==== 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 HYDROLASE 15-FEB-99 1B9T . COMPND 2 MOLECULE: PROTEIN (NEURAMINIDASE); . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (B/LEE/40); . AUTHOR J.B.FINLEY,V.R.ATIGADDA,F.DUARTE,J.J.ZHAO,W.J.BROUILLETTE,G. . 390 1 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 35.4 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 . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 4.4 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 . 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 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 . 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 . 2 1 2 1 4 7 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 1 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 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 0 197 0, 0.0 109,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.5 50.7 -1.4 31.1 2 78 A P - 0 0 74 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.218 360.0-118.9 -66.9 159.1 50.1 -4.6 33.0 3 79 A E - 0 0 138 106,-0.1 155,-0.1 1,-0.1 154,-0.0 -0.586 34.3 -86.4 -98.6 163.2 47.3 -7.0 32.1 4 80 A W - 0 0 34 -2,-0.2 2,-0.4 153,-0.1 105,-0.2 -0.271 41.9-108.5 -68.9 152.4 44.3 -8.1 34.1 5 81 A T - 0 0 25 103,-1.7 152,-2.1 -2,-0.0 153,-0.5 -0.661 36.8-179.2 -85.4 132.3 44.3 -11.0 36.6 6 82 A Y - 0 0 113 -2,-0.4 2,-0.4 150,-0.2 150,-0.1 -0.898 33.9-103.2-127.4 154.3 42.5 -14.2 35.7 7 83 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 3,-0.0 -0.643 44.2-175.8 -79.4 133.3 42.0 -17.5 37.6 8 84 A R - 0 0 73 -2,-0.4 272,-0.2 1,-0.1 2,-0.2 -0.562 36.1 -67.4-116.6-174.5 44.3 -20.2 36.3 9 85 A L - 0 0 94 334,-0.2 336,-1.7 -2,-0.2 272,-0.2 -0.481 55.8-110.6 -74.8 144.6 44.7 -23.9 37.1 10 86 A S B -a 345 0A 9 270,-1.4 336,-0.2 334,-0.2 -1,-0.1 -0.345 39.9 -94.3 -71.5 158.1 46.2 -24.7 40.5 11 87 A a - 0 0 21 334,-2.0 -1,-0.1 1,-0.1 2,-0.1 -0.303 51.1 -87.9 -69.2 157.2 49.7 -26.1 40.8 12 88 A Q S S+ 0 0 150 -3,-0.1 362,-0.5 2,-0.0 2,-0.3 -0.400 76.4 105.5 -68.5 143.2 50.1 -29.9 40.9 13 89 A G B -e 374 0B 12 360,-0.2 362,-0.2 -3,-0.1 3,-0.1 -0.897 49.0-147.3 164.3 173.2 50.0 -31.3 44.4 14 90 A S + 0 0 61 360,-3.1 2,-0.3 -2,-0.3 361,-0.2 0.267 69.4 48.6-152.7 14.4 47.6 -33.3 46.6 15 91 A T - 0 0 3 359,-1.0 358,-2.4 360,-0.1 2,-0.4 -0.986 65.5-122.9-154.1 162.4 48.2 -32.3 50.3 16 92 A F E -B 372 0A 0 -2,-0.3 2,-0.3 356,-0.2 356,-0.2 -0.880 28.4-178.3-110.0 141.1 48.5 -29.4 52.6 17 93 A