==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-09 3K38 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR A.J.OAKLEY,J.L.MCKIMM-BRESCHKIN . 6224 16128128 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 180300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3768 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2200 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 32 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 128 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 . 24 0.4 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 . 609 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 302 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 . 44 16 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 . 20 16 16 16 51156 33 14 2 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 4 48 48 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 78 A P 0 0 137 0, 0.0 2,-0.2 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0 142.8 -22.2 5.6 11.4 2 79 A E - 0 0 133 106,-0.2 155,-0.1 1,-0.1 154,-0.0 -0.723 360.0 -73.7-120.8 167.5 -23.2 7.1 14.8 3 80 A W - 0 0 38 -2,-0.2 105,-0.3 153,-0.1 2,-0.2 -0.272 50.0-126.1 -58.1 146.6 -21.4 8.7 17.7 4 81 A T - 0 0 23 103,-1.5 152,-1.8 102,-0.0 153,-0.4 -0.609 23.3-171.6 -96.0 157.5 -19.4 6.3 20.0 5 82 A Y - 0 0 117 -2,-0.2 150,-0.1 150,-0.2 202,-0.1 -0.973 35.2 -93.5-140.0 148.6 -19.7 5.9 23.8 6 83 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.377 47.6-165.5 -59.1 146.7 -17.6 3.9 26.3 7 84 A R - 0 0 79 1,-0.1 272,-0.2 199,-0.1 336,-0.1 -0.759 33.9 -66.3-125.3 175.6 -19.1 0.5 27.0 8 85 A L - 0 0 110 -2,-0.2 336,-1.8 334,-0.2 272,-0.2 -0.271 63.3-110.2 -55.3 142.8 -18.7 -2.3 29.6 9 86 A S B -a 344 0A 14 270,-3.1 336,-0.2 334,-0.2 -1,-0.1 -0.479 35.2 -97.0 -77.7 156.4 -15.2 -3.7 29.2 10 87 A a - 0 0 5 334,-2.5 -1,-0.1 1,-0.1 1294,-0.0 -0.354 54.1 -82.5 -67.4 153.1 -14.7 -7.3 27.8 11 88 A P S S+ 0 0 99 0, 0.0 362,-0.5 0, 0.0 2,-0.2 -0.244 75.9 114.3 -58.3 150.8 -14.3 -10.1 30.4 12 89 A G B -e 373 0B 19 360,-0.2 362,-0.2 -3,-0.1 3,-0.1 -0.658 43.6-159.2 154.0 147.7 -10.8 -10.6 31.7 13 90 A S S S+ 0 0 60 360,-2.5 2,-0.3 -2,-0.2 361,-0.2 0.268 75.8 41.3-129.3 8.0 -9.0 -10.3 35.0 14 91 A T - 0 0 3 359,-1.0 358,-2.9 362,-0.1 2,-0.3 -0.996 69.9-123.3-156.6 147.7 -5.3 -10.0 33.8 15 92 A F E -B 371 0A 0 -2,-0.3 2,-0.3 356,-0.3 356,-0.3 -0.692 26.9-171.0 -89.8 152.7 -3.2 -8.3 31.2 16 93 A