==== 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 29-JAN-98 1A4G . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS (STRAIN B/BEIJING/1/ . AUTHOR A.CLEASBY,O.SINGH,T.SKARZYNSKI,A.J.WONACOTT . 780 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 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 . 1 0.1 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 . 63 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 2 12 14 4 2 0 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 2 6 6 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 76 A E 0 0 182 0, 0.0 109,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.3 -1.9 17.9 -5.4 2 77 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.272 360.0-109.6 -53.7 145.8 -2.5 20.9 -3.0 3 78 A E - 0 0 144 106,-0.2 2,-0.2 1,-0.1 0, 0.0 -0.462 34.5-102.5 -72.0 150.7 -6.2 21.6 -2.1 4 79 A W - 0 0 34 -2,-0.2 105,-0.3 105,-0.1 2,-0.2 -0.568 43.7-112.5 -72.8 141.0 -7.8 24.7 -3.5 5 80 A T - 0 0 22 103,-2.1 152,-1.7 -2,-0.2 153,-0.4 -0.497 34.4-178.3 -78.2 149.6 -8.0 27.5 -0.9 6 81 A Y - 0 0 110 150,-0.2 150,-0.1 -2,-0.2 2,-0.1 -0.948 37.4 -94.5-138.5 150.4 -11.3 28.8 0.6 7 82 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.487 45.4-166.5 -59.9 140.6 -12.1 31.5 3.2 8 83 A R - 0 0 83 -2,-0.1 272,-0.2 1,-0.1 337,-0.1 -0.773 34.4 -74.0-121.3 169.6 -12.4 30.0 6.7 9 84 A L - 0 0 96 -2,-0.2 336,-1.7 334,-0.2 272,-0.2 -0.334 60.0-103.1 -61.8 148.2 -13.8 31.5 9.9 10 85 A S B -a 345 0A 14 270,-2.9 336,-0.2 334,-0.2 -1,-0.1 -0.403 37.3 -97.8 -70.6 152.4 -11.5 34.0 11.5 11 86 A a - 0 0 19 334,-2.3 -1,-0.1 1,-0.1 361,-0.0 -0.318 54.9 -83.7 -65.2 154.4 -9.3 33.2 14.5 12 87 A Q S S+ 0 0 181 -3,-0.1 362,-0.4 334,-0.1 2,-0.2 -0.324 77.3 112.8 -61.0 140.2 -10.8 34.4 17.9 13 88 A G - 0 0 14 360,-0.1 362,-0.2 -3,-0.1 3,-0.1 -0.779 43.8-158.5 163.6 159.1 -10.0 38.0 18.8 14 89 A S S S+ 0 0 63 360,-2.9 2,-0.3 -2,-0.2 361,-0.2 0.240 74.6 43.8-142.9 8.7 -11.7 41.4 19.3 15 90 A T S S- 0 0 5 359,-1.0 358,-2.9 362,-0.1 2,-0.3 -0.975 71.0-126.3-150.0 154.2 -9.0 44.0 18.8 16 91 A F E -B 372 0A 0 305,-0.3 2,-0.3 -2,-0.3 356,-0.3 -0.672 26.9-167.0 -93.1 157.3 -6.2 44.6 16.4 17 92 A Q E -B 371 0A 37 354,-2.2 354,-1.8 -2,-0.3 2,-0.3 -0.927 34.0 -83.3-141.7 162.2 -2.6 45.1 17.7 18 93 A K E +B 370 0A 73 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.567 49.7 168.4 -68.2 127.9 0.7 46.4 16.2 19 94 A A E - 0 0 49 350,-2.7 2,-0.3 1,-0.3 351,-0.2 0.823 49.1 -19.2-108.2 -59.2 2.4 43.5 14.5 20 95 A L E -B 369 0A 69 349,-1.2 349,-2.7 2,-0.0 2,-0.4 -0.993 42.3-150.2-157.9 151.3 5.4 44.4 12.3 21 96 A L E -B 368 0A 53 -2,-0.3 2,-0.6 347,-0.2 347,-0.2 -0.990 4.2-163.9-128.7 