==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-94 1INV . COMPND 2 MOLECULE: INFLUENZA VIRUS B/LEE/40 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR C.L.WHITE,M.N.JANAKIRAMAN,W.G.LAVER,C.PHILIPPON,A.VASELLA,G. . 390 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 35.6 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 . 2 0.5 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 . 2 0.5 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 . 39 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 4 8 2 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 3 2 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 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 77 A E 0 0 202 0, 0.0 2,-0.1 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 149.5 50.1 -2.1 31.5 2 78 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 108,-0.0 -0.489 360.0-109.5 -67.6 140.7 50.4 -5.4 33.6 3 79 A E - 0 0 135 -2,-0.1 2,-0.1 1,-0.1 154,-0.0 -0.301 37.4 -96.5 -71.2 161.5 47.8 -8.0 32.5 4 80 A W - 0 0 41 1,-0.1 2,-0.3 153,-0.1 105,-0.2 -0.326 41.4-104.4 -71.5 162.8 44.9 -8.8 34.7 5 81 A T + 0 0 22 103,-2.0 152,-2.3 -3,-0.1 153,-0.4 -0.652 36.9 178.0 -93.0 144.3 44.9 -11.7 37.0 6 82 A Y - 0 0 120 -2,-0.3 150,-0.1 150,-0.2 2,-0.1 -0.972 37.6 -99.7-139.9 147.4 43.0 -15.0 36.3 7 83 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.433 43.7-168.7 -69.2 141.4 42.9 -18.2 38.3 8 84 A R - 0 0 79 1,-0.1 2,-0.2 -2,-0.1 272,-0.2 -0.557 35.9 -68.5-115.2-172.3 45.3 -20.9 36.8 9 85 A L - 0 0 95 334,-0.3 336,-1.8 -2,-0.2 272,-0.2 -0.567 60.4-106.6 -77.2 146.3 45.7 -24.6 37.5 10 86 A S B -a 345 0A 15 270,-1.8 336,-0.2 334,-0.2 -1,-0.1 -0.260 39.4 -94.9 -69.4 162.0 47.1 -25.3 41.0 11 87 A a - 0 0 15 334,-2.7 -1,-0.1 1,-0.1 2,-0.1 -0.361 51.9 -82.8 -76.7 158.0 50.6 -26.5 41.3 12 88 A Q S S+ 0 0 170 -2,-0.1 362,-0.5 2,-0.0 2,-0.3 -0.408 76.7 113.8 -62.2 135.5 51.4 -30.2 41.6 13 89 A G B -e 374 0B 22 360,-0.2 362,-0.2 -2,-0.1 3,-0.1 -0.880 45.2-159.0 170.9 162.1 51.0 -31.6 45.1 14 90 A S S S+ 0 0 59 360,-2.9 2,-0.3 -2,-0.3 361,-0.2 0.285 75.2 42.0-140.4 1.4 48.9 -34.0 47.0 15 91 A T - 0 0 5 359,-1.3 358,-3.4 360,-0.1 2,-0.3 -0.980 68.0-125.7-149.9 159.3 49.3 -32.8 50.6 16 92 A F E -B 372 0A 0 356,-0.3 2,-0.3 -2,-0.3 356,-0.3 -0.753 29.0-171.6 -99.3 150.9 49.6 -29.7 52.8 17 93 A Q E -B 371 0A 31 354,-2.4 354,-1.8 -2,-0.3 2,-0.2 -0.963 36.2 -84.1-141.7 157.5 52.6 -29.1 55.0 18 94 A