==== 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 4GZP . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.ZHU,I.A.WILSON . 388 1 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 8 2.1 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 . 33 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 1 3 3 6 3 1 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 82 A A 0 0 118 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 133.6 43.1 -2.6 45.2 2 83 A E - 0 0 164 103,-0.2 2,-0.1 1,-0.0 152,-0.1 -0.815 360.0 -96.4-113.3 155.7 39.5 -3.0 46.2 3 84 A Y - 0 0 50 -2,-0.3 102,-0.3 150,-0.1 2,-0.3 -0.402 43.1-111.0 -65.2 147.2 36.5 -4.2 44.2 4 85 A R + 0 0 18 100,-3.0 149,-1.7 1,-0.1 150,-0.6 -0.602 37.1 171.2 -78.6 142.0 34.4 -1.5 42.6 5 86 A N - 0 0 55 147,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.541 31.2-143.4-119.7 -21.9 30.9 -1.0 44.0 6 87 A W + 0 0 8 1,-0.2 2,-1.7 196,-0.1 197,-0.5 0.821 40.5 159.2 54.5 34.6 29.8 2.1 42.2 7 88 A S + 0 0 68 195,-0.1 -1,-0.2 197,-0.1 195,-0.0 -0.315 38.1 98.9 -86.1 54.5 28.0 3.2 45.4 8 89 A K S S- 0 0 70 -2,-1.7 195,-0.2 -3,-0.1 328,-0.2 -0.949 80.8 -96.4-134.8 152.8 28.0 6.8 44.4 9 90 A P - 0 0 93 0, 0.0 328,-2.2 0, 0.0 2,-0.2 -0.285 45.7 -96.2 -69.5 158.6 25.2 8.9 42.8 10 91 A Q B -a 337 0A 47 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.538 47.5-103.9 -71.6 136.6 25.0 9.4 39.1 11 92 A a - 0 0 17 326,-2.3 2,-0.1 -2,-0.2 -1,-0.1 -0.252 35.4 -99.4 -58.8 143.5 26.5 12.8 37.9 12 93 A D - 0 0 130 355,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.453 45.0-160.5 -53.6 130.8 24.4 15.7 36.9 13 94 A I + 0 0 11 -2,-0.1 356,-0.2 356,-0.1 3,-0.1 -0.988 30.6 167.8-125.9 126.1 24.3 15.6 33.2 14 95 A T S S- 0 0 54 354,-2.8 2,-0.3 -2,-0.5 355,-0.1 0.295 73.9 -59.6-110.2 5.6 23.3 18.5 31.0 15 96 A G E S-B 368 0A 0 353,-0.5 353,-2.1 281,-0.1 -1,-0.5 -0.936 71.3 -57.1 139.6-166.6 24.6 16.8 27.8 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.909 30.6-155.1-124.9 141.2 27.8 15.4 26.5 17 98 A A E -B 366 0A 30 349,-3.2 349,-3.0 -2,-0.4 2,-0.2 -0.784 37.3 -94.8-106.6 151.2 31.4 16.7 25.9 18 99 A P E +B 365 0A 81 0, 0.0 347,-0.2 0, 0.0 3,-0.1 -0.476 47.3 163.8 -66.4 137.7 33.9 15.3 23.3 19 100 A F E - 0 0 106 345,-2.8 2,-0.3 