==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4B7Q . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/CALIFORNIA/07/200 . AUTHOR J.LIU,E.VAN DER VRIES,S.G.VACHIERI,X.XIONG,P.J.COLLINS,P.A.W . 1548 4 32 32 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 936 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 520 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 125 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 2.8 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+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 5 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 RESIDUES PER ALPHA HELIX . 5 2 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 . 4 0 4 10 15 31 6 2 4 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 17 7 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 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 83 A V 0 0 133 0, 0.0 3,-0.1 0, 0.0 328,-0.0 0.000 360.0 360.0 360.0 127.9 0.3 22.2 -15.3 2 84 A K - 0 0 100 1,-0.1 2,-0.5 151,-0.1 103,-0.3 -0.032 360.0-110.9 -47.3 142.5 2.0 24.9 -17.4 3 85 A L - 0 0 8 101,-2.5 150,-1.1 1,-0.2 151,-0.7 -0.694 27.7-148.4 -70.6 126.6 5.7 25.9 -17.3 4 86 A A - 0 0 32 -2,-0.5 149,-0.6 148,-0.2 -1,-0.2 0.959 11.0-168.6 -67.0 -54.3 5.7 29.3 -15.8 5 87 A G + 0 0 2 147,-0.2 199,-3.1 -3,-0.1 200,-0.2 0.351 55.4 110.7 79.7 -5.6 8.8 30.8 -17.5 6 88 A N + 0 0 115 197,-0.2 2,-0.1 198,-0.1 -1,-0.1 0.593 54.6 85.9 -81.1 -11.2 8.7 33.7 -15.1 7 89 A S S S- 0 0 22 1,-0.1 196,-2.7 196,-0.1 197,-0.4 -0.411 76.3-106.6 -93.8 168.8 11.9 32.9 -13.1 8 90 A S - 0 0 60 326,-0.3 328,-2.3 194,-0.2 2,-0.1 -0.445 37.5 -88.1 -93.7 161.3 15.5 33.8 -13.8 9 91 A L B -a 336 0A 7 326,-0.2 328,-0.2 -2,-0.1 -1,-0.1 -0.431 48.7-110.8 -61.4 136.0 18.4 31.7 -14.9 10 92 A a - 0 0 12 326,-2.0 2,-0.2 -2,-0.1 -1,-0.1 -0.545 26.4-122.9 -67.7 128.0 20.3 30.1 -12.0 11 93 A P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.558 37.4-170.2 -66.5 138.2 23.8 31.5 -11.5 12 94 A V - 0 0 13 -2,-0.2 355,-0.2 1,-0.1 3,-0.1 -0.998 27.5-164.6-142.2 133.0 26.1 28.5 -11.7 13 95 A S S S- 0 0 54 353,-1.2 2,-0.3 -2,-0.4 354,-0.2 0.752 74.4 -10.0 -88.4 -26.0 29.8 28.3 -10.9 14 96 A G E -B 366 0B 1 352,-1.7 352,-2.2 354,-0.1 2,-0.5 -0.904 69.6 -96.4-161.7-177.8 30.5 25.0 -12.8 15 97 A W E -B 365 0B 3 -2,-0.3 2,-0.4 350,-0.2 356,-0.3 -0.957 20.3-157.4-127.2 119.2 29.0 22.0 -14.6 