==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-SEP-12 4H53 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.J.VAVRICKA,Y.LIU,H.KIYOTA,N.SRIWILAIJAROEN,J.QI,K.TANAKA,Y . 1552 4 36 36 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45244.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 926 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 544 35.1 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 . 40 2.6 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 . 118 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 4 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 . 4 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 0 4 12 12 23 9 5 7 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 16 8 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 V 0 0 153 0, 0.0 2,-0.3 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 105.7 17.0 1.1 23.4 2 83 A E - 0 0 157 103,-0.2 2,-0.1 1,-0.1 152,-0.1 -0.729 360.0 -96.3-108.8 157.0 18.4 4.3 21.8 3 84 A Y - 0 0 53 -2,-0.3 102,-0.3 1,-0.1 2,-0.3 -0.420 41.2-111.2 -67.1 143.4 19.8 4.9 18.4 4 85 A R + 0 0 15 100,-2.6 149,-2.3 1,-0.1 150,-0.5 -0.568 34.6 173.2 -68.5 137.5 23.6 4.8 17.9 5 86 A N - 0 0 56 147,-0.3 -1,-0.1 -2,-0.3 198,-0.1 0.505 30.8-143.0-117.5 -14.5 25.2 8.1 17.2 6 87 A W + 0 0 9 1,-0.2 2,-1.4 196,-0.1 197,-0.5 0.794 42.2 159.2 55.6 30.6 28.9 7.0 17.4 7 88 A S + 0 0 67 195,-0.1 -1,-0.2 329,-0.1 145,-0.0 -0.271 32.5 95.2 -90.5 52.5 29.5 10.5 18.9 8 89 A K S S- 0 0 67 -2,-1.4 195,-0.2 -3,-0.1 328,-0.2 -0.920 82.2 -92.2-129.2 157.5 32.8 9.7 20.7 9 90 A P - 0 0 94 0, 0.0 328,-2.6 0, 0.0 2,-0.2 -0.285 49.5 -92.1 -65.7 157.4 36.3 10.4 19.4 10 91 A Q B -a 337 0A 41 326,-0.2 328,-0.2 1,-0.1 3,-0.1 -0.488 51.9-102.9 -64.1 136.6 38.2 7.7 17.5 11 92 A a - 0 0 14 326,-2.7 2,-0.2 -2,-0.2 -1,-0.1 -0.260 33.3-104.6 -58.5 146.0 40.3 5.6 19.9 12 93 A Q - 0 0 146 -3,-0.1 2,-0.4 355,-0.1 -1,-0.1 -0.515 43.6-161.7 -60.7 132.2 44.0 6.2 20.1 13 94 A I + 0 0 10 -2,-0.2 356,-0.3 356,-0.1 3,-0.1 -0.993 31.9 173.4-127.8 136.4 45.6 3.3 18.2 14 95 A T S S- 0 0 42 354,-3.1 2,-0.3 -2,-0.4 355,-0.2 0.372 75.6 -60.6-105.3 -3.3 49.2 2.1 18.4 15 96 A G E S-B 368 0A 0 353,-0.8 353,-2.3 356,-0.1 -1,-0.4 -0.975 70.9 -59.4 150.2-156.1 48.4 -0.9 16.2 16 97 A F E -B 367 0A 0 -2,-0.3 351,-0.2 351,-0.2 324,-0.1 -0.930 