Q E -B 371 0A 32 354,-1.9 354,-1.8 -2,-0.4 2,-0.1 -0.942 40.8 -81.5-137.5 156.7 51.5 -28.7 54.8 18 94 A K E +B 370 0A 68 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.387 50.3 170.6 -56.3 122.8 52.5 -26.1 57.4 19 95 A A E - 0 0 48 350,-2.4 2,-0.3 1,-0.3 351,-0.2 0.846 51.8 -19.8-102.2 -66.5 53.8 -23.2 55.4 20 96 A L E -B 369 0A 73 349,-0.5 349,-3.0 2,-0.0 2,-0.4 -0.994 47.4-150.0-148.3 151.5 54.4 -20.2 57.7 21 97 A L E -B 368 0A 54 -2,-0.3 2,-0.5 347,-0.2 347,-0.2 -0.978 2.5-163.1-125.4 138.9 53.5 -18.8 61.1 22 98 A I E +B 367 0A 5 345,-1.2 345,-1.7 -2,-0.4 3,-0.1 -0.857 17.5 165.7-122.0 92.4 53.2 -15.1 62.1 23 99 A S > + 0 0 10 -2,-0.5 3,-1.7 343,-0.2 343,-0.1 -0.718 4.3 173.9-110.1 81.0 53.2 -14.8 65.9 24 100 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.696 75.1 64.1 -59.3 -20.9 53.8 -11.0 66.4 25 101 A H G 3 S+ 0 0 7 1,-0.2 3,-0.3 2,-0.2 362,-0.2 0.252 74.6 84.4 -92.9 16.7 53.3 -11.4 70.2 26 102 A R G < S+ 0 0 145 -3,-1.7 -1,-0.2 1,-0.2 3,-0.1 0.288 101.3 41.9 -90.3 4.6 56.3 -13.7 70.6 27 103 A F S < S+ 0 0 92 -3,-0.7 7,-0.7 35,-0.1 -1,-0.2 0.236 88.5 89.4-133.4 8.9 57.9 -10.3 70.8 28 104 A G + 0 0 0 -3,-0.3 -3,-0.1 7,-0.1 -2,-0.1 0.068 52.2 141.8-100.1 25.3 55.5 -8.3 73.0 29 105 A E - 0 0 68 1,-0.1 5,-0.2 33,-0.1 361,-0.1 -0.208 63.7-122.8 -59.7 157.0 57.0 -9.1 76.4 30 106 A I S S+ 0 0 135 1,-0.2 -1,-0.1 3,-0.1 360,-0.0 0.791 119.4 50.6 -69.0 -26.4 57.1 -6.3 78.9 31 107 A K S S+ 0 0 205 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 0.697 98.1 84.4 -82.1 -25.1 60.8 -7.2 78.8 32 108 A G S S- 0 0 23 1,-0.1 -4,-0.1 2,-0.0 -5,-0.1 0.001 73.0-133.9 -72.7-177.9 61.2 -7.0 75.0 33 109 A N + 0 0 173 -6,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.095 68.3 102.1-126.1 22.6 61.8 -4.0 72.8 34 110 A S - 0 0 60 -7,-0.7 -2,-0.0 -5,-0.2 56,-0.0 -0.546 55.3-148.8-104.6 171.0 59.3 -4.6 70.1 35 111 A A + 0 0 39 -2,-0.2 56,-2.0 26,-0.1 2,-0.2 -0.565 17.1 179.6-141.6 73.3 55.8 -3.2 69.3 36 112 A P B -F 90 0C 0 0, 0.0 26,-2.0 0, 0.0 54,-0.3 -0.550 32.7-114.7 -75.5 140.7 53.4 -5.6 67.6 37 113 A L E -G 61 0D 7 52,-2.0 2,-0.6 24,-0.2 24,-0.3 -0.465 21.9-119.3 -75.7 144.7 49.9 -4.2 66.8 38 114 A I E + 0 0 0 22,-2.9 20,-2.3 -2,-0.1 22,-0.4 -0.765 54.4 152.0 -83.7 120.5 46.9 -5.6 68.6 39 115 A I E -G 57 0D 9 -2,-0.6 2,-0.3 18,-0.2 18,-0.2 -0.664 30.0-166.9-137.0-169.1 44.6 -7.0 65.9 40 116 A R E +G 56 0D 18 16,-0.7 16,-1.9 -2,-0.2 324,-0.0 -0.941 63.2 45.1-175.5 164.0 41.9 -9.4 64.7 41 117 A E E S- 0 