R E -E 36 0B 41 -20,-2.6 -20,-2.2 -2,-0.3 2,-0.4 -0.909 21.2-149.3-113.9 142.9 19.4 -2.8 18.9 57 103 A R E -E 35 0B 46 10,-0.4 9,-3.6 -2,-0.4 2,-0.5 -0.948 11.4-164.6-124.1 136.1 19.3 0.9 17.9 58 104 A S E +E 34 0B 1 -24,-2.6 -24,-3.0 -2,-0.4 3,-0.3 -0.943 12.1 172.7-120.1 122.9 18.9 2.7 14.6 59 105 A T S S+ 0 0 99 -2,-0.5 -1,-0.1 -26,-0.2 6,-0.1 0.470 76.2 62.9-101.6 -7.3 19.7 6.3 14.2 60 106 A D S > S- 0 0 43 4,-0.5 3,-0.9 -26,-0.1 -1,-0.2 -0.248 126.0 -85.7-110.6 39.9 19.3 6.6 10.4 61 107 A G T 3 S- 0 0 31 -29,-0.5 -2,-0.1 -3,-0.3 271,-0.1 0.579 86.4 -50.8 71.9 11.4 15.6 5.7 10.4 62 108 A G T 3 S+ 0 0 5 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.429 110.2 106.0 108.9 -1.9 15.9 1.9 10.4 63 109 A R S < S+ 0 0 180 -3,-0.9 2,-0.3 1,-0.2 -2,-0.1 0.798 89.6 24.6 -74.9 -40.6 18.4 1.3 7.5 64 110 A T S S- 0 0 87 -4,-0.0 -4,-0.5 0, 0.0 -2,-0.4 -0.951 75.8-154.8-126.2 146.4 21.4 0.5 9.7 65 111 A W - 0 0 17 -2,-0.3 -7,-0.2 -7,-0.1 3,-0.1 -0.981 12.3-124.9-129.1 143.4 21.2 -0.8 13.3 66 112 A G - 0 0 32 -9,-3.6 -1,-0.1 -2,-0.4 3,-0.1 0.060 46.0 -63.6 -75.4-173.9 23.6 -0.6 16.2 67 113 A E - 0 0 110 1,-0.1 2,-0.6 -11,-0.1 -10,-0.4 -0.236 59.2 -94.8 -72.4 156.9 25.2 -3.4 18.3 68 114 A Q - 0 0 31 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.700 48.2-172.4 -75.5 112.6 23.0 -5.6 20.5 69 115 A Q E -F 55 0B 116 -14,-2.9 -14,-2.2 -2,-0.6 2,-0.4 -0.778 22.4-118.6-109.1 151.8 22.9 -4.1 24.0 70 116 A V E +F 54 0B 81 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.2 -0.754 25.8 176.1 -92.3 133.0 21.4 -5.6 27.2 71 117 A V E S+ 0 0 9 -18,-2.8 2,-0.3 -2,-0.4 -17,-0.2 0.727 81.9 10.1-100.7 -37.1 18.7 -3.7 29.0 72 118 A S E S-F 53 0B 4 -19,-1.4 -19,-3.0 11,-0.1 2,-0.4 -0.912 78.7-150.1-147.0 110.9 17.9 -6.3 31.7 73 119 A A - 0 0 67 -2,-0.3 2,-0.3 -21,-0.2 -21,-0.1 -0.728 7.2-144.0 -93.6 130.3 20.4 -9.2 32.1 74 120 A G - 0 0 18 -2,-0.4 2,-0.6 -24,-0.3 8,-0.2 -0.668 15.4-124.4 -89.3 150.3 19.2 -12.6 33.4 75 121 A Q B -G 81 0C 78 6,-0.9 6,-1.9 -2,-0.3 -24,-0.1 -0.859 21.9-177.3-102.0 116.4 21.3 -14.8 35.6 76 122 A T + 0 0 91 -2,-0.6 4,-0.2 4,-0.2 2,-0.2 0.743 67.7 76.3 -80.0 -28.3 22.0 -18.3 34.4 77 123 A T S S- 0 0 89 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.528 102.0 -54.9 -80.0 151.7 23.9 -19.3 37.5 78 124 A A S S+ 0 0 88 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.506 125.7 53.4 -70.4 140.8 21.8 -20.0 40.5 79 125 A P S S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.379 94.6-146.5 -80.9 129.2 20.0 -18.3 41.8 80 126 A I + 0 0 78 -4,-0.2 2,-0.3 25,-0.1 -4,-0.2 -0.341 20.9 178.7 -57.7 133.5 18.4 -18.1 38.3 81 127 A K B -G 75 0C 75 -6,-1.9 -6,-0.9 -4,-0.1 2,-0.3 -0.987 2.8-174.9-136.7 147.5 16.8 -14.8 37.3 82 128 A G E -H 104 0D 0 22,-2.6 22,-3.1 -2,-0.3 2,-0.4 -0.972 17.7-156.4-148.4 155.5 15.2 -13.9 34.0 83 129 A F E +H 103 0D 22 -32,-2.2 2,-0.3 -2,-0.3 20,-0.2 -0.984 28.0 168.9-128.9 136.8 13.6 -11.0 32.2 84 130 A S E +H 102 0D 0 18,-1.9 18,-3.2 -2,-0.4 -31,-0.1 -0.990 37.3 26.2-152.2 161.6 11.1 -11.5 29.4 85 131 A D E - 0 0 17 -2,-0.3 -1,-0.2 16,-0.2 73,-0.2 0.981 66.9-152.4 55.7 75.9 8.5 -10.1 27.0 86 132 A P E - 0 0 0 0, 0.0 75,-1.0 0, 0.0 2,-0.3 -0.375 15.5-175.4 -78.9 161.2 9.5 -6.5 26.6 87 133 A S E -Hi 100 161D 0 13,-1.4 13,-3.2 73,-0.3 75,-0.3 -0.880 14.1-143.6-154.9 120.3 7.1 -3.7 25.7 88 134 A Y E -Hi 99 162D 0 73,-1.6 75,-2.7 -2,-0.3 2,-0.3 -0.605 14.8-178.1 -87.8 149.7 8.0 -0.0 25.0 89 135 A L E -H 98 0D 0 9,-2.0 9,-2.7 -2,-0.2 2,-0.5 -0.978 11.4-157.8-143.4 127.0 5.9 3.0 26.1 90 136 A V E -H 97 0D 7 -2,-0.3 2,-1.3 7,-0.2 7,-0.2 -0.949 11.5-146.7-117.5 126.3 7.1 6.5 25.1 91 137 A D >> - 0 0 0 5,-2.6 4,-3.0 -2,-0.5 3,-0.5 -0.788 14.5-170.1 -90.1 92.0 5.9 9.5 27.0 92 138 A R T 34 S+ 0 0 102 -2,-1.3 -1,-0.2 1,-0.2 5,-0.0 0.715 79.7 58.6 -56.9 -24.5 5.9 12.0 24.1 93 139 A E T 34 S+ 0 0 114 80,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.894 122.1 17.1 -76.1 -39.5 5.4 14.9 26.6 94 140 A T T <4 S- 0 0 76 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.636 98.3-117.7-108.3 -21.8 8.5 14.5 28.7 95 141 A G < + 0 0 21 -4,-3.0 39,-0.3 1,-0.3 -3,-0.1 0.325 61.4 145.2 101.0 -8.4 10.8 12.2 26.6 96 142 A T - 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