==== 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 1EUR . COMPND 2 MOLECULE: SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MICROMONOSPORA VIRIDIFACIENS; . AUTHOR A.GASKELL,S.J.CRENNELL,G.L.TAYLOR . 361 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 58.2 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 35.2 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 1.9 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 . 1 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.3 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 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.7 -21.5 49.5 32.5 2 48 A E - 0 0 160 1,-0.0 352,-0.2 352,-0.0 351,-0.2 -0.807 360.0-120.5 -91.9 119.3 -20.0 53.0 32.8 3 49 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 349,-0.1 -0.315 29.0-158.4 -58.3 147.0 -16.2 52.9 32.4 4 50 A L + 0 0 64 347,-0.2 347,-1.3 2,-0.0 2,-0.3 -0.992 22.5 157.1-134.2 131.5 -14.2 54.1 35.3 5 51 A Y E +A 350 0A 62 -2,-0.4 2,-0.3 345,-0.2 345,-0.2 -0.810 11.5 151.5-153.9 114.7 -10.6 55.4 35.5 6 52 A T E -A 349 0A 81 343,-2.2 343,-2.5 -2,-0.3 2,-0.3 -0.952 14.2-175.5-140.2 156.4 -9.3 57.6 38.1 7 53 A E E -A 348 0A 66 -2,-0.3 2,-0.3 341,-0.3 341,-0.3 -0.985 6.6-179.7-151.7 157.1 -5.8 58.2 39.7 8 54 A Q E -A 347 0A 74 339,-2.4 339,-2.9 -2,-0.3 2,-0.2 -0.962 34.4-105.5-157.0 143.9 -4.1 60.1 42.4 9 55 A D E -A 346 0A 63 -2,-0.3 337,-0.3 337,-0.3 3,-0.1 -0.514 24.4-176.6 -74.4 138.3 -0.5 60.4 43.7 10 56 A L E S+ 0 0 7 335,-2.9 2,-0.3 1,-0.4 336,-0.2 0.588 76.3 15.0-103.6 -23.5 0.3 58.6 47.0 11 57 A A E -A 345 0A 7 334,-1.9 334,-2.2 10,-0.1 2,-0.4 -0.956 63.3-168.2-152.7 131.2 3.9 59.8 47.1 12 58 A V E > -A 344 0A 47 -2,-0.3 3,-2.3 332,-0.2 332,-0.2 -0.990 37.9 -98.2-126.3 132.8 5.8 62.4 45.3 13 59 A N T 3 S+ 0 0 51 330,-2.5 7,-0.2 -2,-0.4 3,-0.1 -0.217 107.5 18.5 -47.6 126.1 9.6 62.8 45.3 14 60 A G T 3 S+ 0 0 55 4,-2.0 2,-0.3 1,-0.3 3,-0.3 0.221 104.6 100.8 96.0 -13.6 10.8 65.4 47.8 15 61 A R S X S+ 0 0 182 -3,-2.3 3,-0.6 3,-0.2 -1,-0.3 -0.817 75.3 18.1-110.7 146.6 7.6 65.5 49.8 16 62 A E T 3 S- 0 0 119 -2,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.704 130.6 -50.2 75.5 21.1 6.8 63.9 53.1 17 63 A G T 3 S+ 0 0 68 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.343 115.0 81.9 106.2 -9.0 10.4 63.2 54.2 18 64 A F < - 0 0 36 -3,-0.6 -4,-2.0 -6,-0.2 -3,-0.2 -0.992 60.1-147.2-134.2 139.0 12.1 61.5 51.4 19 65 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.681 88.6 26.5 -76.5 -12.8 13.7 62.9 48.2 20 66 A N - 0 0 35 21,-0.2 21,-2.8 -7,-0.2 2,-0.4 -0.997 60.6-169.9-153.4 140.2 12.8 59.8 46.2 21 