==== 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 COMPLEX (HYDROLASE/IMMUNOGLOBULIN) 06-MAY-94 1NMA . COMPND 2 MOLECULE: N9 NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR W.R.TULIP,J.N.VARGHESE,P.M.COLMAN . 609 3 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 36.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 2 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 . 6 3 3 7 2 12 2 0 3 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 . 1 0 6 2 0 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 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 N R 0 0 222 0, 0.0 106,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 98.0 82.9 71.1 66.1 2 83 N E - 0 0 168 104,-0.3 2,-0.5 0, 0.0 153,-0.1 -0.654 360.0 -96.6-172.5 129.8 81.4 67.9 67.8 3 84 N F - 0 0 43 -2,-0.2 103,-0.2 151,-0.1 151,-0.2 -0.536 45.7-119.8 -66.3 115.1 81.1 64.7 65.8 4 85 N N - 0 0 26 101,-0.9 150,-2.2 -2,-0.5 151,-0.4 -0.070 25.6-157.2 -51.6 144.5 77.5 64.6 64.6 5 86 N N - 0 0 69 148,-0.2 2,-1.4 149,-0.1 148,-0.1 -0.993 25.5-111.4-128.3 137.7 75.3 61.6 65.6 6 87 N L + 0 0 6 -2,-0.4 199,-1.1 1,-0.2 197,-0.1 -0.535 51.4 155.1 -75.4 94.9 72.2 60.3 63.7 7 88 N T B +A 204 0A 105 -2,-1.4 2,-0.2 197,-0.2 -1,-0.2 0.292 43.3 70.5-102.1 3.5 69.6 61.2 66.2 8 89 N K - 0 0 52 195,-0.6 329,-0.2 1,-0.0 2,-0.2 -0.655 63.8-123.8-129.1 176.1 66.5 61.5 63.9 9 90 N G E -b 337 0B 15 327,-1.0 329,-3.5 -2,-0.2 2,-0.3 -0.499 39.0 -94.7-101.8 179.5 63.8 59.8 61.8 10 91 N L E -b 338 0B 17 327,-0.3 2,-0.2 -2,-0.2 329,-0.2 -0.685 44.3-123.5 -85.7 147.8 62.8 60.3 58.0 11 92 N a - 0 0 27 327,-2.0 2,-0.4 -2,-0.3 329,-0.2 -0.579 36.5 -81.9 -90.7 162.3 59.9 62.7 57.6 12 93 N T - 0 0 90 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.471 46.5-150.8 -62.2 114.5 56.6 61.7 55.8 13 94 N I + 0 0 2 -2,-0.4 357,-0.2 1,-0.2 3,-0.1 -0.849 37.3 148.4 -94.1 112.4 57.5 62.2 52.2 14 95 N N + 0 0 22 355,-3.1 2,-0.3 -2,-0.8 356,-0.2 0.563 68.6 1.5-117.2 -26.2 54.3 63.2 50.3 15 96 N S E -C 369 0C 6 354,-1.4 354,-2.0 357,-0.1 2,-0.4 -0.898 66.6-121.6-149.2-177.7 55.7 65.4 47.6 16 97 N W E -C 368 0C 6 -2,-0.3 2,-0.3 352,-0.3 352,-0.2 -0.998 18.4-162.2-137.3 123.0 59.1 66.8 46.4 17 98 N H E -C 367 0C 49 350,-2.5 350,-1.8 -2,-0.4 358,-0.0 -0.719 35.5 -95.4-100.7 155.6 59.9 70.5 46.1 18 99 N I E +C 366 0C 77 -2,-0.3 348,-0.3 348,-0.2 3,-0.1 -0.339 41.4 171.7 -64.6 152.5 62.9 71.8 44.0 19 100 N Y E - 0 0 75 346,-2.9 2,-0.3 1,-0.5 347,-0.2 0.554 60.0 -2.7-124.6 -62.9 66.1 72.4 45.8 20 101 N G E +C 365 0C 3 345,-0.7 345,-2.7 2,-0.0 -1,-0.5 -0.866 47.1 167.6-134.3 161.3 68.8 73.1 43.2 21 102 N K E -C 364 0C 50 -2,-0.3 2,-0.5 343,-0.3 343,-0.2 -0.829 13.8-163.6-163.4 127.6 69.3 73.3 39.4 22 103 N D E -C 363 0C 3 341,-1.5 341,-0.7 -2,-0.3 3,-0.3 -0.993 15.1-147.4-115.0 128.9 72.4 74.8 37.8 23 104 N N >> + 0 0 66 -2,-0.5 4,-1.5 60,-0.3 3,-0.9 0.153 39.9 157.9 -91.6 38.6 71.7 75.5 34.1 24 105 N A H 3> + 0 0 4 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.546 61.7 47.0 -29.7 -52.0 75.3 74.7 33.3 25 106 N V H 3> S+ 0 0 33 -3,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.981 114.0 48.7 -66.7 -47.6 75.3 73.9 29.6 26 107 N R H <4 S+ 0 0 195 -3,-0.9 3,-0.4 1,-0.2 -2,-0.2 0.880 118.5 40.6 -63.0 -39.6 73.2 77.0 28.7 27 108 N I H >< S+ 0 0 62 -4,-1.5 3,-2.5 1,-0.2 -1,-0.2 0.958 111.0 59.7 -68.8 -41.9 75.5 79.2 30.7 28 109 N G H >< S+ 0 0 1 -4,-3.1 3,-0.7 1,-0.3 32,-0.5 0.603 85.2 74.5 -61.8 -18.9 78.5 77.3 29.4 29 110 N E T 3< S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.1 0.692 120.1 15.5 -68.0 -17.0 77.8 78.1 25.8 30 111 N D T < S+ 0 0 135 -3,-2.5 2,-0.3 -4,-0.2 -1,-0.2 -0.140 120.1 62.6-148.8 45.9 79.1 81.6 26.8 31 112 N S S < S- 0 0 61 -3,-0.7 2,-2.3 2,-0.1 29,-0.3 -0.980 90.0 -92.4-162.7 159.8 81.0 81.4 30.2 32 113 N D + 0 0 71 -2,-0.3 56,-2.7 26,-0.1 57,-0.4 -0.498 63.1 156.7 -85.3 72.5 84.1 79.6 31.5 33 114 N V B -F 87 0D 1 -2,-2.3 26,-1.0 54,-0.3 54,-0.3 -0.721 38.4-122.7 -94.6 144.6 82.3 76.6 32.8 34 115 N L E -G 58 0E 24 52,-3.4 2,-0.6 -2,-0.3 24,-0.3 -0.546 21.0-111.4 -89.3 154.1 84.2 73.3 33.2 35 116 N V E + 0 0 0 22,-2.6 20,-3.0 -2,-0.2 22,-0.3 -0.789 53.0 159.3 -83.4 120.2 83.4 70.0 31.5 36 117 N T E +G 54 0E 7 -2,-0.6 2,-0.2 18,-0.3 18,-0.2 -0.483 21.8 179.5-122.5-164.5 82.2 67.6 34.2 37 118 N R E +G 53 0E 28 16,-0.5 16,-1.7 1,-0.2 324,-0.1 -0.802 58.6 48.4 171.9 172.2 80.2 64.4 34.7 38 119 N E E S- 0 0 15 -2,-0.2 15,-1.1 14,-0.2 2,-0.2 0.958 72.2-177.5 35.5 87.4 79.2 62.2 37.7 39 120 N P E +G 52 0E 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.744 17.4 167.9-107.3 161.0 77.8 64.9 40.2 40 121 N Y E -G 51 0E 0 11,-1.7 11,-2.8 -2,-0.2 2,-0.4 -0.936 24.0-133.0-156.4 168.1 76.5 64.8 43.7 41 122 N V E +G 50 0E 0 -2,-0.3 108,-0.3 9,-0.2 2,-0.3 -0.987 24.7 172.6-134.1 144.7 75.7 67.4 46.4 42 123 N S E -G 49 0E 0 7,-1.7 7,-2.6 -2,-0.4 2,-0.3 -0.958 17.9-136.8-146.3 156.4 76.6 67.3 50.0 43 124 N b E -G 48 0E 2 286,-0.3 61,-0.5 -2,-0.3 5,-0.3 -0.811 5.6-159.7-120.6 159.5 76.4 69.7 53.0 44 125 N D E > -G 47 0E 25 3,-3.0 3,-2.4 -2,-0.3 2,-0.9 -0.870 57.1 -79.5-128.3 162.6 78.7 70.8 55.9 45 126 N P T 3 