1,-0.4 346,-0.2 0.719 52.7 -5.0-124.6 -44.4 36.3 12.7 24.9 20 101 A S E +B 364 0A 22 344,-2.0 344,-2.9 63,-0.0 -1,-0.4 -0.990 42.5 177.0-158.0 155.7 38.1 10.6 22.2 21 102 A K E -B 363 0A 55 -2,-0.3 342,-0.2 342,-0.2 340,-0.0 -0.837 9.3-166.6-164.6 125.6 38.4 9.8 18.5 22 103 A D - 0 0 8 340,-1.4 5,-0.1 -2,-0.2 341,-0.1 0.612 18.8-147.3 -99.9 -10.3 40.8 7.4 16.8 23 104 A N > + 0 0 54 339,-0.5 4,-2.6 1,-0.1 5,-0.2 0.826 35.8 164.8 50.3 33.0 40.6 8.3 13.0 24 105 A S H > + 0 0 1 1,-0.2 4,-1.6 2,-0.2 337,-0.1 0.852 67.2 43.5 -50.6 -46.6 41.3 4.6 12.5 25 106 A I H 4 S+ 0 0 0 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.874 113.3 51.9 -74.4 -35.8 40.2 4.4 8.8 26 107 A R H >4 S+ 0 0 138 353,-0.3 3,-1.1 1,-0.2 4,-0.3 0.903 111.6 47.1 -62.4 -43.8 42.0 7.7 7.9 27 108 A L H >< S+ 0 0 84 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.861 101.7 67.1 -66.5 -32.5 45.1 6.4 9.4 28 109 A S T 3< S+ 0 0 0 -4,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.440 85.5 69.2 -74.0 0.9 44.7 3.0 7.6 29 110 A A T < S+ 0 0 52 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.601 119.1 20.1 -88.8 -15.0 45.3 4.7 4.2 30 111 A G S < S+ 0 0 76 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 -0.328 125.2 45.2-147.5 57.7 48.9 5.2 5.1 31 112 A G S S- 0 0 31 -3,-0.4 2,-1.1 2,-0.1 29,-0.4 -0.944 87.1 -88.5 176.8 163.0 49.5 2.8 8.0 32 113 A D + 0 0 102 -2,-0.3 56,-0.4 27,-0.1 2,-0.4 -0.774 58.1 160.4 -93.4 95.8 49.1 -0.8 9.2 33 114 A I - 0 0 10 -2,-1.1 26,-3.1 -5,-0.2 27,-0.3 -0.939 38.1-110.7-121.5 139.0 45.7 -0.6 11.0 34 115 A W E -E 58 0B 18 52,-2.7 2,-0.5 -2,-0.4 24,-0.3 -0.347 22.4-123.2 -63.9 142.4 43.4 -3.5 11.9 35 116 A V E + 0 0 0 22,-2.0 20,-1.7 324,-0.1 22,-0.4 -0.770 48.9 164.2 -76.7 127.4 40.1 -4.1 10.2 36 117 A T E +E 54 0B 2 -2,-0.5 2,-0.3 18,-0.2 18,-0.2 -0.849 24.9 178.6-135.0 171.7 37.5 -4.1 13.1 37 118 A R E +E 53 0B 30 16,-1.2 16,-2.8 -2,-0.3 323,-0.1 -0.913 63.0 46.1-154.7-178.9 33.8 -3.9 13.9 38 119 A E E S+ 0 0 8 -2,-0.3 61,-0.1 14,-0.2 -1,-0.1 0.910 75.0 179.4 51.3 51.9 31.7 -4.0 17.2 39 120 A P E + 0 0 0 0, 0.0 13,-0.3 0, 0.0 2,-0.3 -0.213 6.7 167.4 -78.3 172.9 34.0 -1.6 19.0 40 121 A Y E -E 51 0B 0 11,-2.8 11,-3.6 107,-0.1 2,-0.4 -0.966 26.0-122.9-175.9 167.7 33.5 -0.5 22.6 