==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 06-SEP-12 4GZX . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.ZHU,I.A.WILSON . 1552 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 913 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 541 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 34 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 135 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 3 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 . 5 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 . 4 1 5 10 13 24 11 4 5 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 15 9 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 82 A A 0 0 119 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 65.1 42.2 66.5 31.0 2 83 A E - 0 0 172 103,-0.2 2,-0.2 1,-0.0 152,-0.1 -0.757 360.0 -98.1-102.4 160.0 43.5 70.1 31.2 3 84 A Y - 0 0 55 -2,-0.3 2,-0.3 1,-0.1 102,-0.2 -0.522 37.3-114.8 -72.6 145.2 41.3 73.2 32.1 4 85 A R + 0 0 18 100,-2.1 149,-1.0 -2,-0.2 150,-0.7 -0.609 36.1 168.8 -76.6 137.3 40.0 75.3 29.2 5 86 A N - 0 0 54 -2,-0.3 -1,-0.1 147,-0.3 3,-0.1 0.515 35.4-138.6-122.8 -10.6 41.3 78.9 29.1 6 87 A W + 0 0 9 1,-0.2 2,-2.3 197,-0.1 197,-0.5 0.677 39.9 162.9 63.5 23.1 40.0 80.0 25.6 7 88 A S + 0 0 58 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.451 39.4 95.4 -77.8 71.3 43.3 81.8 24.9 8 89 A K S S- 0 0 78 -2,-2.3 195,-0.3 -3,-0.1 328,-0.1 -0.962 79.4 -89.0-161.3 147.2 42.8 82.0 21.2 9 90 A P - 0 0 91 0, 0.0 328,-2.8 0, 0.0 2,-0.2 -0.153 44.5 -98.6 -65.1 154.8 41.4 84.6 18.8 10 91 A Q B -a 337 0A 48 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.573 49.6-107.4 -71.8 135.8 37.8 84.9 17.8 11 92 A a - 0 0 21 326,-2.7 2,-0.1 -2,-0.2 -1,-0.1 -0.285 37.2 -92.3 -64.7 149.9 37.3 83.2 14.4 12 93 A D - 0 0 133 355,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.431 49.3-157.2 -55.4 129.7 36.7 85.3 11.2 13 94 A I + 0 0 9 -2,-0.1 356,-0.2 1,-0.1 3,-0.1 -0.957 35.2 161.3-126.0 121.5 32.9 85.7 11.0 14 95 A T S S- 0 0 46 354,-2.6 2,-0.3 -2,-0.5 355,-0.1 0.430 72.2 -72.4-107.2 -7.0 31.0 86.4 7.8 15 96 A G E -B 368 0A 0 353,-0.8 353,-2.7 281,-0.1 -1,-0.5 -0.946 67.7 -41.1 142.3-159.4 27.7 85.2 9.3 16 97 A F E -B 367 0A 1 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.844 30.6-162.3-120.8 137.4 26.1 81.9 10.3 17 98 A A E -B 366 0A 0 349,-2.7 349,-2.7 -2,-0.4 1280,-0.1 -0.889 40.5 -95.5-109.4 140.3 25.7 78.5 8.9 18 99 A P E +B 365 0A 2 0, 0.0 347,-0.2 0, 0.0 1261,-0.1 -0.262 45.2 167.6 -53.9 137.9 23.0 76.0 10.0 19 100 A F E - 0 0 10 345,-2.7 2,-0.3 1,-0.3 346,-0.2 0.704 54.0 -10.2-123.9 -42.1 24.2 73.6 12.7 20 101 A S E -B 364 0A 2 344,-2.1 