S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 285,-0.0 0.356 128.2 20.3 -60.0 5.3 77.0 72.4 59.1 46 127 N D T 3 S+ 0 0 141 -2,-0.9 2,-0.3 1,-0.3 -3,-0.0 0.148 124.2 39.8-151.6 11.6 76.6 75.9 57.4 47 128 N E E < -G 44 0E 72 -3,-2.4 -3,-3.0 2,-0.0 2,-0.4 -0.960 52.8-156.5-164.5 142.9 76.9 75.3 53.6 48 129 N b E -G 43 0E 12 -2,-0.3 34,-0.8 -5,-0.3 2,-0.3 -0.950 22.6-176.0-122.5 145.9 75.7 72.8 50.9 49 130 N R E -GH 42 81E 31 -7,-2.6 -7,-1.7 -2,-0.4 2,-0.3 -0.925 27.5-116.4-139.6 162.3 77.5 72.5 47.6 50 131 N F E -GH 41 80E 0 30,-2.2 30,-2.1 -2,-0.3 2,-0.3 -0.725 33.9-166.4 -95.9 147.2 77.4 70.7 44.3 51 132 N Y E +GH 40 79E 0 -11,-2.8 -11,-1.7 -2,-0.3 2,-0.3 -0.924 14.7 154.5-133.2 155.7 80.3 68.3 43.4 52 133 N A E -GH 39 78E 0 26,-1.6 26,-2.7 -2,-0.3 2,-0.6 -0.918 45.3-102.6-172.5 157.6 81.5 66.6 40.3 53 134 N L E -GH 37 77E 0 -16,-1.7 -16,-0.5 -15,-1.1 24,-0.2 -0.792 42.5-150.2 -87.5 121.4 84.6 65.1 38.5 54 135 N S E -GH 36 76E 1 22,-2.4 22,-0.6 -2,-0.6 -18,-0.3 -0.541 14.7-140.2 -88.1 165.3 85.8 67.6 36.0 55 136 N Q E - 0 0 17 -20,-3.0 20,-0.2 2,-0.3 -19,-0.1 -0.160 47.1-109.3-112.8 26.4 87.5 66.7 32.7 56 137 N G E S+ 0 0 38 -21,-0.2 2,-0.3 20,-0.1 -20,-0.1 0.778 86.7 70.4 50.0 47.7 90.1 69.6 33.0 57 138 N T E S- 0 0 20 -22,-0.3 -22,-2.6 7,-0.0 -2,-0.3 -0.956 81.1 -99.5-171.7 168.3 88.9 71.9 30.2 58 139 N T E > -G 34 0E 39 -2,-0.3 3,-0.6 -24,-0.3 -24,-0.2 -0.603 34.9-114.7 -92.7 165.9 85.9 74.3 29.4 59 140 N I T 3 S+ 0 0 9 -26,-1.0 5,-0.2 1,-0.2 -1,-0.1 0.981 115.2 43.8 -70.3 -49.3 83.0 73.1 27.2 60 141 N R T 3 S+ 0 0 171 -32,-0.5 -1,-0.2 -29,-0.3 2,-0.2 0.504 97.2 101.3 -76.6 3.4 83.6 75.6 24.3 61 142 N G S X S- 0 0 20 -3,-0.6 3,-1.6 1,-0.1 4,-0.3 -0.579 83.2-118.1 -89.5 151.3 87.4 74.9 24.5 62 143 N K G > S+ 0 0 187 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.742 107.1 67.5 -62.9 -25.2 89.1 72.5 22.0 63 144 N H G 3 S+ 0 0 161 1,-0.2 -1,-0.3 -5,-0.1 -3,-0.1 0.436 79.6 81.5 -75.7 4.7 90.3 70.0 24.6 64 145 N S G X + 0 0 12 -3,-1.6 3,-2.2 -5,-0.2 2,-0.8 0.776 65.7 102.7 -76.4 -27.7 86.6 69.0 25.2 65 146 N N T < S+ 0 0 97 -3,-1.3 293,-0.2 1,-0.3 292,-0.0 -0.450 87.8 24.4 -57.7 104.1 86.9 66.9 22.1 66 147 N G T > S+ 0 0 32 291,-2.2 3,-1.4 -2,-0.8 -1,-0.3 0.468 75.7 129.4 117.7 11.1 87.3 63.5 23.7 67 148 N T T < + 0 0 8 -3,-2.2 291,-0.1 290,-0.5 -2,-0.1 0.365 52.7 87.7 -80.1 7.3 85.6 63.9 27.1 68 149 N I T 3 S+ 0 0 60 289,-0.4 2,-0.3 -4,-0.1 -1,-0.3 0.797 73.3 86.8 -68.4 -23.0 83.4 60.8 26.5 69 150 N H < - 0 0 131 -3,-1.4 290,-0.1 1,-0.1 3,-0.0 -0.570 67.7-162.9 -79.6 132.8 86.4 