67 A Y E +D 40 0B 2 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.991 20.8 151.8-130.3 140.3 10.1 57.1 46.3 22 68 A R E +D 39 0B 50 17,-1.2 17,-3.1 -2,-0.4 63,-0.2 -0.984 30.9 54.8-160.2 165.6 10.0 53.9 44.2 23 69 A I E - 0 0 0 -2,-0.3 16,-0.2 15,-0.2 -1,-0.2 0.993 60.8-141.1 71.6 88.4 8.8 50.2 44.0 24 70 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 14,-0.2 -0.451 22.3 175.6 -84.0 149.6 5.1 49.7 44.5 25 71 A A E -D 37 0B 0 12,-1.8 12,-3.1 -2,-0.2 2,-0.3 -0.972 11.4-178.2-145.1 136.1 3.3 46.9 46.4 26 72 A L E +D 36 0B 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.993 8.5 154.1-143.1 145.4 -0.5 46.9 46.8 27 73 A T E -D 35 0B 0 8,-1.9 8,-2.5 -2,-0.3 2,-0.4 -0.955 35.2-120.7-160.9 171.6 -3.1 44.6 48.6 28 74 A V E -D 34 0B 5 -2,-0.3 6,-0.2 6,-0.2 301,-0.1 -0.992 29.3-133.2-123.6 129.3 -6.5 44.5 50.2 29 75 A T > - 0 0 2 4,-3.2 3,-1.9 -2,-0.4 67,-0.1 -0.348 29.2-104.4 -77.0 164.3 -6.8 43.4 53.8 30 76 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 66,-0.0 0.842 125.0 56.0 -57.4 -30.8 -9.4 40.8 55.0 31 77 A D T 3 S- 0 0 131 64,-0.1 -2,-0.0 2,-0.1 -3,-0.0 0.616 124.5-105.6 -74.9 -16.7 -11.3 43.8 56.4 32 78 A G S < S+ 0 0 26 -3,-1.9 29,-0.3 1,-0.3 2,-0.2 0.485 72.1 141.7 105.1 2.7 -11.3 45.5 53.0 33 79 A D - 0 0 27 27,-0.1 -4,-3.2 28,-0.1 2,-0.4 -0.525 48.1-129.7 -76.7 147.5 -8.7 48.2 53.6 34 80 A L E -DE 28 58B 2 24,-2.5 24,-2.6 -6,-0.2 2,-0.4 -0.846 20.9-163.0 -98.7 134.0 -6.3 49.0 50.8 35 81 A L E -DE 27 57B 0 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.4 -0.980 5.1-170.0-119.7 130.4 -2.6 49.0 51.7 36 82 A A E -DE 26 56B 0 20,-2.7 20,-2.3 -2,-0.4 2,-0.3 -0.976 9.1-177.6-119.1 130.0 0.1 50.6 49.5 37 83 A S E +DE 25 55B 0 -12,-3.1 -12,-1.8 -2,-0.4 2,-0.3 -0.927 11.6 146.0-129.1 151.0 3.7 50.0 50.2 38 84 A Y E - E 0 54B 0 16,-1.4 16,-3.0 -2,-0.3 2,-0.2 -0.964 45.7 -77.5-169.6 170.3 6.9 51.4 48.6 39 85 A D E -DE 22 53B 0 -17,-3.1 -17,-1.2 -2,-0.3 2,-0.5 -0.584 22.5-153.1 -83.1 145.7 10.5 52.4 49.3 40 86 A G E -DE 21 52B 0 12,-2.2 12,-2.2 -2,-0.2 -19,-0.2 -0.978 23.2-161.5-111.0 124.4 11.5 55.7 50.8 41 87 A R > - 0 0 3 -21,-2.8 3,-1.7 -2,-0.5 -21,-0.2 -0.833 20.5-173.5-122.6 99.4 15.0 56.3 49.4 42 88 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.750 95.2 29.1 -57.7 -29.6 17.3 58.8 51.1 43 89 A T T 3 S- 0 0 83 2,-0.2 3,-0.1 -23,-0.1 8,-0.0 0.125 108.8-116.5-119.9 20.5 20.0 58.5 48.4 44 90 A G S < S+ 0 0 38 -3,-1.7 2,-0.3 1,-0.2 -23,-0.1 0.744 76.9 111.9 50.2 40.5 17.6 57.6 45.5 45 91 A I - 0 0 95 -25,-0.1 -2,-0.2 1,-0.1 -1,-0.2 -0.849 67.8-110.9-140.2 160.7 19.2 54.2 45.0 46 92 A D S > S- 0 0 69 