31.2-153.6-132.8 147.0 46.1 -3.9 16.3 17 98 A A E -B 366 0A 0 349,-3.0 349,-2.7 -2,-0.3 891,-0.1 -0.898 36.9 -91.4-119.7 148.9 45.6 -6.9 18.6 18 99 A P E +B 365 0A 3 0, 0.0 347,-0.2 0, 0.0 872,-0.1 -0.303 47.3 163.8 -59.8 138.6 44.2 -10.3 17.8 19 100 A F E - 0 0 12 345,-2.7 2,-0.3 1,-0.4 346,-0.2 0.698 53.4 -9.7-124.3 -45.9 40.4 -10.6 18.3 20 101 A S E -B 364 0A 2 344,-2.0 344,-2.9 852,-0.2 -1,-0.4 -0.995 41.9-176.9-158.4 157.1 38.9 -13.6 16.5 21 102 A K E -B 363 0A 1 -2,-0.3 342,-0.2 342,-0.2 851,-0.1 -0.942 9.5-162.9-156.1 137.3 39.6 -16.5 14.1 22 103 A D - 0 0 1 340,-1.7 341,-0.1 -2,-0.3 5,-0.1 0.682 16.1-149.0-105.1 -15.5 37.1 -19.1 12.9 23 104 A N > + 0 0 0 339,-0.5 4,-2.4 1,-0.1 5,-0.2 0.781 35.7 160.8 58.5 31.4 39.2 -21.9 11.4 24 105 A S H > + 0 0 0 1,-0.2 4,-1.8 2,-0.2 337,-0.1 0.840 66.0 45.2 -56.1 -44.1 36.4 -22.6 8.9 25 106 A I H > S+ 0 0 0 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.934 112.0 50.6 -74.5 -43.7 38.4 -24.6 6.4 26 107 A R H >4 S+ 0 0 19 353,-0.3 3,-1.1 1,-0.2 810,-0.3 0.928 113.7 47.2 -53.5 -46.4 40.3 -26.8 8.9 27 108 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.852 100.2 67.4 -64.6 -33.4 36.9 -27.6 10.5 28 109 A S H >< S+ 0 0 0 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.652 90.0 64.9 -62.2 -18.9 35.4 -28.3 7.0 29 110 A A T << S+ 0 0 17 -3,-1.1 811,-0.4 -4,-0.6 -1,-0.3 0.428 118.1 23.5 -85.0 -0.6 37.7 -31.4 6.7 30 111 A G T < S+ 0 0 7 -3,-2.2 2,-0.3 1,-0.2 -1,-0.2 -0.234 124.0 32.9-159.3 54.9 35.9 -33.0 9.7 31 112 A G S < S- 0 0 7 -3,-0.6 2,-0.9 2,-0.1 29,-0.3 -0.861 88.5 -82.9 165.0 162.2 32.5 -31.5 10.0 32 113 A D + 0 0 37 -2,-0.3 56,-0.5 27,-0.1 2,-0.4 -0.784 57.8 163.4 -92.9 104.4 29.6 -30.0 8.0 33 114 A I - 0 0 0 -2,-0.9 26,-2.3 -5,-0.2 27,-0.2 -0.970 38.0-105.9-129.5 134.7 30.6 -26.4 7.4 34 115 A W E -E 58 0B 0 52,-2.8 2,-0.4 -2,-0.4 24,-0.3 -0.255 25.3-124.0 -56.3 141.3 29.2 -23.9 4.8 35 116 A V E + 0 0 0 22,-2.8 20,-1.7 324,-0.1 22,-0.3 -0.769 48.6 164.6 -79.1 130.6 31.1 -22.9 1.7 36 117 A T E +E 54 0B 1 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.857 26.0 176.6-137.0 170.0 31.3 -19.1 1.8 37 118 A R E +E 53 0B 30 16,-1.3 16,-2.5 -2,-0.3 323,-0.1 -0.914 62.6 48.5-160.0 179.0 33.1 -16.0 0.5 38 119 A E E S+ 0 0 12 -2,-0.3 -1,-0.1 14,-0.2 61,-0.1 0.933 73.2 178.8 53.6 54.8 32.7 -12.2 1.0 39 120 