==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, HYDROLASE 18-MAR-08 3CKZ . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS . AUTHOR P.COLLLINS,L.F.HAIRE,Y.P.LIN,J.LIU,R.J.RUSSELL,P.A.WALKER, . 385 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 33.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.9 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 4 8 2 0 1 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 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 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 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.4 -16.5 -54.4 40.7 2 84 A K - 0 0 65 1,-0.1 103,-0.3 2,-0.0 2,-0.2 -0.389 360.0-101.6 -70.3 138.4 -19.7 -54.2 38.7 3 85 A L - 0 0 3 101,-2.2 150,-1.2 1,-0.1 151,-0.9 -0.447 31.7-151.2 -51.5 118.9 -20.7 -51.1 36.8 4 86 A A - 0 0 29 -2,-0.2 149,-0.5 148,-0.2 -1,-0.1 0.921 8.9-167.5 -66.5 -46.6 -23.3 -49.4 39.0 5 87 A G + 0 0 3 147,-0.2 199,-2.7 1,-0.1 200,-0.2 0.718 51.8 118.0 61.5 23.8 -25.3 -47.7 36.3 6 88 A N + 0 0 119 197,-0.3 2,-0.2 198,-0.1 -1,-0.1 0.436 48.0 92.1 -99.0 -4.7 -27.1 -45.7 39.1 7 89 A S S S- 0 0 18 1,-0.1 196,-2.7 196,-0.1 197,-0.3 -0.576 75.7-115.1 -92.5 152.9 -25.9 -42.2 37.8 8 90 A S - 0 0 69 326,-0.3 328,-2.7 194,-0.2 -1,-0.1 -0.354 42.5 -80.6 -79.4 166.4 -27.8 -39.9 35.5 9 91 A L B -a 336 0A 15 326,-0.2 328,-0.2 1,-0.1 -1,-0.1 -0.408 53.2-103.4 -63.5 140.9 -26.7 -38.9 32.0 10 92 A a - 0 0 8 326,-2.9 2,-0.2 -2,-0.1 -1,-0.1 -0.380 34.0-110.9 -61.1 139.5 -24.1 -36.1 31.9 11 93 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.582 47.5-178.7 -69.4 138.5 -25.4 -32.6 30.9 12 94 A I - 0 0 21 -2,-0.2 355,-0.3 1,-0.1 3,-0.1 -0.898 36.0-164.4-138.8 163.4 -24.0 -31.8 27.4 13 95 A N S S- 0 0 101 353,-3.3 2,-0.3 1,-0.4 354,-0.2 0.532 73.7 -27.9-119.4 -21.0 -24.0 -29.0 24.9 14 96 A G E -B 366 0B 0 352,-1.6 352,-2.8 355,-0.1 2,-0.5 -0.942 68.9 -74.6-177.8-170.4 -22.7 -30.8 21.8 15 97 A W E -B 365 0B 2 -2,-0.3 356,-0.5 350,-0.2 2,-0.4 -0.951 28.5-159.5-124.7 122.9 -20.7 -33.6 20.3 16 98 A A E -B 364 0B 37 348,-2.5 348,-2.2 -2,-0.5 2,-0.1 -0.836 35.4-100.4-102.0 138.4 -16.9 -33.8 20.1 17 99 A V E +B 363 0B 74 -2,-0.4 346,-0.3 346,-0.2 3,-0.1 -0.361 43.4 171.1 -61.4 133.6 -15.2 -36.1 17.5 18 100 A Y E - 0 0 103 344,-3.3 2,-0.3 1,-0.4 345,-0.2 