16 98 A A E -B 364 0B 3 348,-2.3 348,-2.5 -2,-0.5 502,-0.1 -0.742 34.4-106.6 -90.2 137.4 28.3 18.6 -13.1 17 99 A I E +B 363 0B 8 -2,-0.4 346,-0.3 346,-0.2 466,-0.2 -0.360 40.3 173.9 -68.7 143.0 28.1 15.7 -15.6 18 100 A Y E + 0 0 8 344,-3.5 2,-0.3 1,-0.4 345,-0.2 0.785 53.3 7.4-121.5 -49.8 24.6 14.5 -16.3 19 101 A S E +B 362 0B 0 343,-1.1 343,-2.2 463,-0.1 -1,-0.4 -0.972 42.3 176.3-136.4 155.2 24.4 11.9 -19.0 20 102 A K E -B 361 0B 1 -2,-0.3 341,-0.2 341,-0.2 462,-0.1 -0.808 5.3-175.8-153.9 121.6 26.6 9.8 -21.2 21 103 A D - 0 0 11 339,-1.6 340,-0.1 -2,-0.3 5,-0.1 0.748 20.8-147.5 -92.3 -27.9 25.1 7.2 -23.6 22 104 A N > + 0 0 2 338,-0.4 4,-2.7 3,-0.1 5,-0.3 0.877 37.8 160.3 58.5 42.2 28.0 5.4 -25.2 23 105 A S H > + 0 0 3 1,-0.2 4,-2.4 2,-0.2 336,-0.1 0.870 66.0 41.0 -67.0 -43.6 25.9 5.0 -28.4 24 106 A V H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.886 116.6 50.4 -75.1 -38.6 28.6 4.4 -31.0 25 107 A R H >4 S+ 0 0 21 352,-0.2 3,-1.2 1,-0.2 420,-0.2 0.960 116.7 40.1 -60.8 -52.3 30.5 2.1 -28.7 26 108 A I H >X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-2.1 0.876 106.8 66.5 -63.9 -37.8 27.4 0.1 -27.9 27 109 A G T 3< S+ 0 0 0 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.583 79.5 81.1 -58.5 -12.7 26.4 0.3 -31.5 28 110 A S T <4 S- 0 0 9 -3,-1.2 -1,-0.3 -4,-0.4 356,-0.2 0.715 121.8 -2.4 -66.3 -20.6 29.4 -1.8 -32.4 29 111 A K T <4 S+ 0 0 39 -3,-2.1 -2,-0.2 -4,-0.2 -3,-0.1 0.535 119.9 75.6-134.5 -54.2 27.3 -4.8 -31.4 30 112 A G S < S- 0 0 0 -4,-2.2 2,-1.2 -5,-0.1 28,-0.2 -0.200 94.6 -93.9 -65.2 158.6 23.9 -3.8 -30.1 31 113 A D + 0 0 10 26,-0.1 2,-0.4 -3,-0.1 57,-0.3 -0.635 61.8 164.2 -80.2 98.1 21.2 -2.6 -32.4 32 114 A V - 0 0 0 -2,-1.2 26,-2.4 -5,-0.3 54,-0.2 -0.926 37.3-115.4-121.5 136.9 21.7 1.2 -32.4 33 115 A F E -E 57 0C 9 52,-2.5 2,-0.7 -2,-0.4 24,-0.3 -0.473 22.9-125.3 -65.9 136.3 20.4 3.8 -34.8 34 116 A V E + 0 0 0 22,-2.4 20,-2.3 -2,-0.2 22,-0.5 -0.775 54.3 158.4 -70.8 119.5 22.9 5.8 -36.8 35 117 A I E -E 53 0C 5 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.691 26.0-178.0-130.2-175.6 21.8 9.2 -35.8 36 118 A R E +E 52 0C 19 16,-0.8 16,-2.2 -2,-0.2 322,-0.0 -0.904 60.0 50.4-172.9 173.6 23.1 12.8 -35.6 37 119 A E E S+ 0 0 11 -2,-0.3 -1,-0.1 14,-0.2 2,-0.1 0.942 70.9 176.1 54.2 54.1 21.8 16.2 -34.4 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.426 5.0 173.4 -82.3 167.4 20.8 14.9 -31.0 