Q E -B 370 0A 2 354,-2.4 354,-1.9 -2,-0.3 2,-0.2 -0.932 38.0 -84.9-138.1 157.8 -0.9 -10.3 28.8 17 94 A K E +B 369 0A 4 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.471 50.7 170.4 -63.7 126.0 1.8 -9.3 26.3 18 95 A A E - 0 0 0 350,-3.0 1250,-1.9 1,-0.3 2,-0.3 0.818 50.3 -15.2-107.1 -55.7 -0.1 -8.5 23.0 19 96 A L E -B 368 0A 3 349,-1.4 349,-2.2 1248,-0.2 2,-0.5 -0.988 45.1-149.9-158.1 140.4 2.1 -7.0 20.4 20 97 A L E -B 367 0A 0 -2,-0.3 2,-0.7 347,-0.2 347,-0.2 -0.949 4.8-163.5-109.9 132.8 5.5 -5.3 20.0 21 98 A I E +B 366 0A 0 345,-2.9 345,-2.4 -2,-0.5 65,-0.0 -0.922 21.0 164.8-110.3 100.3 6.1 -2.7 17.3 22 99 A S > + 0 0 0 -2,-0.7 3,-1.3 343,-0.2 343,-0.1 -0.747 6.9 171.3-117.8 86.1 9.8 -2.5 17.1 23 100 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.788 71.8 67.4 -68.7 -29.4 10.6 -0.6 13.8 24 101 A H G > S+ 0 0 2 1,-0.3 3,-1.0 2,-0.2 362,-0.2 0.534 75.0 83.8 -76.6 -4.3 14.4 -0.3 14.5 25 102 A R G < S+ 0 0 16 -3,-1.3 1205,-0.4 1,-0.2 -1,-0.3 0.686 100.8 42.1 -58.1 -15.7 14.8 -4.1 14.2 26 103 A F G < S+ 0 0 1 -3,-1.6 7,-0.7 -4,-0.1 -1,-0.2 0.351 88.6 90.0-117.1 8.6 15.0 -3.1 10.5 27 104 A G < + 0 0 1 -3,-1.0 -1,-0.1 7,-0.1 -2,-0.1 0.119 53.7 135.7 -96.8 24.1 17.2 0.0 10.6 28 105 A E > - 0 0 4 -3,-0.2 3,-1.0 1,-0.1 5,-0.3 -0.358 63.9-127.4 -67.6 151.2 20.6 -1.6 10.2 29 106 A T T 3 S+ 0 0 99 1,-0.2 -1,-0.1 3,-0.1 360,-0.1 0.876 116.8 53.3 -58.1 -38.2 23.2 -0.2 7.9 30 107 A K T 3 S+ 0 0 159 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.570 103.1 78.3 -72.3 -13.6 23.3 -3.7 6.4 31 108 A G S < S- 0 0 3 -3,-1.0 1202,-0.1 2,-0.1 1173,-0.1 -0.191 74.8-135.5 -87.7-177.9 19.5 -3.7 6.0 32 109 A N + 0 0 27 1200,-0.4 2,-0.2 -6,-0.1 1172,-0.1 -0.105 65.4 106.1-131.3 32.5 17.2 -2.1 3.3 33 110 A S - 0 0 8 -7,-0.7 -2,-0.1 -5,-0.3 390,-0.1 -0.695 55.5-147.5-112.9 169.5 14.5 -0.5 5.4 34 111 A A + 0 0 6 -2,-0.2 56,-1.9 387,-0.1 2,-0.2 -0.470 19.2 179.3-135.4 61.2 13.5 3.0 6.5 35 112 A P B -F 89 0C 0 0, 0.0 26,-2.3 0, 0.0 54,-0.3 -0.480 34.0-115.7 -62.2 133.9 12.0 3.0 10.0 36 113 A L E -G 60 0D 1 52,-2.5 2,-0.6 24,-0.2 24,-0.2 -0.402 18.3-118.8 -73.2 146.5 11.1 6.5 11.1 37 114 A I E + 0 0 0 22,-3.0 20,-1.6 -2,-0.1 22,-0.4 -0.779 54.7 152.5 -84.9 121.9 12.8 8.1 14.0 38 115 A I E -G 56 0D 5 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.795 27.1-174.3-139.2 176.6 10.0 8.9 16.5 39 116 A R E +G 55 0D 13 16,-1.4 16,-2.7 -2,-0.2 325,-0.1 -0.939 63.0 47.4-162.9 178.1 