==== 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/IMMUNE SYSTEM 23-JUL-05 2AEQ . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR L.VENKATRAMANI,A.BOCHKAREV,G.M.AIR . 611 3 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 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 . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.8 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+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 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 . 1 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 PARALLEL BRIDGES PER LADDER . 4 5 5 3 6 7 4 1 2 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 6 2 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 82 A A 0 0 117 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0-172.6 150.9 70.8 71.6 2 83 A E - 0 0 162 103,-0.3 151,-0.0 1,-0.0 152,-0.0 -0.941 360.0 -75.4-146.1 168.1 148.3 68.0 71.6 3 84 A Y - 0 0 68 -2,-0.3 2,-0.4 1,-0.1 102,-0.3 -0.197 45.8-117.0 -60.1 147.6 146.1 65.6 69.5 4 85 A R + 0 0 21 100,-2.1 149,-1.5 1,-0.1 150,-0.3 -0.749 31.3 175.5 -87.3 131.9 143.0 66.9 68.0 5 86 A N - 0 0 59 -2,-0.4 -1,-0.1 147,-0.3 147,-0.1 0.210 31.7-140.5-120.1 12.3 139.9 65.2 69.4 6 87 A W + 0 0 6 1,-0.2 2,-1.3 145,-0.1 197,-0.6 0.732 39.6 161.8 32.1 44.5 137.4 67.3 67.5 7 88 A S + 0 0 61 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.489 32.9 98.5 -93.5 68.6 135.0 67.5 70.5 8 89 A K S S- 0 0 58 -2,-1.3 195,-0.2 -3,-0.1 328,-0.2 -0.954 77.5 -88.2-143.3 159.9 132.8 70.4 69.5 9 90 A P - 0 0 94 0, 0.0 328,-2.2 0, 0.0 2,-0.7 -0.338 46.4-101.2 -70.1 154.4 129.4 70.9 68.0 10 91 A Q B -a 337 0A 42 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.655 49.6-111.4 -75.8 113.0 129.0 71.1 64.2 11 92 A a - 0 0 22 326,-2.4 2,-0.4 -2,-0.7 -1,-0.1 0.074 32.9 -97.9 -42.3 155.4 128.6 74.8 63.5 12 93 A K - 0 0 175 -3,-0.1 2,-0.5 355,-0.1 -1,-0.1 -0.628 45.9-167.6 -76.9 130.3 125.2 76.1 62.3 13 94 A I + 0 0 13 -2,-0.4 356,-0.3 -3,-0.1 3,-0.1 -0.950 30.4 179.2-134.3 124.3 125.2 76.4 58.5 14 95 A T S S- 0 0 61 354,-2.2 2,-0.3 -2,-0.5 355,-0.2 0.456 77.2 -58.1 -89.2 -5.1 122.7 78.2 56.2 15 96 A G E S-B 368 0A 0 353,-1.0 353,-2.5 356,-0.1 2,-0.3 -0.976 71.2 -62.9 159.1-152.2 124.9 77.2 53.2 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.3 351,-0.3 324,-0.1 -0.889 32.6-147.5-130.7 158.8 128.4 77.8 52.0 17 98 A A E -B 366 0A 31 349,-3.5 349,-2.0 -2,-0.3 355,-0.1 -0.916 36.3 -86.3-127.5 153.5 130.6 80.7 51.0 18 99 A P E +B 365 0A 82 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.272 51.4 161.8 -52.9 137.8 133.5 81.2 48.6 19 100 A F E - 0 0 99 345,-2.2 2,-0.3 1,-0.3 346,-0.2 0.664 52.9 -15.3-129.0 -38.8 136.7 80.2 50.3 20 101 A S E -B 364 0A 26 344,-2.2 344,-3.3 63,-0.0 2,-0.3 -0.944 42.9-177.5-171.3 148.8 139.5 79.5 47.7 21 102 A K E -B 363 0A 55 -2,-0.3 342,-0.2 342,-0.2 358,-0.0 -0.978 8.5-165.2-150.0 137.8 140.3 78.9 44.0 22 103 A D - 0 0 6 340,-1.3 5,-0.1 -2,-0.3 341,-0.1 0.266 17.9-148.3-114.2 12.8 143.7 78.2 42.4 23 104 A N > + 0 0 54 339,-0.4 4,-2.2 1,-0.1 5,-0.2 0.631 36.1 161.0 24.3 37.3 143.1 78.8 38.6 24 105 A S H > + 0 0 3 1,-0.2 4,-1.6 2,-0.2 337,-0.2 0.911 65.8 45.2 -44.9 -64.4 145.7 76.1 37.9 25 106 A I H >> S+ 0 0 2 1,-0.2 4,-0.9 2,-0.2 3,-0.5 0.909 111.8 50.8 -51.1 -51.6 144.8 75.3 34.3 26 107 A R H >4 S+ 0 0 142 353,-0.3 3,-1.0 1,-0.2 -1,-0.2 0.921 110.6 51.4 -53.9 -45.2 144.4 78.9 33.2 27 108 A L H >< S+ 0 0 83 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.781 97.2 67.3 -61.6 -32.5 147.8 79.6 34.7 28 109 A S H X< S+ 0 0 1 -4,-1.6 3,-1.0 -3,-0.5 -1,-0.2 0.779 82.3 75.5 -60.3 -29.6 149.4 76.7 32.8 29 110 A A T << S+ 0 0 48 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.633 119.0 12.2 -59.1 -14.2 148.9 78.4 29.5 30 111 A G T < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.2 2,-0.2 -0.344 124.0 49.9-161.9 66.7 151.8 80.6 30.5 31 112 A G S < S- 0 0 35 -3,-1.0 2,-1.2 2,-0.1 -1,-0.2 -0.533 87.4 -93.9 160.6 131.5 153.6 79.2 33.4 32 113 A D + 0 0 97 -2,-0.2 56,-0.6 27,-0.1 2,-0.4 -0.446 57.4 163.6 -66.2 96.6 155.1 75.8 34.5 33 114 A I B -E 87 0B 12 -2,-1.2 26,-2.3 54,-0.2 27,-0.3 -0.917 38.0-106.9-116.0 141.6 152.2 74.3 36.4 34 115 A W B -F 58 0C 21 52,-2.6 2,-0.5 -2,-0.4 24,-0.3 -0.102 24.3-120.9 -62.9 161.8 152.0 70.6 37.3 35 116 A V + 0 0 0 22,-2.3 20,-1.4 324,-0.1 22,-0.3 -0.932 50.2 159.7-103.8 125.4 149.5 68.2 35.7 36 117 A T + 0 0 2 -2,-0.5 2,-0.2 18,-0.2 18,-0.2 -0.608 27.1 170.9-135.6-166.6 147.2 66.8 38.3 37 118 A R + 0 0 19 -2,-0.2 16,-2.6 322,-0.1 323,-0.1 -0.860 60.8 56.3 168.0 167.2 144.0 65.0 39.5 38 119 A E S S+ 0 0 4 -2,-0.2 61,-0.1 14,-0.2 16,-0.1 0.927 73.9 174.0 57.6 46.1 142.5 63.4 42.6 39 120 A P + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.255 8.8 162.5 -78.9 173.3 143.0 66.6 44.5 40 121 A Y E -G 51 0D 1 11,-2.5 11,-3.7 107,-0.1 2,-0.4 -0.953 28.4-123.5-175.0 171.9 141.8 67.3 48.0 41 122 A V E +G 50 0D 0 -2,-0.3 2,-0.4 9,-0.2 107,-0.2 -0.957 19.7 178.2-142.2 120.5 142.3 69.6 50.9 42 123 A S E -G 49 0D 0 7,-1.1 7,-1.5 -2,-0.4 2,-0.4 -0.917 16.2-150.0-116.6 149.6 143.2 68.9 54.5 43 124 A b E -G 48 0D 9 -2,-0.4 5,-0.3 287,-0.3 60,-0.3 -0.947 2.2-153.8-125.3 129.5 143.8 71.5 57.1 44 125 A D - 0 0 20 3,-2.4 64,-0.0 -2,-0.4 60,-0.0 -0.248 48.4 -80.8 -89.7-172.5 146.1 71.6 60.2 45 126 A P S S+ 0 0 73 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.507 127.2 28.5 -68.9 3.0 145.5 73.7 63.3 46 127 A D S S+ 0 0 149 1,-0.5 2,-0.3 0, 0.0 -3,-0.0 0.664 126.7 0.6-126.0 -41.1 146.9 76.8 61.7 47 128 A K - 0 0 84 2,-0.0 -3,-2.4 34,-0.0 -1,-0.5 -0.986 62.1-119.6-152.5 157.3 146.4 76.6 57.9 48 129 A b E -G 43 0D 14 -2,-0.3 34,-1.2 -5,-0.3 2,-0.3 -0.393 23.2-156.5 -89.8 172.1 144.9 74.5 55.2 49 130 A Y E -GH 42 81D 43 -7,-1.5 -7,-1.1 32,-0.3 2,-0.5 -0.985 13.4-130.9-149.8 142.7 146.8 72.9 52.3 50 131 A Q E -GH 41 80D 0 30,-2.0 30,-0.8 -2,-0.3 2,-0.3 -0.870 26.3-167.9-100.6 127.7 145.6 71.7 48.8 51 132 A F E +GH 40 79D 1 -11,-3.7 -11,-2.5 -2,-0.5 2,-0.3 -0.769 10.9 166.9-109.8 159.3 146.8 68.3 47.8 52 133 A A E - H 0 78D 0 26,-1.0 26,-2.3 -13,-0.3 2,-0.8 -0.955 39.7-109.2-160.5 166.7 146.7 66.6 44.5 53 134 A L E - H 0 77D 0 -16,-2.6 24,-0.2 -2,-0.3 -2,-0.0 -0.799 39.2-154.1-108.3 89.4 148.2 63.6 42.7 54 135 A G - 0 0 0 22,-1.4 22,-0.3 -2,-0.8 -18,-0.2 0.007 14.1-137.2 -57.4 167.1 150.7 64.8 40.1 55 136 A Q - 0 0 16 -20,-1.4 20,-0.2 2,-0.5 -1,-0.1 -0.044 50.8 -97.2-116.2 28.8 151.6 62.9 37.0 56 137 A G S S+ 0 0 40 1,-0.2 2,-0.3 18,-0.2 19,-0.1 0.850 97.5 68.1 60.6 34.8 155.3 63.5 37.1 57 138 A T S S- 0 0 9 -22,-0.3 -22,-2.3 7,-0.1 -2,-0.5 -0.993 75.5-112.0-171.8 165.8 155.1 66.4 34.7 58 139 A T B -F 34 0C 18 -2,-0.3 6,-0.3 -24,-0.3 -24,-0.3 -0.655 37.1-112.1-102.9 163.3 153.9 69.9 33.9 59 140 A L S S+ 0 0 1 -26,-2.3 2,-1.9 1,-0.2 5,-0.2 0.938 111.8 54.4 -62.4 -52.1 151.1 70.8 31.4 60 141 A N S S+ 0 0 89 -27,-0.3 2,-0.3 -29,-0.2 -1,-0.2 -0.628 91.8 98.6 -85.9 81.0 153.3 72.5 28.8 61 142 A N S > S- 0 0 53 -2,-1.9 3,-1.5 -3,-0.2 4,-0.3 -0.934 83.1-119.6-161.5 141.0 155.6 69.5 28.5 62 143 A R G > S+ 0 0 224 -2,-0.3 3,-0.9 1,-0.3 -3,-0.0 0.745 109.5 68.1 -61.6 -18.3 155.6 66.8 25.9 63 144 A H G 3 S+ 0 0 136 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.710 78.3 75.0 -74.3 -21.2 155.1 64.3 28.8 64 145 A S G < + 0 0 0 -3,-1.5 3,-0.4 -6,-0.3 -1,-0.2 0.766 70.0 119.4 -62.3 -21.6 151.6 65.5 29.6 65 146 A N S < S+ 0 0 82 -3,-0.9 292,-0.2 -4,-0.3 323,-0.0 -0.193 84.5 0.2 -50.1 124.4 150.5 63.6 26.4 66 147 A D S S+ 0 0 76 290,-1.9 -1,-0.2 1,-0.1 3,-0.2 0.988 77.7 155.0 57.7 69.0 148.1 60.9 27.3 67 148 A T + 0 0 11 289,-0.7 -1,-0.1 -3,-0.4 291,-0.1 -0.107 38.9 102.2-115.1 33.8 147.8 61.4 31.1 68 149 A V + 0 0 33 289,-0.0 -1,-0.1 282,-0.0 2,-0.1 0.739 51.5 109.2 -84.9 -25.0 144.4 60.0 31.7 69 150 A H - 0 0 23 -3,-0.2 3,-0.0 1,-0.1 459,-0.0 -0.349 60.6-154.5 -55.5 121.7 