344,-3.0 1241,-0.2 -1,-0.3 -0.979 40.6-169.2-166.9 147.7 21.2 71.8 14.3 21 102 A K E -B 363 0A 0 -2,-0.3 342,-0.2 342,-0.2 1240,-0.1 -0.990 7.2-163.4-141.1 137.6 17.5 71.6 14.6 22 103 A D - 0 0 2 340,-2.1 341,-0.1 -2,-0.3 -1,-0.1 0.698 12.3-155.6-102.0 -22.0 15.6 69.4 17.1 23 104 A N > + 0 0 0 339,-0.4 4,-1.5 1,-0.1 3,-0.1 0.762 33.2 158.5 57.6 32.4 12.1 69.3 15.7 24 105 A S H > + 0 0 1 1,-0.2 4,-1.4 2,-0.2 337,-0.1 0.780 62.3 44.1 -66.8 -40.8 10.7 68.6 19.1 25 106 A I H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.855 110.6 56.0 -73.5 -37.0 7.0 69.6 18.9 26 107 A R H >4 S+ 0 0 24 353,-0.2 3,-0.6 1,-0.2 1204,-0.3 0.869 109.4 47.8 -63.7 -36.4 6.5 67.9 15.6 27 108 A L H >< S+ 0 0 0 -4,-1.5 3,-2.4 1,-0.2 -1,-0.2 0.853 100.2 63.6 -73.4 -35.9 7.7 64.7 17.1 28 109 A S T 3< S+ 0 0 2 -4,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.538 85.0 77.1 -70.6 -2.8 5.5 64.9 20.2 29 110 A A T < S+ 0 0 19 -3,-0.6 1200,-0.4 -4,-0.4 -1,-0.3 0.595 121.1 8.2 -74.5 -11.2 2.5 64.7 17.9 30 111 A G S < S+ 0 0 10 -3,-2.4 2,-0.3 1198,-0.2 -1,-0.2 -0.210 127.5 53.3-164.4 56.0 3.5 61.0 17.8 31 112 A G S S- 0 0 7 -3,-0.5 2,-1.0 1194,-0.1 29,-0.4 -0.918 86.8 -92.8 175.0 156.6 6.1 60.4 20.4 32 113 A D + 0 0 38 -2,-0.3 56,-0.5 27,-0.1 2,-0.4 -0.753 55.6 165.0 -96.7 98.1 6.8 60.9 24.1 33 114 A I - 0 0 1 -2,-1.0 26,-2.8 54,-0.2 54,-0.2 -0.911 35.6-109.2-121.5 139.7 8.6 64.2 24.3 34 115 A W E -E 58 0B 1 52,-2.7 2,-0.4 -2,-0.4 24,-0.3 -0.333 24.4-123.1 -63.5 139.4 9.3 66.6 27.3 35 116 A V E + 0 0 0 22,-2.7 20,-1.1 324,-0.1 22,-0.3 -0.739 49.0 166.7 -77.9 132.6 7.6 69.9 27.7 36 117 A T E +E 54 0B 1 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.911 23.5 175.0-141.7 161.6 10.4 72.4 27.9 37 118 A R E +E 53 0B 41 16,-1.0 16,-3.2 -2,-0.3 323,-0.1 -0.936 61.4 44.1-155.5-178.7 11.3 76.0 27.9 38 119 A E E S- 0 0 17 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.921 76.4-178.4 50.1 54.5 14.4 78.2 28.4 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.301 9.6 168.9 -82.1 168.8 16.6 75.9 26.3 40 121 A Y E -E 51 0B 0 11,-2.9 11,-4.2 107,-0.1 2,-0.4 -0.970 25.2-128.1-170.2 165.2 20.3 76.3 25.6 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.3 2,-0.3 -0.959 24.2 166.5-124.1 136.4 23.4 74.6 24.2 42 123 A S E -E 49 0B 0 7,-1.8 7,-3.2 -2,-0.4 2,-0.4 -0.961 18.5-146.5-141.4 158.4 26.9 74.2 25.8 43 124 A b E -E 48 0B 4 287,-0.3 60,-0.4 -2,-0.3 5,-0.3 -0.946 7.0-144.9-131.1 146.6 29.8 71.9 24.7 44 125 A D - 0 0 17 3,-2.2 62,-0.0 -2,-0.4 64,-0.0 -0.331 56.6 -79.5 -88.8-179.1 32.6 69.9 26.3 45 126 A P S S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 61,-0.0 0.804 129.2 34.3 -56.0 -26.2 35.9 69.7 24.5 46 127 A D