9.1 9.4 20.1 40 117 A E E S- 0 0 3 -2,-0.3 62,-0.1 14,-0.2 -1,-0.1 0.905 72.5-175.8 50.3 48.2 6.0 9.9 22.2 41 118 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.385 8.0 167.3 -69.2 154.1 4.1 7.1 20.5 42 119 A F E -G 53 0D 1 11,-2.3 11,-3.0 108,-0.1 2,-0.4 -0.968 25.2-131.4-155.9 167.1 0.4 6.4 21.4 43 120 A I E -G 52 0D 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.4 -0.972 16.5-178.1-126.4 139.2 -2.5 4.4 20.1 44 121 A A E -G 51 0D 3 7,-2.0 7,-2.4 -2,-0.4 2,-0.3 -0.998 11.5-159.4-133.7 136.5 -6.1 5.4 19.5 45 122 A b E -G 50 0D 13 -2,-0.4 61,-0.5 292,-0.3 5,-0.3 -0.889 8.8-172.9-118.4 151.1 -8.9 3.1 18.2 46 123 A G - 0 0 4 3,-3.0 293,-0.5 -2,-0.3 65,-0.0 -0.532 55.1 -69.7-120.7-165.3 -12.2 3.6 16.5 47 124 A P S S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.652 128.4 13.7 -70.2 -17.1 -14.9 1.1 15.7 48 125 A K S S+ 0 0 162 1,-0.3 2,-0.3 1252,-0.0 1253,-0.0 0.563 123.3 38.1-126.1 -19.0 -12.9 -0.7 13.0 49 126 A E - 0 0 44 1252,-0.0 -3,-3.0 2,-0.0 2,-0.5 -0.979 52.9-148.1-140.8 146.8 -9.2 0.3 13.2 50 127 A b E -G 45 0D 2 -2,-0.3 34,-3.6 -5,-0.3 2,-0.5 -0.989 19.5-154.5-110.2 127.5 -6.5 1.2 15.7 51 128 A K E -GH 44 83D 27 -7,-2.4 -7,-2.0 -2,-0.5 2,-0.7 -0.867 8.0-143.2-100.4 131.0 -3.9 3.8 14.5 52 129 A H E -GH 43 82D 6 30,-3.4 30,-1.8 -2,-0.5 2,-0.2 -0.851 27.3-166.3 -89.1 110.8 -0.5 3.8 16.0 53 130 A F E +GH 42 81D 0 -11,-3.0 -11,-2.3 -2,-0.7 2,-0.3 -0.642 15.1 160.0 -97.5 153.0 0.6 7.4 16.4 54 131 A A E - H 0 80D 3 26,-2.0 26,-3.0 -13,-0.3 2,-0.6 -0.979 39.8-111.8-156.4 171.2 4.0 9.1 17.0 55 132 A L E -GH 39 79D 1 -16,-2.7 -16,-1.4 -2,-0.3 2,-0.3 -0.942 38.9-160.2-103.9 119.0 5.9 12.3 16.7 56 133 A T E -GH 38 78D 0 22,-3.0 22,-2.1 -2,-0.6 -18,-0.2 -0.751 27.7-142.5-102.4 150.5 8.7 12.0 14.1 57 134 A H E - 0 0 6 -20,-1.6 20,-0.1 -2,-0.3 -19,-0.1 0.119 53.9-110.8 -83.3 14.3 11.8 14.1 13.5 58 135 A Y E S+ 0 0 0 -21,-0.3 2,-0.3 1,-0.2 -20,-0.1 0.883 85.9 114.9 57.3 39.9 11.2 13.6 9.8 59 136 A A E - 0 0 0 -22,-0.4 -22,-3.0 357,-0.1 2,-0.3 -0.957 52.0-149.8-142.3 147.7 14.3 11.4 9.8 60 137 A A E -G 36 0D 2 355,-0.4 5,-0.4 -2,-0.3 -24,-0.2 -0.827 24.6 -93.8-118.6 164.3 14.9 7.7 9.2 61 138 A Q S S+ 0 0 4 -26,-2.3 -33,-0.1 -2,-0.3 2,-0.1 -0.986 111.4 35.6-115.0 131.2 17.3 5.0 10.3 62 139 A P S S+ 0 0 6 0, 0.0 360,-0.4 0, 0.0 2,-0.3 0.642 103.0 108.6 -67.8 151.0 19.7 4.5 8.6 63 140 A G S S- 0 0 8 358,-0.2 3,-0.3 -2,-0.1 353,-0.1 -0.981 72.3-108.0-174.8 180.0 