==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-NOV-04 1WCQ . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA VIRIDIFACIENS; . AUTHOR S.NEWSTEAD,J.N.WATSON,A.J.BENNET,G.TAYLOR . 1801 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 663 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 21 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 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 . 130 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 3 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 . 3 3 3 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 . 17 12 3 15 16 17 15 3 4 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 14 3 3 0 3 2 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 0 109 0, 0.0 350,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.0 -2.1 42.7 94.7 2 48 A E - 0 0 167 1,-0.1 352,-0.2 352,-0.0 351,-0.2 -0.733 360.0-117.5 -85.0 120.8 -4.7 39.9 94.4 3 49 A P - 0 0 81 0, 0.0 2,-0.4 0, 0.0 349,-0.1 -0.307 31.3-167.1 -58.6 134.2 -7.1 40.4 91.4 4 50 A L + 0 0 63 347,-0.1 347,-1.3 2,-0.0 2,-0.3 -0.990 19.7 155.4-124.0 125.6 -10.8 40.8 92.3 5 51 A Y E +A 350 0A 61 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.873 12.9 157.4-141.6 120.7 -13.7 40.7 90.0 6 52 A T E -A 349 0A 79 343,-2.3 343,-2.8 -2,-0.3 2,-0.3 -0.992 14.2-170.4-140.5 152.3 -17.2 39.8 91.3 7 53 A E E +A 348 0A 61 -2,-0.3 2,-0.3 341,-0.3 341,-0.3 -0.981 7.0 176.7-141.7 145.0 -20.7 40.4 90.0 8 54 A Q E -A 347 0A 70 339,-2.4 339,-3.6 -2,-0.3 2,-0.1 -0.988 31.7-113.7-150.1 143.6 -24.3 40.0 91.2 9 55 A D E -A 346 0A 65 -2,-0.3 337,-0.3 337,-0.3 3,-0.1 -0.484 23.9-179.9 -70.0 142.0 -27.7 40.9 89.7 10 56 A L E S+ 0 0 8 335,-2.7 2,-0.3 1,-0.4 336,-0.2 0.544 75.5 22.3-109.3 -20.1 -29.7 43.6 91.5 11 57 A A E -A 345 0A 5 334,-2.0 334,-2.1 10,-0.1 2,-0.5 -0.965 64.6-164.6-148.1 128.3 -32.8 43.6 89.3 12 58 A V E > -A 344 0A 35 -2,-0.3 3,-2.5 3,-0.2 332,-0.2 -0.974 36.1-105.7-117.0 125.1 -34.0 40.8 86.9 13 59 A N T 3 S+ 0 0 49 330,-2.6 7,-0.2 -2,-0.5 3,-0.1 -0.208 106.3 18.1 -47.6 127.8 -36.5 41.7 84.3 14 60 A G T 3 S+ 0 0 56 4,-1.9 2,-0.3 1,-0.3 3,-0.3 0.176 104.8 101.5 94.8 -19.6 -40.0 40.3 85.3 15 61 A R S < S+ 0 0 164 -3,-2.5 3,-0.5 1,-0.2 -1,-0.3 -0.812 78.4 14.0-102.5 141.7 -39.1 39.9 89.0 16 62 A E S S- 0 0 158 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.627 130.8 -43.0 73.3 21.6 -40.2 42.3 91.8 17 63 A G S S+ 0 0 68 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.231 115.6 74.8 125.5 -9.9 -42.9 44.4 90.1 18 64 A F - 0 0 36 -3,-0.5 -4,-1.9 -6,-0.2 -1,-0.2 -0.981 58.7-147.5-136.5 140.2 -41.6 45.3 86.7 19 65 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.662 91.5 26.6 -76.2 -16.7 -41.2 43.5 83.3 20 66 A N - 0 0 36 21,-0.5 21,-2.3 -7,-0.2 2,-0.4 -0.999 62.2-169.5-148.3 142.5 -38.1 45.5 82.4 21 67 A Y E +D 40 0B 2 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -1.000 23.6 148.0-132.4 132.8 -35.4 47.3 84.4 22 68 A R E +D 39 0B 50 17,-1.2 17,-3.1 -2,-0.4 63,-0.2 -0.968 28.3 59.3-154.2 167.9 -32.8 49.7 82.8 23 69 A I E - 0 0 2 -2,-0.3 16,-0.2 15,-0.2 -1,-0.2 0.996 60.8-143.4 79.6 79.2 -30.7 52.7 83.2 24 70 A P E + 0 0 2 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.435 21.2 177.4 -79.9 145.0 -28.2 52.4 86.1 25 71 A A E -D 37 0B 0 12,-2.3 12,-3.1 -2,-0.2 2,-0.4 -0.992 11.2-176.4-137.9 135.1 -27.0 55.2 88.5 26 72 A L E +D 36 0B 0 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.989 7.9 160.0-138.1 135.7 -24.6 54.4 91.3 27 73 A T E -D 35 0B 0 8,-2.5 8,-2.2 -2,-0.4 2,-0.5 -0.942 33.1-128.8-144.5 170.4 -23.1 56.4 94.2 28 74 A V E -D 34 0B 7 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.995 29.2-136.7-118.9 120.6 -21.4 56.1 97.6 29 75 A T > - 0 0 2 4,-2.7 3,-3.3 -2,-0.5 67,-0.1 -0.364 31.6-102.3 -64.7 157.6 -23.0 58.3 100.3 30 76 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 62,-0.0 0.801 126.3 61.4 -51.0 -28.1 -20.7 60.3 102.7 31 77 A D T 3 S- 0 0 122 64,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.631 118.7-112.8 -58.9 -29.8 -21.6 57.3 105.1 32 78 A G S < S+ 0 0 21 -3,-3.3 29,-0.4 1,-0.4 2,-0.2 0.363 72.3 138.6 91.1 -0.6 -20.1 54.7 102.8 33 79 A D - 0 0 29 27,-0.1 -4,-2.7 28,-0.1 -1,-0.4 -0.556 50.3-131.5 -68.3 143.6 -23.5 53.2 102.0 34 80 A L E -DE 28 58B 1 24,-2.6 24,-2.3 -6,-0.2 2,-0.5 -0.838 18.2-162.0 -94.8 141.3 -23.8 52.3 98.3 35 81 A L E -DE 27 57B 0 -8,-2.2 -8,-2.5 -2,-0.4 2,-0.5 -0.985 5.9-172.5-125.3 122.2 -26.9 53.4 96.4 36 82 A A E -DE 26 56B 0 20,-2.8 20,-2.7 -2,-0.5 2,-0.3 -0.943 10.7-178.5-107.9 132.8 -27.9 51.8 93.1 37 83 A S E +DE 25 55B 0 -12,-3.1 -12,-2.3 -2,-0.5 2,-0.3 -0.917 10.2 148.2-130.3 155.8 -30.8 53.4 91.2 38 84 A Y E - E 0 54B 0 16,-1.2 16,-2.7 -2,-0.3 2,-0.3 -0.964 43.9 -77.7-172.7 166.7 -32.5 52.5 87.9 39 85 A D E -DE 22 53B 0 -17,-3.1 -17,-1.2 -2,-0.3 2,-0.5 -0.616 21.3-150.0 -78.4 139.6 -35.9 52.6 86.1 40 86 A G E -DE 21 52B 0 12,-2.0 12,-2.5 -2,-0.3 -19,-0.2 -0.955 21.7-164.1 -94.3 122.2 -38.8 50.3 86.6 41 87 A R > - 0 0 2 -21,-2.3 3,-1.3 -2,-0.5 -21,-0.5 -0.862 15.6-175.6-114.9 95.6 -40.4 50.2 83.1 42 88 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.770 