145.9 56.8 33.0 70 151 A D S S+ 0 0 56 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 0.924 71.5 54.0 -67.7 -52.2 145.3 56.8 36.7 71 152 A R + 0 0 62 2,-0.0 -1,-0.1 3,-0.0 46,-0.1 -0.809 63.6 151.7 -99.0 122.7 148.1 54.6 38.1 72 153 A T > - 0 0 13 -2,-0.6 3,-1.9 481,-0.1 24,-0.1 -0.998 51.3-127.4-146.1 143.8 151.7 55.4 37.3 73 154 A P T 3 S+ 0 0 68 0, 0.0 -17,-0.0 0, 0.0 43,-0.0 0.546 111.4 57.8 -67.5 -3.3 155.2 55.0 38.9 74 155 A Y T 3 S+ 0 0 144 -19,-0.1 2,-0.4 21,-0.1 -18,-0.2 0.372 78.5 106.3-107.1 1.9 155.7 58.7 38.4 75 156 A R < + 0 0 1 -3,-1.9 21,-1.5 -20,-0.2 2,-0.3 -0.687 45.2 171.5 -85.8 137.2 152.6 60.0 40.3 76 157 A T E - I 0 95D 16 -2,-0.4 -22,-1.4 -22,-0.3 2,-0.5 -0.929 37.2 -94.2-139.3 162.6 153.4 61.6 43.7 77 158 A L E -H 53 0D 0 17,-2.6 16,-2.4 -2,-0.3 17,-0.5 -0.699 35.9-156.6 -86.4 124.3 151.6 63.6 46.3 78 159 A L E -HI 52 92D 0 -26,-2.3 -26,-1.0 -2,-0.5 2,-0.4 -0.797 8.3-169.1-100.0 138.1 151.9 67.3 46.0 79 160 A M E +HI 51 91D 18 12,-1.4 12,-0.8 -2,-0.4 2,-0.3 -0.988 15.3 151.0-131.8 138.0 151.4 69.7 49.0 80 161 A N E -H 50 0D 16 -30,-0.8 -30,-2.0 -2,-0.4 2,-0.1 -0.982 52.1 -87.5-157.8 153.0 151.0 73.5 49.2 81 162 A E E > -H 49 0D 103 -2,-0.3 3,-2.1 -32,-0.3 -32,-0.3 -0.465 67.1 -87.2 -63.5 135.4 149.3 76.1 51.4 82 163 A L T 3 S+ 0 0 34 -34,-1.2 -1,-0.1 1,-0.2 -34,-0.1 -0.147 116.4 32.7 -46.9 130.1 145.8 76.5 50.2 83 164 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.185 91.0 103.2 107.5 -17.4 145.7 79.1 47.4 84 165 A V < - 0 0 43 -3,-2.1 -1,-0.2 -34,-0.0 -34,-0.2 -0.885 69.1-130.2-105.6 114.9 149.1 78.5 45.9 85 166 A P - 0 0 27 0, 0.0 2,-1.7 0, 0.0 -4,-0.1 -0.103 34.1 -91.9 -57.2 155.2 149.1 76.5 42.6 86 167 A F + 0 0 4 -52,-0.1 -52,-2.6 -6,-0.1 2,-0.1 -0.543 63.0 165.6 -73.1 90.4 151.3 73.5 42.2 87 168 A H B > -E 33 0B 75 -2,-1.7 3,-2.2 -54,-0.2 -54,-0.2 -0.375 56.7 -81.3 -95.1-178.4 154.3 75.3 40.6 88 169 A L T 3 S+ 0 0 116 -56,-0.6 -55,-0.1 1,-0.3 -2,-0.1 0.620 126.9 63.4 -62.9 -12.5 157.8 73.8 40.2 89 170 A G T 3 S+ 0 0 54 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.475 76.1 122.6 -90.1 -0.2 158.7 74.6 43.8 90 171 A T < - 0 0 10 -3,-2.2 2,-0.5 1,-0.1 -10,-0.1 -0.395 64.3-123.7 -65.9 134.4 155.9 72.3 45.1 91 172 A K E -I 79 0D 145 -12,-0.8 -12,-1.4 -2,-0.1 2,-1.0 -0.679 10.2-141.6 -84.3 124.6 157.2 69.5 47.4 92 173 A Q E -I 78 0D 105 -2,-0.5 -14,-0.2 -14,-0.2 3,-0.1 -0.765 16.6-170.4 -87.9 102.2 156.4 66.0 46.5 93 174 A V E - 0 0 44 -16,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.883 59.3 -19.1 -61.1 -44.6 155.6 64.4 49.8 94 175 A c E - 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