0 14 -2,-0.3 -1,-0.1 14,-0.2 62,-0.1 0.945 71.4-173.9 55.0 55.8 40.3 -10.8 61.6 42 118 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.381 7.8 172.4 -77.5 159.3 43.6 -11.3 59.7 43 119 A F E -G 54 0D 0 11,-2.2 11,-2.2 108,-0.1 2,-0.4 -0.944 23.9-135.7-166.4 144.6 43.6 -12.3 56.1 44 120 A V E +G 53 0D 2 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.852 20.4 175.5-107.6 141.1 46.0 -12.7 53.2 45 121 A A E -G 52 0D 3 7,-2.1 7,-3.2 -2,-0.4 2,-0.3 -0.984 13.6-153.7-140.0 144.3 45.5 -11.6 49.7 46 122 A b E -G 51 0D 21 -2,-0.3 61,-0.5 5,-0.3 5,-0.3 -0.931 9.2-163.0-127.6 150.8 48.0 -11.8 46.8 47 123 A G - 0 0 6 3,-3.4 293,-0.4 -2,-0.3 61,-0.0 -0.400 51.4 -82.0-108.8-168.7 48.8 -10.0 43.6 48 124 A P S S+ 0 0 55 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.781 127.9 26.5 -69.7 -24.8 51.0 -11.2 40.7 49 125 A K S S+ 0 0 189 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.611 124.9 20.2-112.7 -17.7 54.2 -10.1 42.5 50 126 A E - 0 0 72 2,-0.0 -3,-3.4 34,-0.0 2,-0.4 -1.000 55.0-135.6-156.0 156.1 53.5 -10.1 46.2 51 127 A b E -G 46 0D 14 -2,-0.3 34,-2.7 -5,-0.3 2,-0.4 -0.895 24.3-156.2-109.2 139.4 51.3 -11.4 49.0 52 128 A R E -GH 45 84D 23 -7,-3.2 -7,-2.1 -2,-0.4 2,-0.9 -0.954 13.1-140.9-123.6 140.7 50.1 -9.1 51.7 53 129 A H E -GH 44 83D 5 30,-2.9 30,-1.6 -2,-0.4 -9,-0.2 -0.812 28.6-174.3 -98.1 94.0 49.0 -9.8 55.2 54 130 A F E +GH 43 82D 0 -11,-2.2 -11,-2.2 -2,-0.9 2,-0.3 -0.436 10.7 156.3 -84.5 162.9 46.0 -7.5 56.0 55 131 A A E - H 0 81D 5 26,-2.0 26,-2.2 -13,-0.2 2,-0.6 -0.973 42.9-101.7-171.3 175.2 44.2 -7.2 59.4 56 132 A L E -GH 40 80D 1 -16,-1.9 -16,-0.7 -2,-0.3 24,-0.2 -0.930 38.2-161.7-117.6 107.7 42.1 -5.0 61.6 57 133 A T E -GH 39 79D 0 22,-2.5 22,-1.7 -2,-0.6 -18,-0.2 -0.498 25.1-143.5 -89.9 157.1 44.1 -3.1 64.3 58 134 A H E - 0 0 16 -20,-2.3 20,-0.1 2,-0.3 -19,-0.1 0.011 52.1-109.5-101.8 23.5 42.8 -1.5 67.5 59 135 A Y E S+ 0 0 117 -21,-0.2 2,-0.3 1,-0.2 -20,-0.1 0.909 87.9 108.7 46.6 47.1 45.4 1.2 67.0 60 136 A A E - 0 0 8 -22,-0.4 -22,-2.9 4,-0.0 2,-0.3 -0.957 51.9-155.5-146.0 161.1 47.2 -0.3 70.0 61 137 A A E -G 37 0D 19 -2,-0.3 5,-0.3 -24,-0.3 -24,-0.2 -0.916 26.0 -84.7-138.9 164.8 50.4 -2.3 70.7 62 138 A Q S S+ 0 0 6 -26,-2.0 2,-0.1 -2,-0.3 -33,-0.1 -0.978 113.2 30.1-123.2 127.4 51.9 -4.7 73.2 63 139 A P S S+ 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.526 104.7 115.8 -75.1 148.5 53.3 -3.8 75.6 64 140 A G - 0 0 45 -2,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.844 