92.7 32.6 -65.7 -24.1 -44.0 48.8 83.2 43 89 A T T 3 S- 0 0 87 2,-0.2 3,-0.1 -23,-0.1 8,-0.0 0.238 112.1-116.8-110.1 11.6 -44.3 49.1 79.4 44 90 A G S < S+ 0 0 35 -3,-1.3 2,-0.3 1,-0.2 -23,-0.1 0.724 74.9 110.0 56.7 30.7 -40.6 48.4 78.7 45 91 A I - 0 0 84 -25,-0.1 -2,-0.2 1,-0.1 -1,-0.2 -0.859 68.4-108.7-129.4 162.8 -39.8 51.8 77.1 46 92 A D S > S- 0 0 88 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 -0.121 74.1 -16.2 -68.6 178.8 -37.9 55.0 77.6 47 93 A A T 3 S+ 0 0 23 1,-0.4 62,-0.4 3,-0.1 61,-0.2 -0.348 125.7 43.5 -53.9 143.2 -40.0 58.2 78.3 48 94 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.862 91.5 115.4 -88.3 33.3 -42.8 58.8 77.9 49 95 A G S < S- 0 0 1 -3,-2.3 2,-2.3 1,-0.1 55,-0.2 -0.319 83.2-112.0 -50.0 142.3 -43.0 55.3 79.4 50 96 A P + 0 0 14 0, 0.0 32,-0.2 0, 0.0 24,-0.2 -0.363 61.9 171.5 -78.3 64.7 -44.8 55.7 82.8 51 97 A N - 0 0 0 -2,-2.3 32,-2.4 -10,-0.1 2,-0.4 -0.228 28.7-142.6 -82.2 158.8 -41.5 54.8 84.5 52 98 A S E -E 40 0B 10 -12,-2.5 -12,-2.0 30,-0.2 2,-0.5 -0.911 13.8-131.5-113.0 143.8 -40.4 54.8 88.2 53 99 A I E -EF 39 72B 0 19,-2.2 18,-2.6 -2,-0.4 19,-1.5 -0.869 36.7-171.4 -86.3 132.4 -37.0 55.7 89.6 54 100 A L E -EF 38 70B 0 -16,-2.7 -16,-1.2 -2,-0.5 2,-0.3 -0.704 8.9-159.9-124.6 168.9 -36.0 52.9 92.0 55 101 A Q E -EF 37 69B 1 14,-2.0 14,-2.9 -2,-0.2 2,-0.3 -0.988 13.4-170.2-158.0 137.8 -33.3 52.3 94.5 56 102 A R E -E 36 0B 49 -20,-2.7 -20,-2.8 -2,-0.3 2,-0.3 -0.982 16.1-155.3-121.5 142.0 -31.4 49.7 96.4 57 103 A R E -E 35 0B 31 -2,-0.3 9,-2.9 10,-0.3 2,-0.4 -0.872 4.1-162.2-111.0 146.6 -29.0 50.5 99.3 58 104 A S E -E 34 0B 1 -24,-2.3 -24,-2.6 -2,-0.3 3,-0.3 -0.999 6.5-175.1-125.3 132.3 -26.0 48.3 100.5 59 105 A T S S+ 0 0 103 -2,-0.4 6,-0.1 5,-0.3 -26,-0.1 0.157 77.4 64.0-110.0 13.4 -24.7 49.1 104.0 60 106 A D S > S- 0 0 44 4,-0.5 3,-1.1 -26,-0.1 -1,-0.2 -0.164 122.4 -85.8-129.3 43.2 -21.8 46.6 103.7 61 107 A G T 3 S- 0 0 31 -29,-0.4 -28,-0.1 -3,-0.3 -2,-0.1 0.736 89.6 -48.9 66.1 27.0 -19.7 48.0 100.9 62 108 A G T 3 S+ 0 0 3 2,-0.3 -1,-0.2 -28,-0.1 285,-0.1 0.225 109.9 108.4 104.6 -13.9 -21.6 46.3 98.1 63 109 A R S < S+ 0 0 161 -3,-1.1 2,-0.3 1,-0.1 -2,-0.1 0.934 85.3 17.9 -68.6 -50.7 -21.9 42.7 99.3 64 110 A T S S- 0 0 89 -4,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.916 73.3-147.7-122.3 153.7 -25.5 42.4 100.2 65 111 A W - 0 0 25 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.959 6.4-134.9-127.3 139.7 -28.4 44.7 99.1 66 112 A G - 0 0 40 -9,-2.9 3,-0.1 -2,-0.4 -1,-0.0 0.068 50.8 -49.7 -76.2-171.6 -31.7 45.9 100.8 67 113 A E - 0 0 