59.0 28.1 70 151 N D + 0 0 81 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.085 61.5 54.3-115.8 32.7 86.1 59.0 31.9 71 152 N R + 0 0 91 -16,-0.0 2,-0.3 28,-0.0 -1,-0.1 -0.855 65.0 121.5-161.0 112.1 89.4 58.2 33.5 72 153 N S > - 0 0 46 -2,-0.3 3,-1.2 -3,-0.0 25,-0.1 -0.970 70.0 -87.2-163.0 175.8 92.6 60.2 32.8 73 154 N Q T 3 S+ 0 0 155 -2,-0.3 24,-0.0 1,-0.2 25,-0.0 0.628 115.1 60.3 -62.6 -21.2 95.4 62.3 34.4 74 155 N Y T 3 S+ 0 0 156 -19,-0.1 2,-0.3 22,-0.1 -1,-0.2 0.333 74.0 106.2 -97.2 1.8 93.4 65.5 34.1 75 156 N R < - 0 0 1 -3,-1.2 22,-1.3 -20,-0.2 2,-0.3 -0.652 43.5-178.4 -85.9 141.9 90.3 64.9 36.1 76 157 N D E -HI 54 96E 44 -22,-0.6 -22,-2.4 -2,-0.3 2,-0.6 -0.975 32.8-115.2-137.2 144.1 90.0 66.6 39.5 77 158 N L E -HI 53 95E 0 18,-2.4 17,-3.1 -2,-0.3 18,-0.7 -0.775 43.2-169.5 -77.4 121.2 87.2 66.3 42.1 78 159 N I E -HI 52 93E 1 -26,-2.7 -26,-1.6 -2,-0.6 2,-0.3 -0.908 17.5-161.6-114.1 144.9 85.6 69.9 42.3 79 160 N S E +HI 51 92E 0 13,-2.3 13,-2.6 -2,-0.3 -28,-0.2 -0.881 16.1 179.1-110.4 151.6 83.1 71.5 44.7 80 161 N W E -H 50 0E 2 -30,-2.1 -30,-2.2 -2,-0.3 3,-0.2 -0.985 37.0 -75.4-152.5 153.8 81.1 74.7 43.7 81 162 N P E > -H 49 0E 30 0, 0.0 3,-3.0 0, 0.0 -32,-0.2 -0.035 68.4 -76.4 -55.9 148.2 78.5 77.0 45.3 82 163 N L T 3 S- 0 0 62 -34,-0.8 -33,-0.1 1,-0.3 -41,-0.0 -0.272 114.7 -4.3 -59.9 119.3 74.9 75.7 45.4 83 164 N S T 3 S+ 0 0 46 1,-0.3 -60,-0.3 -3,-0.2 -1,-0.3 0.436 100.9 126.3 70.0 22.4 73.4 76.1 42.1 84 165 N S < - 0 0 29 -3,-3.0 -1,-0.3 -62,-0.1 -60,-0.2 -0.395 67.2-104.3 -85.1 165.8 76.3 77.8 40.5 85 166 N P - 0 0 25 0, 0.0 2,-1.9 0, 0.0 -1,-0.1 -0.701 39.8-102.5 -74.3 149.5 78.0 76.5 37.3 86 167 N P - 0 0 2 0, 0.0 -52,-3.4 0, 0.0 2,-0.3 -0.574 59.2-177.9 -64.3 82.9 81.3 74.7 37.8 87 168 N T B > -F 33 0D 21 -2,-1.9 4,-2.1 -54,-0.3 -54,-0.3 -0.771 39.2-121.9 -95.9 143.0 83.2 77.9 36.5 88 169 N V T 4 S+ 0 0 73 -56,-2.7 2,-0.7 -2,-0.3 -55,-0.1 0.725 115.5 49.0 -52.3 -26.4 87.0 78.0 36.2 89 169AN Y T 4 S+ 0 0 168 -57,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.822 121.3 31.1-110.5 80.4 87.0 81.0 38.6 90 170 N N T 4 S+ 0 0 80 -2,-0.7 -2,-0.2 1,-0.6 -1,-0.1 -0.095 85.0 97.8 172.2 -59.3 84.7 79.3 41.3 91 171 N S < - 0 0 22 -4,-2.1 -1,-0.6 -11,-0.1 2,-0.5 -0.386 61.7-142.3 -59.4 138.0 85.1 75.6 41.6 92 172 N R E -I 79 0E 119 -13,-2.6 -13,-2.3 -3,-0.1 2,-0.3 -0.905 13.8-133.7 -99.7 128.3 87.4 74.5 44.4 93 173 N V E -I 78 0E 69 -2,-0.5 -15,-0.2 -15,-0.2 3,-0.1 -0.702 21.7-174.4 -79.3 140.6 89.5 71.4 43.4 94 174 N E E - 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