0.795 54.3 -5.3-110.9 -50.1 -14.0 -39.3 19.2 19 101 A S E -B 362 0B 15 343,-1.5 343,-2.0 64,-0.0 -1,-0.4 -0.960 39.1-176.6-146.9 162.6 -12.8 -41.7 16.5 20 102 A K E -B 361 0B 52 -2,-0.3 341,-0.2 341,-0.2 357,-0.0 -0.818 7.3-168.6-158.3 122.1 -12.6 -42.4 12.8 21 103 A D - 0 0 5 339,-1.9 63,-0.1 -2,-0.3 5,-0.1 0.654 16.2-151.7 -93.0 -16.6 -11.2 -45.7 11.6 22 104 A N > + 0 0 51 338,-0.5 4,-2.4 1,-0.1 5,-0.2 0.798 36.8 159.3 52.9 31.0 -10.7 -44.9 7.9 23 105 A S H > + 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.841 63.9 44.1 -58.7 -43.2 -11.3 -48.7 7.3 24 106 A I H > S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.914 113.0 51.2 -74.8 -41.5 -12.3 -48.7 3.7 25 107 A R H >4 S+ 0 0 140 352,-0.3 3,-0.7 1,-0.2 4,-0.3 0.905 115.5 43.3 -54.0 -46.3 -9.6 -46.2 2.6 26 108 A I H >X S+ 0 0 82 -4,-2.4 4,-3.1 1,-0.2 3,-1.5 0.864 106.8 61.6 -71.3 -36.0 -7.0 -48.4 4.4 27 109 A G H 3< S+ 0 0 1 -4,-2.2 5,-0.2 1,-0.3 -1,-0.2 0.572 79.9 83.3 -70.0 -12.9 -8.5 -51.6 3.0 28 110 A S T << S+ 0 0 57 -4,-0.7 -1,-0.3 -3,-0.7 356,-0.2 0.835 121.7 0.8 -55.4 -33.7 -7.8 -50.5 -0.6 29 111 A K T <4 S+ 0 0 199 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.1 0.657 122.9 73.8-121.3 -42.8 -4.3 -52.0 0.1 30 112 A G S < S- 0 0 27 -4,-3.1 2,-1.5 -5,-0.1 28,-0.1 -0.182 91.6 -95.2 -79.1 170.7 -4.3 -53.4 3.6 31 113 A D + 0 0 67 26,-0.1 2,-0.4 -3,-0.0 57,-0.4 -0.653 61.9 157.6 -89.4 84.3 -5.8 -56.5 5.0 32 114 A V - 0 0 4 -2,-1.5 26,-2.8 -5,-0.2 54,-0.3 -0.919 41.0-112.3-115.5 132.6 -9.1 -55.1 6.3 33 115 A F E -E 57 0C 23 52,-2.9 2,-0.6 -2,-0.4 24,-0.3 -0.306 21.4-120.8 -60.1 140.5 -12.3 -57.1 6.9 34 116 A V E + 0 0 0 22,-3.2 20,-2.1 323,-0.1 22,-0.4 -0.775 55.4 163.5 -69.3 122.8 -15.4 -56.6 4.8 35 117 A I E +E 53 0C 4 -2,-0.6 323,-0.8 18,-0.3 2,-0.3 -0.888 27.5 179.9-137.0 164.8 -17.8 -55.7 7.6 36 118 A R E +E 52 0C 22 16,-1.7 16,-2.0 -2,-0.3 -2,-0.0 -0.935 62.7 44.2-153.4 177.2 -21.2 -54.1 8.4 37 119 A E E S+ 0 0 8 -2,-0.3 2,-0.1 14,-0.2 -1,-0.1 0.948 71.3 177.4 54.3 54.9 -23.2 -53.4 11.6 38 120 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.506 4.3 176.2 -80.9 160.3 -20.3 -52.1 13.6 39 121 A F E -E 50 0C 2 11,-2.6 11,-4.1 -2,-0.1 2,-0.4 -0.971 23.0-130.8-157.0 156.5 -20.8 -50.7 17.2 40 122 A I E +E 49 0C 1 -2,-0.3 108,-0.5 9,-0.3 2,-0.3 -0.867 25.0 170.6-108.9 