20.1 8.1 7.6 64 141 A G S S+ 0 0 37 -2,-0.3 3,-0.2 351,-0.2 -3,-0.1 0.195 94.1 80.5-112.2 16.0 22.2 11.3 8.0 65 142 A Y + 0 0 23 -5,-0.4 -1,-0.2 1,-0.1 -4,-0.0 -0.183 48.7 118.5-115.2 40.7 19.8 13.4 10.2 66 143 A Y > + 0 0 52 -3,-0.3 3,-1.9 2,-0.1 4,-0.3 0.814 46.5 100.0 -72.4 -34.9 20.4 11.9 13.7 67 144 A N T 3 S+ 0 0 155 1,-0.2 292,-0.1 -3,-0.2 294,-0.1 -0.422 91.1 17.7 -58.0 123.1 21.7 15.2 15.1 68 145 A G T 3 S+ 0 0 42 290,-0.3 -1,-0.2 -2,-0.2 3,-0.2 0.460 86.8 115.9 92.5 7.6 18.8 16.9 17.1 69 146 A T S < S+ 0 0 4 -3,-1.9 -2,-0.1 291,-0.2 292,-0.1 0.687 71.3 60.2 -82.8 -17.7 16.7 13.7 17.5 70 147 A R S S+ 0 0 112 -4,-0.3 -1,-0.2 288,-0.2 -3,-0.1 0.753 93.8 83.1 -71.3 -24.7 17.2 13.7 21.3 71 148 A G - 0 0 38 -3,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.293 68.7-152.7 -72.3 162.6 15.4 17.2 21.3 72 149 A D + 0 0 59 1,-0.2 2,-0.5 5,-0.0 -1,-0.1 0.781 70.0 56.7-105.0 -35.9 11.6 17.4 21.3 73 150 A R + 0 0 99 3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.838 60.1 121.9-111.5 131.0 10.7 20.7 19.6 74 151 A N - 0 0 45 -2,-0.5 3,-0.3 -3,-0.1 44,-0.2 -0.951 67.8 -94.6-164.9 177.7 11.7 21.9 16.2 75 152 A K S S+ 0 0 65 -2,-0.3 697,-0.3 1,-0.2 -2,-0.0 0.532 118.0 53.1 -77.5 -7.4 10.3 23.0 12.9 76 153 A L S S+ 0 0 21 695,-0.1 -1,-0.2 22,-0.1 334,-0.1 0.672 76.7 117.8-104.0 -20.6 10.4 19.5 11.3 77 154 A R - 0 0 2 -3,-0.3 22,-2.5 -20,-0.1 2,-0.4 -0.195 43.0-177.0 -57.5 133.2 8.6 17.6 14.0 78 155 A H E -HI 56 98D 0 -22,-2.1 -22,-3.0 20,-0.3 2,-0.6 -0.986 32.2-118.5-138.3 145.2 5.4 15.9 12.7 79 156 A L E +HI 55 97D 0 18,-2.9 17,-2.6 -2,-0.4 18,-0.8 -0.673 44.0 177.5 -74.6 116.6 2.4 13.9 13.9 80 157 A I E -HI 54 95D 2 -26,-3.0 -26,-2.0 -2,-0.6 2,-0.3 -0.771 10.4-171.3-118.0 165.9 2.4 10.5 12.1 81 158 A S E -HI 53 94D 3 13,-1.4 13,-1.7 -2,-0.3 2,-0.3 -0.992 11.4-174.2-152.4 153.1 0.4 7.3 12.1 82 159 A V E -H 52 0D 5 -30,-1.8 -30,-3.4 -2,-0.3 2,-0.2 -0.960 47.3 -90.4-130.0 155.2 0.1 3.8 10.8 83 160 A K E > -H 51 0D 68 -2,-0.3 3,-2.6 -32,-0.3 -32,-0.3 -0.531 62.1 -96.7 -51.1 125.4 -2.6 1.2 11.1 84 161 A L T 3 S+ 0 0 13 -34,-3.6 -34,-0.2 1,-0.3 -1,-0.1 -0.317 116.4 40.3 -52.2 125.5 -1.6 -0.6 14.3 85 162 A G T 3 S+ 0 0 2 1,-0.5 1180,-2.5 1179,-0.1 2,-0.3 -0.109 93.8 102.7 121.6 -33.2 0.3 -3.7 13.2 86 163 A K S < S- 0 0 44 -3,-2.6 -1,-0.5 1178,-0.2 1178,-0.1 -0.619 79.1-113.3 -84.1 142.4 2.2 -1.9 10.4 87 164 A I - 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