67.3-109.2-157.8-166.4 51.1 -0.7 75.7 65 141 A G S S+ 0 0 70 -2,-0.2 3,-0.2 1,-0.1 2,-0.1 0.349 93.0 71.2-124.0 6.2 48.4 1.1 77.7 66 142 A Y + 0 0 188 -5,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.394 48.8 129.6-119.7 56.2 45.1 0.8 75.8 67 143 A Y > + 0 0 53 -3,-0.1 3,-1.5 2,-0.1 2,-0.5 0.737 47.1 97.0 -78.9 -22.8 44.2 -2.8 76.2 68 144 A N T 3 S+ 0 0 143 1,-0.2 292,-0.1 -3,-0.2 294,-0.1 -0.554 90.3 19.8 -72.6 119.9 40.7 -2.0 77.3 69 145 A G T > S+ 0 0 28 -2,-0.5 3,-1.0 290,-0.3 -1,-0.2 0.248 88.9 108.1 107.5 -10.9 38.3 -2.2 74.4 70 146 A T T < S+ 0 0 4 -3,-1.5 -2,-0.1 1,-0.3 292,-0.1 0.718 76.6 57.8 -70.7 -21.0 40.5 -4.4 72.2 71 147 A R T 3 S+ 0 0 67 -4,-0.3 -1,-0.3 288,-0.2 2,-0.2 0.594 92.7 84.9 -83.8 -11.8 38.1 -7.3 72.8 72 148 A K S < S- 0 0 102 -3,-1.0 3,-0.1 1,-0.1 0, 0.0 -0.526 71.4-148.1 -83.9 159.6 35.2 -5.2 71.4 73 149 A D + 0 0 69 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.921 69.4 47.0 -96.0 -58.5 34.8 -5.2 67.6 74 150 A R + 0 0 78 3,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.724 67.4 124.9 -94.9 137.9 33.4 -2.0 66.3 75 151 A N - 0 0 38 -2,-0.4 3,-0.5 -3,-0.1 44,-0.1 -0.975 66.2 -94.0-174.6 170.1 34.7 1.4 67.3 76 152 A K S S+ 0 0 202 -2,-0.3 -2,-0.0 1,-0.2 25,-0.0 0.465 115.3 54.3 -77.2 -3.0 36.2 4.7 66.1 77 153 A L S S+ 0 0 102 22,-0.0 -1,-0.2 2,-0.0 -20,-0.1 0.634 77.1 113.3-104.6 -18.6 39.8 3.7 66.4 78 154 A R + 0 0 3 -3,-0.5 22,-1.7 -20,-0.1 2,-0.3 -0.301 42.3 178.9 -60.9 133.6 39.8 0.5 64.3 79 155 A H E -HI 57 99D 37 -22,-1.7 -22,-2.5 20,-0.3 2,-0.6 -0.974 31.7-120.6-136.8 149.3 41.8 0.6 61.2 80 156 A L E +HI 56 98D 0 18,-2.2 17,-2.3 -2,-0.3 18,-0.9 -0.818 42.3 173.5 -89.9 119.7 42.6 -1.8 58.3 81 157 A V E -HI 55 96D 2 -26,-2.2 -26,-2.0 -2,-0.6 2,-0.3 -0.693 11.0-170.3-120.0 174.8 46.4 -2.3 58.2 82 158 A S E -HI 54 95D 0 13,-1.3 13,-1.0 -28,-0.2 2,-0.3 -0.938 10.4-171.3-169.5 143.5 48.7 -4.5 56.2 83 159 A V E -H 53 0D 2 -30,-1.6 -30,-2.9 -2,-0.3 2,-0.1 -0.843 46.5 -84.4-128.6 164.2 52.4 -5.7 56.0 84 160 A K E > -H 52 0D 94 -2,-0.3 3,-2.1 -32,-0.2 2,-0.5 -0.487 59.1 -92.2 -70.5 144.3 54.0 -7.8 53.3 85 161 A L T 3 S+ 0 0 28 -34,-2.7 -34,-0.2 1,-0.3 -1,-0.1 -0.419 117.3 36.1 -60.7 110.8 53.5 -11.5 53.9 86 162 A G T 3 S+ 0 0 49 1,-0.5 2,-0.4 -2,-0.5 -1,-0.3 0.274 95.1 99.3 127.2 -8.0 56.6 -12.5 55.9 87 163 A K S < S- 0 0 100 -3,-2.1 -1,-0.5 -65,-0.0 -4,-0.1 -0.868 78.5-111.8-109.7 143.4 57.0 -9.3 58.0 88 164 A I - 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