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.962 25.8 162.0-127.7 141.8 35.0 1.3 25.6 42 123 A S E -E 49 0B 0 7,-1.9 7,-3.0 -2,-0.4 2,-0.4 -0.954 20.8-146.0-154.7 158.1 35.6 0.2 29.2 43 124 A b E -E 48 0B 4 -2,-0.3 60,-0.3 287,-0.3 5,-0.3 -0.980 8.1-139.8-139.2 135.2 37.9 1.6 31.9 44 125 A D - 0 0 14 3,-2.2 62,-0.0 -2,-0.4 3,-0.0 -0.307 56.3 -83.2 -78.4 175.6 40.0 0.3 34.8 45 126 A P S S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.760 129.7 36.7 -57.1 -20.4 40.0 2.5 37.9 46 127 A D S S- 0 0 143 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.832 122.4 -2.4 -95.1 -38.3 42.7 4.6 36.3 47 128 A K - 0 0 79 -3,-0.0 -3,-2.2 34,-0.0 -1,-0.2 -0.973 65.0 -96.2-163.4 162.4 42.1 4.9 32.7 48 129 A b E -E 43 0B 19 -2,-0.3 34,-2.4 -5,-0.3 2,-0.3 -0.582 24.8-162.6 -99.1 150.7 40.1 4.0 29.6 49 130 A Y E -EF 42 81B 34 -7,-3.0 -7,-1.9 32,-0.3 2,-0.5 -0.962 12.0-140.0-127.5 143.3 40.5 1.3 27.0 50 131 A Q E -EF 41 80B 0 30,-2.0 30,-2.1 -2,-0.3 2,-0.3 -0.910 21.8-174.3-104.9 129.1 39.1 0.8 23.5 51 132 A F E +EF 40 79B 0 -11,-3.6 -11,-2.8 -2,-0.5 2,-0.3 -0.831 9.2 162.2-112.2 157.7 38.1 -2.7 22.4 52 133 A A E - F 0 78B 0 26,-1.0 26,-3.5 -2,-0.3 2,-0.7 -0.950 42.1-102.3-161.7 165.3 36.9 -4.0 19.1 53 134 A L E -EF 37 77B 0 -16,-2.8 -16,-1.2 -2,-0.3 24,-0.2 -0.876 39.4-146.2 -96.3 116.6 36.5 -7.3 17.2 54 135 A G E -E 36 0B 0 22,-3.5 -18,-0.2 -2,-0.7 22,-0.2 -0.326 14.5-140.4 -75.1 161.6 39.3 -7.7 14.7 55 136 A Q E - 0 0 13 -20,-1.7 20,-0.2 2,-0.4 -19,-0.1 -0.081 49.8-108.3-105.4 29.6 38.9 -9.5 11.4 56 137 A G E S+ 0 0 35 -21,-0.2 2,-0.3 18,-0.2 19,-0.1 0.766 93.2 83.1 48.0 30.1 42.4 -11.0 11.9 57 138 A T E S- 0 0 6 -22,-0.4 -22,-2.0 7,-0.1 -2,-0.4 -0.950 75.9-119.8-149.3 163.6 43.7 -8.7 9.1 58 139 A T E -E 34 0B 14 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.3 -0.651 34.2-112.8 -98.6 166.7 44.9 -5.2 8.5 59 140 A L S S+ 0 0 3 -26,-3.1 2,-2.0 1,-0.3 5,-0.2 0.967 112.2 53.2 -69.7 -52.3 43.1 -2.9 6.2 60 141 A N S S+ 0 0 97 -29,-0.4 2,-0.3 -27,-0.3 -1,-0.3 -0.532 94.9 99.4 -82.4 75.9 45.8 -2.6 3.5 61 142 A N S > S- 0 0 50 -2,-2.0 3,-2.1 -3,-0.3 4,-0.2 -0.966 83.0-119.6-165.2 133.3 46.0 -6.4 3.2 62 143 A V G > S+ 0 0 126 -2,-0.3 3,-1.5 1,-0.3 -1,-0.0 0.811 110.1 67.1 -52.8 -31.3 44.6 -8.9 0.8 