39 121 A F E -E 50 0C 1 11,-2.1 11,-3.3 -2,-0.1 2,-0.4 -0.939 24.9-124.5-167.3 152.7 19.4 17.2 -28.2 40 122 A I E +E 49 0C 1 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.839 25.2 170.2-105.0 134.9 17.8 17.0 -24.8 41 123 A S E -E 48 0C 3 7,-1.6 7,-2.5 -2,-0.4 2,-0.4 -0.992 20.0-143.0-134.9 148.1 14.5 18.5 -23.7 42 124 A b E -E 47 0C 11 283,-0.4 61,-0.4 -2,-0.3 5,-0.3 -0.918 3.8-155.8-116.5 133.7 12.7 17.9 -20.4 43 125 A S - 0 0 13 3,-2.9 284,-0.1 -2,-0.4 63,-0.0 -0.364 48.9 -95.2 -81.5 175.6 9.0 17.6 -19.6 44 126 A P S S+ 0 0 25 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.587 126.7 35.3 -73.7 1.7 8.0 18.4 -16.0 45 127 A L S S+ 0 0 157 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.693 123.3 12.0-117.1 -35.2 8.3 14.7 -15.4 46 128 A E - 0 0 79 2,-0.0 -3,-2.9 34,-0.0 2,-0.4 -0.927 58.1-129.2-144.0 164.4 11.1 13.3 -17.5 47 129 A b E -E 42 0C 11 -2,-0.3 34,-2.1 -5,-0.3 2,-0.3 -0.982 30.1-171.6-118.3 132.0 14.1 14.2 -19.7 48 130 A R E -EF 41 80C 15 -7,-2.5 -7,-1.6 -2,-0.4 2,-0.6 -0.847 22.2-128.5-123.4 156.2 14.4 12.7 -23.2 49 131 A T E -EF 40 79C 5 30,-4.3 30,-2.2 -2,-0.3 2,-0.4 -0.922 21.0-162.2-101.8 123.9 17.0 12.6 -25.9 50 132 A F E +EF 39 78C 0 -11,-3.3 -11,-2.1 -2,-0.6 2,-0.3 -0.895 16.7 172.7-101.5 135.8 15.7 13.6 -29.4 51 133 A F E - F 0 77C 0 26,-2.0 26,-1.9 -2,-0.4 2,-0.8 -0.921 36.0-120.1-138.1 160.6 17.8 12.5 -32.3 52 134 A L E -EF 36 76C 0 -16,-2.2 -16,-0.8 -2,-0.3 24,-0.2 -0.908 33.8-153.7-102.5 105.7 17.6 12.5 -36.1 53 135 A T E -E 35 0C 1 22,-2.5 22,-0.3 -2,-0.8 -18,-0.2 -0.369 16.9-145.8 -70.1 156.9 17.9 8.9 -37.3 54 136 A Q E - 0 0 8 -20,-2.3 20,-0.2 2,-0.3 -19,-0.1 0.261 50.3-108.7 -99.1 6.7 19.2 8.1 -40.7 55 137 A G E S+ 0 0 0 -21,-0.3 2,-0.3 1,-0.3 -20,-0.1 0.830 88.2 94.9 68.6 33.5 16.8 5.2 -40.7 56 138 A A E - 0 0 0 -22,-0.5 -22,-2.4 7,-0.1 -2,-0.3 -0.945 69.5-115.7-145.8 167.2 19.6 2.7 -40.3 57 139 A L E > -E 33 0C 0 1132,-0.3 3,-0.7 -2,-0.3 2,-0.3 -0.666 38.1 -96.0-101.5 161.1 21.5 0.7 -37.7 58 140 A L T 3 S+ 0 0 0 -26,-2.4 -26,-0.2 -2,-0.2 3,-0.1 -0.584 106.6 18.5 -75.2 137.3 25.2 0.9 -36.8 59 141 A N T 3 S+ 0 0 26 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.867 101.4 111.3 71.5 42.1 27.4 -1.6 -38.5 60 142 A D S X S- 0 0 13 -3,-0.7 3,-2.1 1,-0.0 4,-0.3 -0.966 81.0-104.9-142.3 155.8 25.0 -2.5 -41.3 61 143 A K G > S+ 0 0 58 -2,-0.3 3,-1.2 1,-0.3 -2,-0.0 0.739 113.1 63.8 -54.8 -24.2 25.0 -1.8 -45.1 62 144 A H G 3 S+ 0 0 13 1,-0.3 -1,-0.3 1127,-0.2 -4,-0.1 0.629 84.0 72.5 -84.3 -8.3 22.4 1.0 -44.8 63 145 A S G X S+ 0 0 0 -3,-2.1 3,-2.0 -6,-0.2 293,-0.3 0.650 73.1 117.9 -73.2 -14.8 24.7 3.2 -42.8 64 146 A N T < S+ 0 0 108 -3,-1.2 291,-0.2 -4,-0.3 290,-0.0 -0.301 80.9 12.2 -49.2 122.0 26.5 3.6 -46.1 65 147 A G T > S+ 0 0 30 289,-2.1 3,-2.6 1,-0.1 -1,-0.3 0.481 78.1 143.7 88.7 3.5 26.4 7.3 -47.1 66 148 A T T < + 0 0 7 -3,-2.0 289,-0.1 288,-0.7 -2,-0.1 0.359 53.5 84.0 -68.6 8.7 25.1 8.6 -43.8 67 149 A I T 3 + 0 0 74 287,-0.2 -1,-0.3 282,-0.0 288,-0.1 0.763 68.3 109.7 -69.0 -27.5 27.2 11.8 -44.2 68 150 A K < - 0 0 134 -3,-2.6 288,-0.1 1,-0.1 3,-0.1 -0.257 63.1-154.0 -54.1 121.3 24.2 12.9 -46.2 69 151 A D S S+ 0 0 89 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.909 71.5 33.2 -65.7 -42.6 22.3 15.6 -44.3 70 152 A R + 0 0 60 3,-0.0 -1,-0.1 44,-0.0 47,-0.1 -0.921 60.1 134.3-127.8 143.0 18.9 15.0 -45.8 71 153 A S > - 0 0 13 -2,-0.4 3,-1.0 3,-0.1 44,-0.1 -0.961 59.6-100.2-167.8 165.5 16.8 12.1 -47.2 72 154 A P T 3 S+ 0 0 19 0, 0.0 1465,-0.0 0, 0.0 -2,-0.0 0.512 115.2 62.6 -70.8 -3.2 13.2 10.7 -47.0 73 155 A Y T 3 S+ 0 0 48 -19,-0.1 2,-0.5 22,-0.1 -20,-0.1 0.591 73.9 108.0 -99.1 -11.4 14.4 8.1 -44.4 74 156 A R < + 0 0 2 -3,-1.0 22,-1.5 -20,-0.2 2,-0.3 -0.532 47.2 179.6 -71.1 119.0 15.4 10.5 -41.7 75 157 A T E - G 0 95C 3 -2,-0.5 -22,-2.5 -22,-0.3 2,-0.7 -0.927 30.3-123.3-119.9 147.4 13.0 10.4 -38.8 76 158 A L E +FG 52 94C 0 18,-3.5 18,-2.0 -2,-0.3 17,-1.9 -0.803 41.3 175.0 -86.5 117.5 12.9 12.4 -35.5 77 159 A M E -FG 51 92C 7 -26,-1.9 -26,-2.0 -2,-0.7 2,-0.3 -0.746 17.3-144.0-121.0 171.9 12.8 9.8 -32.6 78 160 A S E +FG 50 91C 0 13,-1.9 13,-3.1 -2,-0.2 -28,-0.2 -0.986 17.6 167.3-140.6 141.4 13.0 10.0 -28.8 79 161 A C E -F 49 0C 0 -30,-2.2 -30,-4.3 -2,-0.3 11,-0.1 -0.977 45.7 -76.9-149.4 160.8 14.5 8.0 -26.0 80 162 A P E > -F 48 0C 32 0, 0.0 3,-2.0 0, 0.0 -32,-0.2 -0.370 65.9 -87.3 -59.0 135.7 15.2 8.4 -22.2 81 163 A I T 3 S+ 0 0 26 -34,-2.1 399,-0.3 1,-0.3 3,-0.1 -0.090 110.6 12.8 -50.3 132.4 18.2 10.6 -21.4 82 164 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.3 -3,-0.1 399,-0.1 0.110 99.3 117.2 90.0 -20.8 21.5 8.7 -21.3 83 165 A E S < S- 0 0 28 -3,-2.0 -1,-0.3 397,-0.1 -62,-0.1 -0.377 75.2 -99.3 -77.1 159.1 20.1 5.6 -22.9 84 166 A V - 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