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.365 7.4 168.7 -79.6 164.6 32.7 -12.4 4.8 40 121 A Y E -E 51 0B 0 11,-2.3 11,-3.0 107,-0.1 2,-0.4 -0.962 25.3-125.5-161.3 176.1 32.5 -9.4 7.2 41 122 A V E +E 50 0B 0 -2,-0.3 107,-0.5 9,-0.2 2,-0.3 -0.974 24.7 167.4-129.3 141.4 31.9 -8.5 10.8 42 123 A S E -E 49 0B 0 7,-2.0 7,-2.4 -2,-0.4 2,-0.4 -0.974 18.5-146.1-150.6 147.5 29.4 -6.1 12.4 43 124 A b E -E 48 0B 3 287,-0.3 60,-0.3 -2,-0.3 5,-0.3 -0.903 6.9-144.6-121.1 139.9 28.5 -5.7 16.1 44 125 A D - 0 0 29 3,-2.5 62,-0.0 -2,-0.4 5,-0.0 -0.336 56.5 -82.4 -76.8 176.5 25.3 -4.8 17.9 45 126 A P S S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.762 128.7 30.3 -58.2 -20.7 25.9 -2.6 21.0 46 127 A G S S+ 0 0 31 1,-0.3 2,-0.3 860,-0.0 -3,-0.0 0.786 123.5 14.6-104.4 -34.9 26.7 -5.7 23.1 47 128 A K - 0 0 88 860,-0.0 -3,-2.5 -5,-0.0 -1,-0.3 -0.978 64.6-115.9-149.7 155.3 28.3 -8.3 20.8 48 129 A b E -E 43 0B 10 -2,-0.3 34,-2.5 -5,-0.3 2,-0.4 -0.621 21.8-159.2 -96.0 152.6 29.8 -8.9 17.4 49 130 A Y E -EF 42 81B 43 -7,-2.4 -7,-2.0 32,-0.3 2,-0.4 -0.955 11.5-137.6-127.9 143.9 28.6 -11.1 14.6 50 131 A Q E -EF 41 80B 0 30,-2.4 30,-2.4 -2,-0.4 2,-0.3 -0.869 24.0-173.0-100.4 139.5 30.3 -12.7 11.6 51 132 A F E +EF 40 79B 1 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.3 -0.890 9.8 160.8-124.4 153.3 28.6 -12.6 8.3 52 133 A A E - F 0 78B 0 26,-1.3 26,-3.2 -2,-0.3 2,-0.8 -0.967 42.5-102.1-163.2 164.4 29.3 -14.2 4.9 53 134 A L E -EF 37 77B 0 -16,-2.5 -16,-1.3 -2,-0.3 24,-0.2 -0.821 39.8-147.5 -90.5 113.3 27.7 -15.2 1.6 54 135 A G E -E 36 0B 0 22,-3.2 -18,-0.2 -2,-0.8 22,-0.2 -0.289 11.5-139.7 -68.9 164.6 27.0 -18.9 1.6 55 136 A Q E - 0 0 4 -20,-1.7 20,-0.2 2,-0.5 19,-0.1 0.054 49.4-103.1-110.6 21.6 27.1 -20.9 -1.6 56 137 A G E S+ 0 0 0 -21,-0.2 2,-0.3 18,-0.2 19,-0.1 0.743 95.3 70.8 67.3 24.1 24.0 -22.9 -0.7 57 138 A T E S- 0 0 0 -22,-0.3 -22,-2.8 359,-0.1 -2,-0.5 -0.987 77.7-114.0-161.1 156.6 26.2 -25.9 0.2 58 139 A T E -E 34 0B 0 -2,-0.3 -24,-0.3 -24,-0.3 3,-0.2 -0.488 36.9-113.3 -85.5 170.9 28.6 -27.3 2.8 59 140 A L S S+ 0 0 0 -26,-2.3 2,-1.8 1,-0.2 5,-0.2 0.938 110.0 57.3 -75.3 -49.4 32.2 -28.0 1.7 60 141 A D S S+ 0 0 83 -29,-0.3 2,-0.3 -27,-0.2 -1,-0.2 -0.622 93.8 94.9 -82.8 80.8 32.2 -31.8 2.0 61 142 A N S > S- 0 0 10 -2,-1.8 3,-2.3 -3,-0.2 4,-0.2 -0.894 84.4-120.5-172.7 131.6 29.3 -32.0 -0.4 62 143 A K G > S+ 0 0 134 356,-0.4 3,-1.4 1,-0.3 713,-0.1 0.758 109.9 69.3 -58.6 -23.6 29.3 -32.6 -4.2 63 144 A H G 3 S+ 0 0 10 1,-0.2 -1,-0.3 352,-0.2 -4,-0.1 0.588 80.9 75.9 -70.8 -7.7 27.5 -29.2 -4.6 64 145 A S G X + 0 0 2 -3,-2.3 3,-1.3 -5,-0.2 294,-0.3 0.671 69.8 113.3 -75.5 -15.0 30.8 -27.5 -3.5 65 146 A N T < S+ 0 0 78 -3,-1.4 292,-0.2 1,-0.2 323,-0.0 -0.372 85.1 5.4 -60.1 129.9 32.1 -28.2 -7.0 66 147 A D T > S+ 0 0 85 290,-2.3 3,-1.0 1,-0.1 -1,-0.2 0.770 76.5 146.3 66.2 34.8 32.7 -24.9 -9.0 67 148 A T T < + 0 0 6 -3,-1.3 290,-0.1 289,-0.4 -1,-0.1 0.292 44.9 97.4 -81.7 10.8 31.8 -22.5 -6.2 68 149 A V T 3 + 0 0 53 288,-0.3 -1,-0.2 282,-0.0 289,-0.1 0.790 61.0 102.2 -63.5 -24.2 34.4 -20.1 -7.6 69 150 A H < - 0 0 98 -3,-1.0 3,-0.1 1,-0.1 289,-0.1 -0.335 67.1-147.9 -69.0 141.4 31.4 -18.4 -9.3 70 151 A D S S+ 0 0 75 1,-0.2 2,-0.5 -2,-0.0 -1,-0.1 0.767 74.8 44.3 -82.5 -29.1 30.3 -15.2 -7.6 71 152 A R + 0 0 80 43,-0.0 -1,-0.2 3,-0.0 46,-0.1 -0.944 56.2 140.1-132.9 111.5 26.6 -15.2 -8.3 72 153 A I > - 0 0 46 -2,-0.5 3,-1.5 -3,-0.1 24,-0.1 -0.947 56.8-112.8-136.8 159.1 24.1 -18.1 -8.1 73 154 A P T 3 S+ 0 0 41 0, 0.0 -17,-0.1 0, 0.0 23,-0.1 0.640 110.4 65.2 -68.6 -12.8 20.5 -18.0 -6.8 74 155 A H T 3 S+ 0 0 15 -19,-0.1 2,-0.2 21,-0.1 -18,-0.2 0.472 71.4 113.7 -91.8 -4.4 21.4 -20.2 -3.8 75 156 A R < + 0 0 2 -3,-1.5 21,-1.8 -20,-0.2 2,-0.3 -0.513 43.1 176.3 -69.7 133.8 23.7 -17.7 -2.2 76 157 A T E - G 0 95B 0 19,-0.3 -22,-3.2 -2,-0.2 2,-0.5 -0.960 35.4-104.7-137.0 151.9 22.3 -16.5 1.1 77 158 A L E -FG 53 94B 0 17,-2.1 16,-2.9 -2,-0.3 17,-0.6 -0.703 36.0-155.1 -80.5 122.2 23.7 -14.2 3.8 78 159 A L E -FG 52 92B 0 -26,-3.2 -26,-1.3 -2,-0.5 2,-0.4 -0.760 9.9-171.0 -97.0 144.6 24.8 -16.2 6.9 79 160 A M E +FG 51 91B 13 12,-1.7 12,-0.7 -2,-0.3 2,-0.3 -0.935 14.9 151.9-142.8 118.2 24.9 -14.6 10.4 80 161 A N E -F 50 0B 17 -30,-2.4 -30,-2.4 -2,-0.4 3,-0.1 -0.906 54.2 -82.6-130.1 162.4 26.5 -16.1 13.5 81 162 A E E > -F 49 0B 64 -2,-0.3 3,-2.4 -32,-0.3 -32,-0.3 -0.391 69.2 -84.8 -57.1 144.2 28.0 -14.7 16.7 82 163 A L T 3 S+ 0 0 13 -34,-2.5 -1,-0.1 1,-0.3 -34,-0.1 -0.312 118.7 23.9 -57.7 128.7 31.6 -13.9 15.9 83 164 A G T 3 S+ 0 0 0 1,-0.3 787,-1.8 786,-0.1 -1,-0.3 0.321 89.9 113.8 96.3 -11.2 33.8 -17.0 16.4 84 165 A V < - 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