K E +B 370 0A 74 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.462 51.5 164.9 -62.1 125.8 53.5 -26.6 57.7 19 95 A A E - 0 0 52 350,-2.5 2,-0.3 1,-0.3 351,-0.2 0.837 49.2 -7.7-111.4 -52.3 54.9 -23.6 56.0 20 96 A L E -B 369 0A 70 349,-1.4 349,-2.9 2,-0.0 2,-0.4 -1.000 42.3-154.5-156.2 150.9 55.2 -20.5 58.3 21 97 A L E -B 368 0A 60 -2,-0.3 2,-0.7 347,-0.2 347,-0.2 -0.993 3.4-166.2-131.5 123.9 54.2 -19.0 61.7 22 98 A I E +B 367 0A 5 345,-2.6 345,-2.0 -2,-0.4 65,-0.0 -0.918 19.1 165.2-111.4 99.5 53.8 -15.3 62.4 23 99 A S > + 0 0 9 -2,-0.7 3,-1.6 343,-0.2 4,-0.2 -0.741 6.6 172.5-119.3 80.1 53.8 -15.0 66.2 24 100 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.803 71.7 67.6 -60.3 -27.6 54.3 -11.3 67.0 25 101 A H G > S+ 0 0 7 1,-0.3 3,-0.9 2,-0.2 362,-0.2 0.416 76.2 81.0 -78.8 5.4 53.7 -11.7 70.7 26 102 A R G < S+ 0 0 141 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.560 100.4 44.0 -79.7 -12.5 56.8 -13.8 71.2 27 103 A F G < S+ 0 0 97 -3,-1.6 7,-0.6 -4,-0.2 -1,-0.2 0.084 90.4 88.6-119.1 25.1 58.4 -10.3 71.2 28 104 A G < + 0 0 1 -3,-0.9 -2,-0.1 7,-0.1 -1,-0.1 0.341 51.6 138.6-106.9 9.7 55.8 -8.5 73.5 29 105 A E > - 0 0 68 -3,-0.2 3,-1.6 1,-0.1 5,-0.3 -0.199 64.0-124.3 -56.4 143.0 57.4 -9.3 76.9 30 106 A I T 3 S+ 0 0 133 1,-0.3 -1,-0.1 3,-0.1 360,-0.0 0.881 117.4 52.5 -50.8 -39.7 57.4 -6.4 79.4 31 107 A K T 3 S+ 0 0 189 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.562 98.5 85.2 -70.7 -21.3 61.2 -7.1 79.4 32 108 A G S < S- 0 0 24 -3,-1.6 -5,-0.1 1,-0.1 -4,-0.1 -0.112 74.0-133.6 -77.5-176.2 61.5 -6.8 75.6 33 109 A N + 0 0 168 -6,-0.0 2,-0.2 -2,-0.0 -5,-0.1 0.030 66.1 107.1-127.2 24.0 62.0 -3.8 73.4 34 110 A S - 0 0 54 -7,-0.6 -2,-0.1 -5,-0.3 56,-0.0 -0.545 54.7-147.4-103.6 170.8 59.4 -4.6 70.6 35 111 A A + 0 0 36 -2,-0.2 56,-1.9 26,-0.1 2,-0.1 -0.475 20.1 178.0-133.8 60.2 56.0 -3.2 69.6 36 112 A P B -F 90 0C 0 0, 0.0 26,-1.8 0, 0.0 54,-0.2 -0.458 31.8-118.2 -66.5 139.8 53.7 -5.9 68.2 37 113 A L E -G 61 0D 6 52,-2.1 2,-0.7 24,-0.2 24,-0.3 -0.435 20.0-115.4 -75.9 151.4 50.2 -4.6 67.3 38 114 A I E + 0 0 0 22,-2.7 20,-2.5 -2,-0.1 21,-0.4 -0.812 53.4 159.2 -90.3 114.8 47.1 -6.0 68.9 39 115 A I E -G 57 0D 3 -2,-0.7 2,-0.3 18,-0.2 18,-0.2 -0.822 27.2-179.5-132.2 174.2 45.1 -7.7 66.2 40 116 A R E +G 56 0D 20 16,-1.1 16,-2.0 -2,-0.3 325,-0.1 -0.927 64.8 42.8-165.6 161.2 42.3 -10.2 65.4 41 117 A E E S- 0 0 13 -2,-0.3 2,-0.1 14,-0.2 62,-0.1 0.919 72.2-178.4 59.9 51.0 