142.2 -18.7 -49.4 20.0 41 123 A S E -E 48 0C 1 7,-2.1 7,-2.8 -2,-0.4 2,-0.3 -0.977 14.6-151.6-146.8 147.2 -18.9 -50.5 23.7 42 124 A b E -E 47 0C 7 283,-0.5 61,-0.6 -2,-0.3 5,-0.3 -0.792 4.2-158.9-118.9 157.8 -16.7 -49.8 26.7 43 125 A S - 0 0 6 3,-3.2 284,-0.3 -2,-0.3 287,-0.1 -0.224 51.8 -80.7-105.9-156.8 -15.7 -51.4 29.9 44 126 A H S S+ 0 0 61 -2,-0.1 3,-0.1 286,-0.1 282,-0.0 0.525 130.6 24.5 -80.6 -7.6 -14.3 -49.9 33.1 45 127 A L S S+ 0 0 133 1,-0.3 2,-0.3 286,-0.0 -1,-0.1 0.670 121.9 19.5-127.8 -34.5 -10.9 -49.9 31.3 46 128 A E - 0 0 66 2,-0.0 -3,-3.2 34,-0.0 2,-0.4 -0.894 54.2-131.6-141.5 166.5 -11.2 -49.8 27.5 47 129 A b E -E 42 0C 13 -2,-0.3 34,-1.7 -5,-0.3 2,-0.3 -0.993 27.5-172.7-122.2 133.3 -13.4 -49.1 24.5 48 130 A R E -EF 41 80C 14 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.6 -0.913 22.6-132.3-125.7 148.6 -13.8 -51.5 21.6 49 131 A T E -EF 40 79C 6 30,-3.3 30,-2.0 -2,-0.3 2,-0.3 -0.905 24.1-162.8 -95.8 124.1 -15.4 -51.6 18.2 50 132 A F E +EF 39 78C 0 -11,-4.1 -11,-2.6 -2,-0.6 2,-0.3 -0.743 16.2 168.9 -99.1 154.9 -17.5 -54.7 17.6 51 133 A F E - F 0 77C 2 26,-2.1 26,-2.2 -2,-0.3 2,-0.8 -0.990 39.0-116.5-163.9 156.3 -18.5 -55.7 14.0 52 134 A L E -EF 36 76C 1 -16,-2.0 -16,-1.7 -2,-0.3 24,-0.2 -0.889 35.5-157.9-100.8 107.3 -20.0 -58.3 11.8 53 135 A T E -EF 35 75C 0 22,-3.1 22,-0.5 -2,-0.8 -18,-0.3 -0.310 20.1-137.9 -73.9 165.5 -17.3 -59.5 9.4 54 136 A Q E - 0 0 19 -20,-2.1 20,-0.2 2,-0.4 -19,-0.1 0.103 49.9-107.1-103.8 18.1 -18.3 -61.2 6.1 55 137 A G E S+ 0 0 45 -21,-0.3 2,-0.3 1,-0.2 19,-0.1 0.865 92.7 88.4 57.6 38.6 -15.4 -63.6 6.7 56 138 A A E S- 0 0 9 -22,-0.4 -22,-3.2 7,-0.1 -2,-0.4 -0.979 72.3-116.1-159.8 159.3 -13.5 -61.8 3.9 57 139 A L E > -E 33 0C 44 -24,-0.3 3,-1.1 -2,-0.3 6,-0.3 -0.768 37.2 -96.2-106.3 150.8 -11.2 -58.9 3.1 58 140 A L T 3 S+ 0 0 8 -26,-2.8 -26,-0.2 -2,-0.3 3,-0.1 -0.250 106.5 21.4 -61.0 146.9 -11.7 -55.8 1.1 59 141 A N T 3 S+ 0 0 36 1,-0.2 2,-0.3 326,-0.1 -1,-0.2 0.676 100.7 112.3 63.9 22.5 -10.5 -55.8 -2.6 60 142 A D S X S- 0 0 68 -3,-1.1 3,-2.3 1,-0.1 -1,-0.2 -0.910 80.1-114.9-120.3 151.4 -10.5 -59.7 -2.6 61 143 A K G > S+ 0 0 155 -2,-0.3 3,-2.0 1,-0.3 -2,-0.1 0.772 111.0 69.2 -56.2 -29.4 -12.9 -61.9 -4.7 62 144 A H G 3 S+ 0 0 123 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.588 83.2 73.5 -69.7 -8.0 -14.5 -63.3 -1.5 63 145 A S G X S+ 0 0 0 -3,-2.3 3,-1.5 -6,-0.3 293,-0.3 0.558 71.9 121.7 -75.2 -10.1 -16.0 -59.8 -1.0 64 146 A N T < S+ 0 0 108 -3,-2.0 291,-0.2 1,-0.2 290,-0.1 -0.349 78.7 7.7 -55.7 126.9 -18.4 -60.7 -3.9 65 147 A G T > S+ 0 0 38 289,-2.6 3,-1.9 1,-0.1 -1,-0.2 0.601 79.0 142.6 79.7 16.9 -22.1 -60.5 -2.9 66 148 A T T < + 0 0 9 -3,-1.5 289,-0.1 288,-0.6 -2,-0.1 0.399 52.2 84.4 -79.4 5.7 -21.5 -59.0 0.6 67 149 A V T 3 S+ 0 0 72 287,-0.3 -1,-0.3 282,-0.0 288,-0.1 0.765 71.9 105.8 -63.6 -25.3 -24.6 -56.8 0.3 68 150 A K < - 0 0 131 -3,-1.9 288,-0.1 1,-0.1 3,-0.1 -0.301 66.9-148.5 -63.9 135.3 -26.2 -60.0 1.5 69 151 A D + 0 0 81 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 0.835 69.6 36.2 -77.4 -39.0 -27.3 -59.9 5.2 70 152 A R + 0 0 59 3,-0.0 -1,-0.1 -16,-0.0 27,-0.1 -0.965 58.5 140.0-131.8 136.5 -26.9 -63.4 6.5 71 153 A S > - 0 0 28 -2,-0.4 3,-0.6 -3,-0.1 44,-0.1 -0.963 56.5-108.2-159.7 164.3 -24.4 -66.2 6.0 72 154 A P T 3 S+ 0 0 99 0, 0.0 24,-0.0 0, 0.0 -2,-0.0 0.626 114.8 60.2 -71.5 -14.1 -22.6 -69.0 7.9 73 155 A H T 3 S+ 0 0 126 -19,-0.1 2,-0.2 22,-0.1 -20,-0.1 0.605 75.5 110.3 -92.4 -13.5 -19.3 -67.1 7.4 74 156 A R < - 0 0 2 -3,-0.6 22,-1.4 -20,-0.2 2,-0.4 -0.442 48.6-176.1 -65.1 129.6 -20.4 -63.9 9.2 75 157 A T E -FG 53 95C 24 -22,-0.5 -22,-3.1 20,-0.3 2,-0.5 -0.985 28.2-127.4-132.3 142.5 -18.6 -63.5 12.5 76 158 A L E +FG 52 94C 0 18,-3.0 17,-2.6 -2,-0.4 18,-1.9 -0.772 42.2 161.2 -81.5 124.6 -18.7 -61.1 15.4 77 159 A M E -FG 51 92C 22 -26,-2.2 -26,-2.1 -2,-0.5 2,-0.3 -0.855 21.0-150.6-135.4 168.9 -15.2 -59.7 16.1 78 160 A S E +FG 50 91C 0 13,-2.0 13,-3.1 -2,-0.3 -28,-0.2 -0.989 12.2 176.5-143.6 154.1 -13.7 -56.7 18.0 79 161 A C E -F 49 0C 0 -30,-2.0 -30,-3.3 -2,-0.3 11,-0.1 -0.949 47.6 -72.7-144.6 162.5 -10.7 -54.4 17.9 80 162 A P E > -F 48 0C 38 0, 0.0 3,-1.5 0, 0.0 -32,-0.2 -0.289 69.2 -85.2 -53.6 144.8 -9.6 -51.3 19.8 81 163 A V T 3 S+ 0 0 38 -34,-1.7 3,-0.1 1,-0.2 -34,-0.1 -0.206 110.5 18.6 -56.5 138.2 -11.7 -48.2 18.8 82 164 A G T 3 S+ 0 0 26 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.365 95.0 116.9 86.7 -5.1 -10.5 -46.2 15.8 83 165 A E S < S- 0 0 86 -3,-1.5 -1,-0.3 6,-0.1 -62,-0.1 -0.729 74.5-106.9 -95.0 144.4 -8.4 -49.0 14.3 84 166 A A - 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