63 144 A H G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -7,-0.1 -4,-0.1 0.486 79.8 78.8 -74.6 -2.8 42.7 -10.6 3.7 64 145 A S G X + 0 0 11 -3,-2.1 3,-1.2 -5,-0.2 294,-0.4 0.586 66.6 109.2 -79.5 -11.9 40.5 -7.5 4.2 65 146 A N T < S+ 0 0 95 -3,-1.5 292,-0.2 1,-0.3 291,-0.0 -0.480 88.4 10.0 -62.1 131.0 38.3 -8.6 1.2 66 147 A N T > S+ 0 0 66 290,-1.4 3,-1.2 -2,-0.2 -1,-0.3 0.785 75.7 146.4 69.5 31.6 34.9 -9.8 2.4 67 148 A T T < + 0 0 8 -3,-1.2 -1,-0.1 289,-0.4 290,-0.1 0.299 49.6 94.4 -81.1 13.1 35.4 -8.6 6.1 68 149 A V T 3 + 0 0 55 288,-0.3 -1,-0.2 282,-0.0 289,-0.1 0.709 61.2 101.9 -71.9 -24.4 31.6 -8.0 6.0 69 150 A R < - 0 0 151 -3,-1.2 3,-0.1 1,-0.1 289,-0.1 -0.282 65.5-147.9 -64.4 149.8 31.1 -11.4 7.5 70 151 A D S S+ 0 0 76 1,-0.2 2,-0.5 5,-0.0 -1,-0.1 0.846 76.5 37.8 -93.1 -40.0 30.3 -11.6 11.2 71 152 A R + 0 0 89 43,-0.0 -1,-0.2 -16,-0.0 46,-0.1 -0.952 61.4 146.1-126.6 108.7 31.8 -14.8 12.5 72 153 A T > - 0 0 24 -2,-0.5 3,-1.1 -3,-0.1 43,-0.1 -0.898 56.1-115.0-125.3 160.2 35.2 -16.2 11.2 73 154 A P T 3 S+ 0 0 93 0, 0.0 -17,-0.0 0, 0.0 -18,-0.0 0.477 111.4 66.2 -72.5 1.2 37.8 -18.2 13.3 74 155 A Y T 3 S+ 0 0 162 -19,-0.1 2,-0.3 21,-0.1 -18,-0.2 0.512 73.0 108.6-101.7 -8.6 40.2 -15.3 12.8 75 156 A R < + 0 0 1 -3,-1.1 21,-2.0 -20,-0.2 2,-0.3 -0.542 43.5 174.4 -73.9 132.9 38.3 -12.7 14.8 76 157 A T E - G 0 95B 16 19,-0.3 -22,-3.5 -2,-0.3 2,-0.6 -0.932 37.9-102.5-132.3 155.5 39.9 -11.7 18.1 77 158 A L E -FG 53 94B 0 17,-2.0 16,-2.7 -2,-0.3 17,-0.6 -0.745 38.9-151.0 -77.6 120.6 39.1 -9.1 20.7 78 159 A L E -FG 52 92B 0 -26,-3.5 -26,-1.0 -2,-0.6 2,-0.4 -0.629 12.4-170.3 -90.7 149.1 41.4 -6.1 20.4 79 160 A M E +FG 51 91B 22 12,-1.5 12,-0.8 -2,-0.2 2,-0.3 -0.947 15.8 148.8-147.1 121.7 42.4 -4.0 23.3 80 161 A N E -F 50 0B 17 -30,-2.1 -30,-2.0 -2,-0.4 2,-0.1 -0.901 53.6 -85.9-131.8 168.3 44.3 -0.7 23.5 81 162 A E E > -F 49 0B 102 -2,-0.3 3,-2.2 -32,-0.3 -32,-0.3 -0.493 68.5 -82.1 -66.6 147.5 44.3 2.3 25.7 82 163 A L T 3 S+ 0 0 34 -34,-2.4 -1,-0.1 1,-0.3 -34,-0.1 -0.379 118.2 22.9 -62.6 124.9 41.7 4.8 24.6 83 164 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.3 -2,-0.1 -34,-0.1 0.280 90.6 112.1 101.7 -8.4 43.0 6.9 21.7 84 165 A V < - 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