40.8 -11.5 62.1 42 118 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.429 6.9 167.5 -81.3 154.4 44.0 -11.8 60.1 43 119 A F E -G 54 0D 0 11,-2.1 11,-1.9 -2,-0.1 2,-0.4 -0.921 25.0-130.2-151.3 173.4 44.0 -13.0 56.5 44 120 A V E +G 53 0D 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.987 17.8 179.3-132.6 143.7 46.4 -13.1 53.6 45 121 A A E -G 52 0D 3 7,-1.8 7,-2.7 -2,-0.4 2,-0.4 -0.988 14.4-152.2-143.1 136.6 46.0 -12.0 50.0 46 122 A b E -G 51 0D 23 -2,-0.3 61,-0.4 292,-0.3 5,-0.3 -0.885 8.4-163.3-119.7 147.3 48.6 -12.2 47.3 47 123 A G - 0 0 6 3,-2.9 293,-0.5 -2,-0.4 3,-0.5 -0.367 52.2 -81.6-102.0-165.2 49.4 -10.3 44.1 48 124 A P S S+ 0 0 53 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.834 126.3 24.8 -72.4 -29.4 51.6 -11.7 41.4 49 125 A K S S+ 0 0 172 1,-0.2 2,-0.2 292,-0.0 292,-0.0 0.110 125.4 19.9-124.6 25.9 54.8 -10.7 43.1 50 126 A E - 0 0 66 -3,-0.5 -3,-2.9 2,-0.0 2,-0.3 -0.820 57.8-134.0 173.8 145.1 54.1 -10.6 46.8 51 127 A b E -G 46 0D 18 -5,-0.3 34,-2.9 -2,-0.2 2,-0.4 -0.834 19.5-153.4-109.9 145.4 51.7 -11.6 49.6 52 128 A R E -GH 45 84D 37 -7,-2.7 -7,-1.8 -2,-0.3 2,-0.7 -0.933 8.8-142.0-120.3 146.3 50.4 -9.3 52.3 53 129 A H E -GH 44 83D 7 30,-2.8 30,-1.2 -2,-0.4 -9,-0.2 -0.932 26.6-169.8-110.6 104.7 49.3 -10.2 55.7 54 130 A F E +GH 43 82D 0 -11,-1.9 -11,-2.1 -2,-0.7 2,-0.3 -0.563 12.8 157.4 -95.5 161.7 46.2 -8.1 56.7 55 131 A A E - H 0 81D 5 26,-1.7 26,-2.7 -13,-0.2 2,-0.6 -0.973 42.4-107.2-170.5 165.9 44.4 -7.7 60.1 56 132 A L E -GH 40 80D 0 -16,-2.0 -16,-1.1 -2,-0.3 24,-0.2 -0.950 40.1-160.4-107.0 114.0 42.2 -5.4 62.1 57 133 A T E -GH 39 79D 0 22,-2.9 22,-1.4 -2,-0.6 -18,-0.2 -0.587 25.9-139.1 -94.4 160.3 44.1 -3.8 64.8 58 134 A H E - 0 0 15 -20,-2.5 20,-0.1 2,-0.3 -19,-0.1 0.212 51.3-111.4 -96.5 11.2 42.9 -2.1 68.0 59 135 A Y E S+ 0 0 118 -21,-0.4 2,-0.3 1,-0.3 -20,-0.1 0.906 86.1 103.7 59.2 45.8 45.5 0.6 67.4 60 136 A A E - 0 0 10 -22,-0.3 -22,-2.7 4,-0.0 -2,-0.3 -0.960 55.6-146.9-151.8 155.6 47.4 -0.6 70.5 61 137 A A E -G 37 0D 20 -2,-0.3 5,-0.3 -24,-0.3 -24,-0.2 -0.854 25.4 -90.4-126.0 167.0 50.6 -2.6 71.1 62 138 A Q S S+ 0 0 5 -26,-1.8 2,-0.1 -2,-0.3 -33,-0.1 -0.987 111.8 38.5-121.3 123.7 52.0 -5.0 73.7 63 139 A P S S+ 0 0 51 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.519 104.2 104.1 -72.4 157.5 53.5 -3.9 76.0 64 140 A G S S- 0 0 46 -2,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.965 72.3-105.4-176.7-170.3 51.2 -1.0 76.4 65 