129.9 6.9 47.4 10.5 22 97 A I E +B 367 0A 4 345,-2.8 345,-2.7 -2,-0.4 3,-0.1 -0.980 20.0 166.3-113.6 104.6 9.0 47.0 7.3 23 98 A S > + 0 0 8 -2,-0.6 3,-1.7 343,-0.2 343,-0.1 -0.728 6.1 174.4-122.6 82.4 10.8 50.2 7.0 24 99 A P G > S+ 0 0 7 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.785 72.1 65.3 -61.6 -33.3 13.5 49.5 4.4 25 100 A H G > S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 362,-0.2 0.456 75.5 84.5 -79.6 1.7 14.7 53.1 4.3 26 101 A R G < S+ 0 0 139 -3,-1.7 -1,-0.3 1,-0.2 3,-0.1 0.572 100.0 42.4 -69.2 -11.9 15.9 52.9 7.8 27 102 A F G < S+ 0 0 97 -3,-1.7 7,-0.6 -4,-0.1 -1,-0.2 0.160 90.5 89.3-118.7 20.2 18.9 51.4 6.0 28 103 A G < + 0 0 0 -3,-1.2 -2,-0.1 7,-0.1 -1,-0.1 0.193 50.1 137.6-105.3 17.4 19.2 53.8 3.0 29 104 A E > - 0 0 58 -3,-0.1 3,-1.7 1,-0.1 5,-0.3 -0.286 64.6-119.4 -57.9 147.5 21.6 56.5 4.4 30 105 A A T 3 S+ 0 0 72 1,-0.3 -1,-0.1 3,-0.1 360,-0.0 0.756 117.4 47.2 -59.6 -28.6 24.3 57.8 2.0 31 106 A R T 3 S+ 0 0 234 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.374 99.6 87.3 -90.7 -3.4 26.9 56.5 4.6 32 107 A G S < S- 0 0 17 -3,-1.7 -4,-0.1 2,-0.1 -5,-0.1 -0.294 76.5-129.9 -86.8-174.4 25.2 53.1 5.0 33 108 A N + 0 0 140 -2,-0.1 2,-0.2 -6,-0.1 -5,-0.1 -0.034 66.3 103.5-127.7 26.1 25.8 50.0 2.9 34 109 A S - 0 0 47 -7,-0.6 390,-0.1 -5,-0.3 -2,-0.1 -0.660 54.9-147.4-113.0 170.8 22.3 48.9 1.9 35 110 A A + 0 0 10 -2,-0.2 56,-2.0 388,-0.1 2,-0.3 -0.612 19.1 179.5-136.7 66.5 20.1 49.1 -1.1 36 111 A P B -E 90 0B 0 0, 0.0 26,-2.0 0, 0.0 54,-0.3 -0.567 34.2-116.0 -61.6 133.5 16.4 49.4 -0.2 37 112 A L E -F 61 0C 2 52,-2.1 2,-0.5 -2,-0.3 24,-0.3 -0.472 20.0-119.9 -73.2 142.8 14.2 49.6 -3.4 38 113 A I E + 0 0 0 22,-3.0 20,-2.1 -2,-0.1 21,-0.4 -0.773 54.3 154.3 -82.1 123.8 12.3 52.8 -4.0 39 114 A I E -F 57 0C 10 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.854 29.4-173.0-141.7 172.8 8.7 51.7 -4.1 40 115 A R E +F 56 0C 16 16,-1.3 16,-2.5 -2,-0.3 325,-0.1 -0.881 64.9 46.8-159.5 176.5 5.1 52.7 -3.6 41 116 A E E + 0 0 9 -2,-0.3 62,-0.1 14,-0.2 16,-0.1 0.871 69.8 179.7 46.2 52.7 1.7 50.9 -3.5 42 117 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.393 6.0 165.0 -69.8 154.4 2.8 47.9 -1.3 43 118 A F E -F 54 0C 0 11,-1.7 11,-2.6 108,-0.1 2,-0.3 -0.938 24.9-133.4-158.6 169.9 0.3 45.2 -0.4 44 119 A I E -F 53 0C 0 -2,-0.3 108,-0.5 9,-0.2 2,-0.3 -0.970 16.5-179.9-131.8 147.5 0.5 41.7 1.1 45 120 A A E -F 52 0C 6 7,-1.6 7,-2.6 -2,-0.3 2,-0.3 -0.980 14.5-153.3-143.5 141.2 -1.1 38.4 0.1 46 121 A b E -F 51 0C 14 292,-0.4 61,-0.5 -2,-0.3 5,-0.3 -0.872 8.7-165.4-119.8 147.8 -0.7 35.1 1.9 47 122 A G - 0 0 6 3,-2.8 293,-0.5 -2,-0.3 3,-0.0 -0.433 55.5 -73.5-106.6-164.8 -0.8 31.5 