S S- 0 0 101 1,-0.2 2,-0.3 1249,-0.0 -3,-0.0 0.907 122.8 -2.5 -93.1 -45.6 34.5 66.9 22.2 47 128 A K - 0 0 58 -5,-0.0 -3,-2.2 1249,-0.0 2,-0.3 -0.933 64.9-101.9-151.9 164.2 30.8 67.6 21.5 48 129 A b E -E 43 0B 7 -2,-0.3 34,-2.9 1247,-0.3 2,-0.3 -0.692 24.5-162.5-100.8 143.7 27.8 69.8 22.2 49 130 A Y E -EF 42 81B 33 -7,-3.2 -7,-1.8 -2,-0.3 2,-0.4 -0.861 12.0-137.0-118.5 156.0 24.8 69.1 24.5 50 131 A Q E -EF 41 80B 1 30,-2.5 30,-1.8 -2,-0.3 2,-0.3 -0.960 19.1-169.5-117.2 129.2 21.4 70.8 24.6 51 132 A F E +EF 40 79B 1 -11,-4.2 -11,-2.9 -2,-0.4 2,-0.3 -0.832 11.0 161.8-113.3 153.5 19.7 71.8 27.8 52 133 A A E - F 0 78B 0 26,-0.8 26,-3.0 -2,-0.3 2,-0.8 -0.973 41.4 -99.4-161.9 166.3 16.1 72.9 28.6 53 134 A L E -EF 37 77B 0 -16,-3.2 -16,-1.0 -2,-0.3 24,-0.2 -0.801 37.3-150.8 -97.8 111.0 13.8 73.3 31.5 54 135 A G E -E 36 0B 0 22,-3.1 -18,-0.2 -2,-0.8 42,-0.1 -0.170 14.3-140.8 -71.3 167.9 11.3 70.5 31.8 55 136 A Q E - 0 0 8 -20,-1.1 20,-0.2 2,-0.6 -19,-0.1 -0.069 53.6 -99.7-116.8 31.0 7.8 70.9 33.2 56 137 A G E S+ 0 0 0 18,-0.2 2,-0.3 -21,-0.2 19,-0.1 0.781 98.5 77.3 50.5 29.7 8.0 67.5 34.9 57 138 A T E S- 0 0 0 -22,-0.3 -22,-2.7 359,-0.1 -2,-0.6 -0.988 74.4-120.5-155.1 162.3 6.0 66.2 32.0 58 139 A T E -E 34 0B 0 -24,-0.3 -24,-0.3 -2,-0.3 3,-0.1 -0.568 37.8-111.4 -90.9 168.9 5.8 65.1 28.4 59 140 A L S S+ 0 0 3 -26,-2.8 2,-1.7 1,-0.2 5,-0.2 0.981 109.5 53.5 -72.9 -61.1 3.5 66.8 25.8 60 141 A N S S+ 0 0 84 -29,-0.4 2,-0.3 -32,-0.2 -1,-0.2 -0.617 94.2 97.2 -76.8 91.4 0.9 64.2 25.1 61 142 A N S > S- 0 0 7 -2,-1.7 3,-1.9 -3,-0.1 358,-0.2 -0.842 83.1-120.1 176.5 129.1 0.2 63.8 28.8 62 143 A V G > S+ 0 0 64 356,-0.4 3,-1.4 1,-0.3 713,-0.1 0.743 108.3 69.2 -64.4 -24.0 -2.6 65.4 31.0 63 144 A H G 3 S+ 0 0 12 352,-0.3 -1,-0.3 1,-0.2 -4,-0.1 0.514 80.7 79.2 -69.7 -3.6 0.0 67.1 33.2 64 145 A S G X + 0 0 9 -3,-1.9 3,-1.2 -5,-0.2 294,-0.4 0.630 65.3 108.2 -82.9 -14.7 0.9 69.3 30.2 65 146 A N T < S+ 0 0 77 -3,-1.4 292,-0.2 1,-0.2 291,-0.0 -0.473 85.4 14.8 -59.9 128.5 -2.1 71.6 30.8 66 147 A N T > S+ 0 0 89 290,-1.4 3,-1.5 -2,-0.2 -1,-0.2 0.637 73.3 144.0 87.2 19.1 -1.0 75.0 32.2 67 148 A T T < + 0 0 10 -3,-1.2 290,-0.1 1,-0.3 -2,-0.1 0.345 48.0 92.8 -81.3 9.9 2.7 74.8 31.4 68 149 A V T 3 + 0 0 61 288,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.702 65.7 99.3 -66.4 -21.4 2.8 78.5 30.6 69 150 A R < - 0 0 164 -3,-1.5 3,-0.1 1,-0.1 289,-0.1 -0.544 62.5-162.3 -68.0 127.1 3.8 78.7 34.3 70 151 A G + 0 0 28 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.622 69.4 53.2 -92.6 -15.7 7.5 79.1 34.6 71 152 A R + 0 0 99 -16,-0.0 -1,-0.2 43,-0.0 46,-0.1 -0.915 62.5 140.6-129.9 101.5 8.2 78.1 38.2 72 153 A T > - 0 0 25 -2,-0.5 