141 A G S S+ 0 0 67 -2,-0.3 3,-0.3 1,-0.1 -3,-0.1 0.259 91.3 79.3-125.8 14.1 48.3 0.7 78.3 66 142 A Y + 0 0 184 -5,-0.3 -1,-0.1 1,-0.2 -4,-0.0 -0.343 48.6 120.2-119.7 48.2 45.3 0.3 76.0 67 143 A Y > + 0 0 55 -3,-0.1 3,-1.9 2,-0.1 2,-0.4 0.736 48.4 95.2 -79.3 -28.2 44.3 -3.3 76.7 68 144 A N T 3 S+ 0 0 147 -3,-0.3 292,-0.1 1,-0.3 294,-0.1 -0.557 94.9 19.5 -68.9 118.2 40.9 -2.4 78.0 69 145 A G T > S+ 0 0 21 -2,-0.4 3,-0.5 290,-0.3 -1,-0.3 0.435 86.0 114.2 103.1 1.2 38.6 -2.8 75.0 70 146 A T T < S+ 0 0 5 -3,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.487 78.6 53.4 -82.0 -3.0 40.8 -5.0 72.9 71 147 A R T 3 S+ 0 0 91 -4,-0.2 -1,-0.2 288,-0.1 2,-0.2 0.508 88.5 97.3-102.0 -13.9 38.2 -7.8 73.3 72 148 A K < - 0 0 112 -3,-0.5 3,-0.1 1,-0.1 0, 0.0 -0.518 67.5-148.4 -73.1 144.3 35.4 -5.5 72.0 73 149 A D S S+ 0 0 82 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.878 71.8 33.1 -87.3 -45.4 34.7 -6.0 68.3 74 150 A R + 0 0 68 3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.955 67.9 129.0-120.5 138.1 33.6 -2.7 66.9 75 151 A N - 0 0 42 -2,-0.4 44,-0.2 -3,-0.1 3,-0.2 -0.921 65.8 -90.2-166.7 179.3 34.8 0.7 68.0 76 152 A K S S+ 0 0 204 -2,-0.3 -2,-0.0 1,-0.2 25,-0.0 0.386 114.9 58.9 -85.7 -0.3 36.2 4.0 66.4 77 153 A L S S+ 0 0 102 22,-0.1 -1,-0.2 2,-0.0 -20,-0.1 0.700 73.6 111.5 -99.9 -26.5 39.8 2.9 66.7 78 154 A R - 0 0 5 -3,-0.2 22,-1.6 -20,-0.1 2,-0.3 -0.172 43.2-179.3 -56.5 138.7 40.0 -0.3 64.7 79 155 A H E -HI 57 99D 37 -22,-1.4 -22,-2.9 20,-0.3 2,-0.5 -0.994 32.3-117.7-139.9 149.2 41.9 -0.1 61.5 80 156 A L E +HI 56 98D 0 18,-2.7 17,-2.5 -2,-0.3 18,-0.9 -0.741 45.1 174.5 -85.3 122.1 42.8 -2.5 58.6 81 157 A V E -HI 55 96D 2 -26,-2.7 -26,-1.7 -2,-0.5 2,-0.3 -0.827 10.3-173.1-125.6 166.5 46.6 -2.9 58.6 82 158 A S E -HI 54 95D 1 13,-1.4 13,-1.6 -2,-0.3 2,-0.3 -0.993 12.7-170.8-159.8 159.0 49.1 -5.0 56.7 83 159 A V E -H 53 0D 2 -30,-1.2 -30,-2.8 -2,-0.3 2,-0.2 -0.874 47.6 -84.5-138.9 163.6 52.7 -6.0 56.3 84 160 A K E > -H 52 0D 94 -2,-0.3 3,-2.4 -32,-0.2 -32,-0.3 -0.554 63.1 -91.8 -70.2 140.9 54.5 -8.0 53.6 85 161 A L T 3 S+ 0 0 37 -34,-2.9 -34,-0.2 1,-0.3 -1,-0.1 -0.387 117.0 35.8 -55.9 123.7 54.0 -11.7 54.5 86 162 A G T 3 S+ 0 0 43 1,-0.5 2,-0.3 -2,-0.1 -1,-0.3 0.158 92.7 102.3 116.6 -18.9 57.0 -12.7 56.5 87 163 A K S < S- 0 0 106 -3,-2.4 -1,-0.5 -65,-0.0 -4,-0.1 -0.722 79.0-111.0 -97.5 149.1 57.5 -9.4 58.5 88 164 A I - 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