136 1,-0.1 2,-0.4 -11,-0.1 -10,-0.3 -0.208 56.0-107.3 -64.6 146.5 -35.2 46.1 99.3 68 114 A Q - 0 0 41 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.597 47.9-171.7 -65.4 120.7 -35.9 47.8 96.0 69 115 A Q E -F 55 0B 71 -14,-2.9 -14,-2.0 -2,-0.4 2,-0.6 -0.835 25.3-108.0-116.5 164.5 -37.7 51.1 97.0 70 116 A V E +F 54 0B 84 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.2 -0.812 30.7 171.4 -90.6 115.0 -39.5 53.8 95.0 71 117 A V E S+ 0 0 8 -18,-2.6 2,-0.4 -2,-0.6 -17,-0.2 0.880 83.8 8.2 -83.6 -44.5 -37.7 57.2 94.7 72 118 A S E S-F 53 0B 4 -19,-1.5 -19,-2.2 11,-0.1 2,-0.6 -0.971 82.1-139.4-142.5 120.3 -40.2 58.7 92.2 73 119 A A - 0 0 63 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.749 10.5-140.5 -96.5 118.3 -43.3 56.8 91.4 74 120 A G - 0 0 21 -2,-0.6 2,-0.5 -24,-0.2 8,-0.2 -0.238 14.1-132.6 -56.8 156.8 -44.6 56.6 87.7 75 121 A Q B -G 81 0C 69 6,-3.3 6,-1.8 -24,-0.1 -24,-0.1 -0.945 21.8-178.9-126.7 105.7 -48.4 56.8 87.2 76 122 A T + 0 0 93 -2,-0.5 2,-0.4 4,-0.2 4,-0.1 0.493 63.3 80.0 -82.1 -11.3 -49.7 54.1 84.8 77 123 A T S S- 0 0 96 2,-0.2 4,-0.0 4,-0.1 0, 0.0 -0.865 99.2 -65.3-100.8 133.3 -53.3 55.4 84.9 78 124 A A S S+ 0 0 93 -2,-0.4 -2,-0.1 1,-0.1 2,-0.0 -0.350 123.3 57.6 -59.7 133.2 -54.3 58.4 82.8 79 125 A P S S- 0 0 96 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.334 97.6-146.6 -75.5 130.9 -53.1 61.1 83.3 80 126 A I - 0 0 52 -4,-0.1 2,-0.3 -6,-0.0 -4,-0.2 -0.355 18.9-175.0 -70.4 141.1 -49.8 59.3 82.7 81 127 A K B -G 75 0C 71 -6,-1.8 -6,-3.3 24,-0.1 2,-0.3 -0.968 1.6-171.3-133.2 136.5 -46.6 60.3 84.6 82 128 A G E -H 104 0D 0 22,-2.6 22,-3.1 -2,-0.3 2,-0.4 -0.978 11.7-171.2-125.4 139.2 -43.1 58.9 84.0 83 129 A F E +H 103 0D 26 -32,-2.4 2,-0.3 -2,-0.3 20,-0.2 -0.996 30.2 153.0-124.6 124.0 -39.8 59.4 85.9 84 130 A S E +H 102 0D 1 18,-0.7 18,-2.9 -2,-0.4 -31,-0.1 -0.968 31.6 42.3-156.5 151.6 -36.8 57.9 84.1 85 131 A D E - 0 0 17 -2,-0.3 -1,-0.2 16,-0.2 73,-0.2 0.999 66.9-152.3 68.1 68.5 -32.9 58.0 83.6 86 132 A P E - 0 0 0 0, 0.0 75,-1.5 0, 0.0 2,-0.3 -0.459 18.4-177.8 -73.1 145.5 -31.4 58.5 87.1 87 133 A S E -Hi 100 161D 0 13,-1.4 13,-2.8 73,-0.3 75,-0.3 -0.938 16.1-146.3-137.8 118.2 -28.2 60.3 87.8 88 134 A Y E -Hi 99 162D 0 73,-1.9 75,-3.0 -2,-0.3 2,-0.3 -0.549 14.9-177.3 -72.8 146.6 -26.9 60.5 91.4 89 135 A L E -H 98 0D 0 9,-1.9 9,-2.3 -2,-0.2 2,-0.5 -0.903 9.5-158.2-143.4 117.5 -24.9 63.5 92.6 90 136 A V E -H 97 0D 4 73,-0.3 2,-0.9 -2,-0.3 7,-0.2 -0.852 10.2-151.1 -94.2 126.3 -23.5 63.7 96.1 91 137 A D > - 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