3,-1.8 -3,-0.1 24,-0.2 -0.962 58.8-117.0-133.0 152.3 6.9 74.8 39.6 73 154 A P T 3 S+ 0 0 40 0, 0.0 -17,-0.1 0, 0.0 23,-0.0 0.585 112.1 64.1 -64.7 -8.3 8.5 72.3 41.9 74 155 A Y T 3 S+ 0 0 43 -19,-0.1 2,-0.5 21,-0.1 -18,-0.2 0.350 74.5 114.0 -96.1 5.5 8.4 69.7 39.0 75 156 A R < + 0 0 1 -3,-1.8 21,-3.0 -20,-0.2 2,-0.3 -0.665 41.5 176.4 -85.1 123.9 10.8 71.7 36.8 76 157 A T E - G 0 95B 0 -2,-0.5 -22,-3.1 19,-0.3 2,-0.4 -0.935 34.2-110.9-125.2 148.7 14.1 70.0 36.1 77 158 A L E -FG 53 94B 0 17,-2.1 16,-3.1 -2,-0.3 17,-0.7 -0.690 35.5-150.0 -74.7 125.8 17.1 70.8 33.9 78 159 A L E -FG 52 92B 0 -26,-3.0 -26,-0.8 -2,-0.4 2,-0.3 -0.716 12.3-170.4 -98.2 148.7 17.4 68.4 31.0 79 160 A M E +F 51 0B 26 12,-1.5 12,-0.5 -2,-0.3 2,-0.2 -0.696 17.1 150.5-147.7 93.3 20.7 67.4 29.3 80 161 A N E -F 50 0B 18 -30,-1.8 -30,-2.5 -2,-0.3 2,-0.1 -0.684 54.1 -89.8-104.0 167.5 21.0 65.4 26.0 81 162 A E E > -F 49 0B 66 -32,-0.3 3,-1.8 -2,-0.2 -32,-0.3 -0.458 66.7 -79.8 -67.4 150.9 23.6 65.4 23.3 82 163 A L T 3 S+ 0 0 16 -34,-2.9 -1,-0.1 1,-0.3 -34,-0.1 -0.307 117.7 17.2 -61.6 134.5 22.8 68.0 20.7 83 164 A G T 3 S+ 0 0 0 1,-0.3 1176,-1.7 1175,-0.1 -1,-0.3 0.236 95.0 110.2 85.1 -16.6 20.2 66.9 18.2 84 165 A V S < S- 0 0 16 -3,-1.8 -1,-0.3 1174,-0.3 -34,-0.2 -0.876 70.4-138.3 -81.3 117.1 19.1 64.1 20.4 85 166 A P - 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0 0 0 3,-1.9 -100,-2.1 -2,-0.4 50,-0.2 0.226 59.7 -88.0-102.0 8.9 35.5 73.8 32.4 105 186 A G S S+ 0 0 11 2,-0.3 -103,-0.2 -102,-0.2 3,-0.1 0.050 123.5 49.1 105.2 -24.8 37.4 71.2 30.5 106 187 A K S S- 0 0 98 1,-0.4 2,-0.3 -105,-0.1 -103,-0.1 0.735 119.5 -10.9-113.8 -42.8 37.4 68.5 33.1 107 188 A A S S- 0 0 8 -5,-0.0 -3,-1.9 20,-0.0 -1,-0.4 -0.942 72.6 -86.3-150.0 173.7 33.8 68.2 34.2 108 189 A W E -H 103 0C 32 -2,-0.3 19,-1.9 -5,-0.2 2,-0.5 -0.655 26.2-160.2 -81.8 135.0 30.4 69.9 34.1 109 190 A L E -HJ 102 126C 2 -7,-3.7 -7,-2.7 -2,-0.3 2,-0.4 -0.964 8.8-171.7-101.3 133.7 29.2 72.6 36.4 110 191 A H E -HJ 101 125C 17 15,-2.6 15,-2.9 -2,-0.5 2,-0.6 -0.995 11.4-156.8-118.3 134.4 25.4 73.1 36.6 111 192 A V E -HJ 100 124C 0 -11,-2.7 -11,-1.6 -2,-0.4 2,-0.4 -0.954 22.5-173.8-106.6 110.7 24.0 76.1 38.5 112 193 A c E -HJ 99 123C 0 11,-3.1 11,-4.4 -2,-0.6 2,-0.4 -0.919 11.2-170.9-121.8 131.5 20.5 75.0 39.5 113 194 A I E +HJ 98 122C 0 -15,-2.1 -16,-2.4 -2,-0.4 -15,-0.9 -0.978 21.3 137.3-130.6 121.9 17.8 77.2 41.2 114 195 A T E + J 0 121C 1 7,-2.2 7,-3.3 -2,-0.4 2,-0.2 -0.814 24.1 79.6-148.5-178.1 14.5 76.0 42.6 115 196 A G S S- 0 0 12 -2,-0.2 649,-0.3 5,-0.2 5,-0.2 -0.600 80.4 -10.4 108.1-173.7 12.3 76.6 45.7 116 197 A D > - 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