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.291 72.8 -16.9 -78.0 177.1 18.4 50.4 45.3 47 93 A A T 3 S+ 0 0 20 1,-0.4 62,-0.4 -2,-0.1 -1,-0.2 -0.219 125.3 43.4 -49.5 145.6 20.1 48.3 48.0 48 94 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.4 0, 0.0 60,-0.1 -0.860 92.6 110.1 -77.9 25.3 22.6 48.9 49.6 49 95 A G S < S- 0 0 4 -3,-1.9 2,-2.5 1,-0.1 55,-0.2 -0.347 85.2-111.0 -57.7 144.8 20.9 52.3 49.8 50 96 A P + 0 0 16 0, 0.0 32,-0.2 0, 0.0 24,-0.2 -0.359 61.0 166.8 -79.2 65.5 19.7 52.9 53.4 51 97 A N - 0 0 0 -2,-2.5 32,-1.9 -10,-0.1 2,-0.3 -0.272 28.1-144.0 -82.1 162.8 16.0 52.7 52.4 52 98 A S E -E 40 0B 12 -12,-2.2 -12,-2.2 30,-0.2 2,-0.6 -0.920 15.6-125.4-123.2 152.5 12.9 52.3 54.4 53 99 A I E -EF 39 72B 0 19,-2.4 18,-3.1 -2,-0.3 19,-1.2 -0.882 36.0-169.6 -97.9 122.8 9.7 50.3 53.6 54 100 A L E -EF 38 70B 1 -16,-3.0 -16,-1.4 -2,-0.6 2,-0.3 -0.726 8.0-162.4-113.5 163.2 6.7 52.7 53.9 55 101 A Q E -EF 37 69B 9 14,-2.2 14,-2.9 -2,-0.3 2,-0.3 -0.999 9.1-170.6-149.4 143.3 2.9 52.1 53.9 56 102 A R E -E 36 0B 43 -20,-2.3 -20,-2.7 -2,-0.3 2,-0.4 -0.970 16.6-151.4-129.6 146.7 -0.3 54.1 53.4 57 103 A R E -E 35 0B 49 -2,-0.3 9,-3.2 10,-0.3 2,-0.4 -0.933 7.9-160.0-125.8 143.7 -3.8 52.8 54.1 58 104 A S E +E 34 0B 0 -24,-2.6 -24,-2.5 -2,-0.4 3,-0.3 -0.989 10.1 177.8-123.3 128.5 -7.2 53.5 52.7 59 105 A T S S+ 0 0 107 -2,-0.4 -1,-0.1 5,-0.4 6,-0.1 0.369 77.5 60.5-106.7 1.7 -10.4 52.6 54.6 60 106 A D S > S- 0 0 61 4,-0.5 3,-0.8 -26,-0.1 -1,-0.2 -0.180 124.6 -83.4-122.7 38.1 -12.9 54.0 52.1 61 107 A G T 3 S- 0 0 37 -29,-0.3 -2,-0.1 -3,-0.3 271,-0.1 0.640 88.7 -51.8 74.4 15.9 -12.1 51.9 49.0 62 108 A G T 3 S+ 0 0 5 2,-0.4 -1,-0.2 -28,-0.1 3,-0.1 0.412 110.8 108.2 102.8 -2.5 -9.2 53.9 47.8 63 109 A R S < S+ 0 0 187 -3,-0.8 2,-0.4 1,-0.2 -2,-0.1 0.908 86.3 25.3 -71.9 -45.5 -10.7 57.4 47.7 64 110 A T S S- 0 0 79 0, 0.0 -4,-0.5 0, 0.0 2,-0.4 -0.958 71.2-154.1-123.9 143.8 -8.8 58.7 50.7 65 111 A W - 0 0 20 -2,-0.4 -7,-0.2 -7,-0.2 3,-0.1 -0.944 10.9-135.9-123.2 137.3 -5.4 57.6 52.1 66 112 A G - 0 0 37 -9,-3.2 3,-0.1 -2,-0.4 -1,-0.1 0.020 47.2 -57.4 -74.5-171.2 -4.0 57.9 55.7 67 113 A E - 0 0 101 1,-0.1 2,-0.4 -11,-0.1 -10,-0.3 -0.260 57.4 -96.8 -75.5 155.9 -0.6 59.0 56.7 68 114 A Q - 0 0 22 -12,-0.1 2,-0.3 -3,-0.1 -12,-0.2 -0.574 46.4-171.4 -70.6 123.8 2.6 57.4 55.5 69 115 A Q E -F 55 0B 110 -14,-2.9 -14,-2.2 -2,-0.4 2,-0.5 -0.856 22.2-116.3-118.1 155.5 3.8 55.0 58.2 70 116 A V E +F 54 0B 83 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.2 -0.813 26.9 175.2 -97.4 127.5 7.1 53.1 58.4 71 117 A V E S+ 0 0 13 -18,-3.1 2,-0.4 -2,-0.5 -1,-0.2 0.862 81.9 10.5 -89.4 -54.1 7.1 49.3 58.2 72 118 A S E S-F 53 0B 7 -19,-1.2 -19,-2.4 11,-0.1 2,-0.5 -0.978 77.2-145.9-131.9 117.8 10.9 48.8 58.3 73 119 A A - 0 0 68 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.737 10.5-146.0 -89.2 123.1 13.2 51.8 59.1 74 120 A G - 0 0 20 -2,-0.5 2,-0.5 -24,-0.2 8,-0.2 -0.295 15.4-124.8 -77.0 168.8 16.6 51.9 57.3 75 121 A Q B -G 81 0C 63 6,-2.7 6,-1.6 -24,-0.1 -24,-0.1 -0.960 20.8-175.1-122.3 112.3 19.6 53.4 59.1 76 122 A T + 0 0 90 -2,-0.5 2,-0.4 4,-0.2 4,-0.2 0.659 69.0 68.2 -79.3 -19.2 21.5 56.2 57.3 77 123 A T S S- 0 0 97 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 -0.811 103.2 -55.1-101.0 146.0 24.3 56.4 59.9 78 124 A A S S+ 0 0 86 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.327 125.1 55.0 -59.8 137.8 26.9 53.6 60.2 79 125 A P S S- 0 0 82 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.236 96.3-155.8 -71.0 116.6 26.2 50.8 60.7 80 126 A I + 0 0 73 -4,-0.2 2,-0.3 -6,-0.1 -4,-0.2 -0.394 17.3 176.7 -68.0 139.1 24.1 51.5 57.6 81 127 A K B -G 75 0C 48 -6,-1.6 -6,-2.7 -4,-0.1 2,-0.3 -0.991 6.3-169.5-140.5 147.6 21.1 49.3 57.0 82 128 A G E -H 104 0D 0 22,-2.1 22,-2.6 -2,-0.3 2,-0.4 -0.978 12.8-160.5-142.0 151.7 18.4 49.4 54.3 83 129 A F E +H 103 0D 27 -32,-1.9 2,-0.3 -2,-0.3 20,-0.2 -0.995 30.1 157.2-132.0 122.1 15.1 47.8 53.6 84 130 A S E +H 102 0D 0 18,-0.6 18,-3.0 -2,-0.4 -31,-0.1 -0.959 33.0 39.1-143.9 168.1 13.7 47.8 50.0 85 131 A D E - 0 0 8 -2,-0.3 -1,-0.2 16,-0.2 73,-0.1 0.987 65.4-152.8 56.9 74.9 11.5 46.2 47.3 86 132 A P E - 0 0 0 0, 0.0 75,-1.6 0, 0.0 2,-0.4 -0.395 17.7-177.2 -79.4 149.8 8.2 45.3 49.1 87 133 A S E -Hi 100 161D 0 13,-1.6 13,-3.1 73,-0.3 75,-0.3 -0.979 15.1-147.4-142.9 124.5 5.8 42.6 48.1 88 134 A Y E -Hi 99 162D 0 73,-2.1 75,-2.9 -2,-0.4 2,-0.3 -0.647 14.6-178.6 -88.6 155.7 2.6 42.0 50.0 89 135 A L E -H 98 0D 0 9,-1.8 9,-3.0 -2,-0.3 2,-0.5 -0.937 9.0-159.9-155.9 121.5 1.0 38.5 50.5 90 136 A V E -H 97 0D 6 -2,-0.3 2,-1.0 73,-0.2 7,-0.2 -0.951 13.4-145.2-111.0 128.4 -2.3 38.0 52.3 91 137 A D > - 0 0 0 5,-3.1 4,-2.8 -2,-0.5 5,-0.5 -0.837 15.2-170.0 -89.7 103.6 -3.3 34.6 53.7 92 138 A R T 4 S+ 0 0 94 -2,-1.0 -1,-0.2 1,-0.2 5,-0.0 0.707 81.1 58.6 -68.6 -21.0 -7.1 34.8 53.1 93 139 A E T 4 S+ 0 0 118 80,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.946 122.9 18.9 -76.0 -44.9 -7.6 31.7 55.2 94 140 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 104,-0.0 -1,-0.1 0.658 99.3-122.0 -99.1 -20.4 -6.1 33.1 58.4 95 141 A G < + 0 0 22 -4,-2.8 39,-0.4 1,-0.3 2,-0.2 0.559 60.8 145.3 89.8 7.7 -6.2 36.8 57.7 96 142 A T - 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