0.8 48 123 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.779 128.0 21.4 -64.8 -25.8 -1.0 28.5 3.4 49 124 A K S S+ 0 0 186 1,-0.3 2,-0.3 290,-0.0 290,-0.0 0.558 124.7 20.0-119.6 -11.4 2.6 28.8 4.5 50 125 A E - 0 0 70 -3,-0.0 -3,-2.8 2,-0.0 2,-0.3 -0.989 55.9-137.7-160.0 150.7 4.0 32.2 3.7 51 126 A b E -F 46 0C 15 -2,-0.3 34,-2.3 -5,-0.3 2,-0.4 -0.866 18.3-147.6-109.8 151.0 3.0 35.8 2.9 52 127 A K E -FG 45 84C 28 -7,-2.6 -7,-1.6 -2,-0.3 2,-0.7 -0.970 6.9-142.7-120.2 138.1 4.6 37.9 0.2 53 128 A H E -FG 44 83C 5 30,-2.7 30,-1.5 -2,-0.4 -9,-0.2 -0.937 28.2-170.4-101.9 110.1 5.1 41.7 0.6 54 129 A F E +FG 43 82C 0 -11,-2.6 -11,-1.7 -2,-0.7 2,-0.3 -0.566 13.3 157.5 -99.3 161.8 4.5 43.2 -2.9 55 130 A A E - G 0 81C 4 26,-1.4 26,-2.6 -13,-0.3 2,-0.7 -0.950 42.8-105.2-170.5 165.9 5.1 46.7 -4.3 56 131 A L E -FG 40 80C 0 -16,-2.5 -16,-1.3 -2,-0.3 24,-0.2 -0.928 40.1-158.8-104.2 114.3 5.7 48.7 -7.5 57 132 A T E -FG 39 79C 0 22,-2.7 22,-1.3 -2,-0.7 -18,-0.3 -0.563 25.0-140.1 -86.3 159.4 9.3 49.8 -7.6 58 133 A H E - 0 0 8 -20,-2.1 -19,-0.1 2,-0.3 20,-0.1 0.224 51.6-111.3 -94.9 8.3 10.7 52.6 -9.7 59 134 A Y E S+ 0 0 0 -21,-0.4 2,-0.3 1,-0.3 -20,-0.1 0.888 86.4 107.3 62.6 44.8 13.7 50.2 -10.4 60 135 A A E - 0 0 0 -22,-0.4 -22,-3.0 358,-0.1 -2,-0.3 -0.972 56.0-147.4-149.7 149.0 15.9 52.4 -8.3 61 136 A A E -F 37 0C 5 356,-0.3 5,-0.3 -2,-0.3 -24,-0.2 -0.805 27.8 -92.1-119.3 161.6 17.5 52.0 -4.8 62 137 A Q S S+ 0 0 6 -26,-2.0 2,-0.1 -2,-0.3 -33,-0.1 -0.981 110.9 39.4-111.9 126.4 18.4 54.5 -2.0 63 138 A P S S+ 0 0 7 0, 0.0 361,-0.4 0, 0.0 2,-0.3 0.580 102.0 108.1 -74.3 151.1 21.2 55.7 -2.0 64 139 A G S S- 0 0 0 359,-0.1 3,-0.2 -2,-0.1 354,-0.1 -0.974 73.0-104.2-169.1-172.1 21.4 56.1 -5.7 65 140 A G S S+ 0 0 24 -2,-0.3 3,-0.2 352,-0.2 -3,-0.1 0.245 95.6 74.7-116.1 12.3 21.3 58.4 -8.8 66 141 A Y + 0 0 24 -5,-0.3 -1,-0.2 1,-0.1 4,-0.1 -0.101 50.7 119.3-119.0 36.2 17.8 57.9 -10.2 67 142 A Y > + 0 0 36 -3,-0.2 3,-2.4 2,-0.1 2,-0.2 0.859 49.1 95.2 -69.7 -32.8 15.6 59.8 -7.7 68 143 A N T 3 S+ 0 0 149 1,-0.3 292,-0.1 -3,-0.2 294,-0.1 -0.431 92.5 22.9 -67.7 119.7 14.3 62.2 -10.4 69 144 A G T > S+ 0 0 31 290,-0.3 3,-1.8 -2,-0.2 -1,-0.3 0.195 84.5 114.5 109.8 -8.6 11.0 60.8 -11.5 70 145 A T T < S+ 0 0 5 -3,-2.4 -2,-0.1 1,-0.3 -3,-0.1 0.579 73.6 59.2 -75.2 -0.2 10.2 58.6 -8.5 71 146 A R T 3 S+ 0 0 108 -4,-0.2 2,-0.3 288,-0.1 -1,-0.3 0.344 86.3 97.8-102.5 5.8 7.1 60.8 -7.7 72 147 A E < - 0 0 117 -3,-1.8 3,-0.1 1,-0.1 0, 0.0 -0.739 67.5-146.2 -90.8 141.6 5.6 60.0 -11.1 73 148 A D S S+ 0 0 81 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.911 74.2 31.8 -75.3 -44.5 3.0 57.2 -11.1 74 149 A R + 0 0 69 3,-0.0 2,-0.3 44,-0.0 -1,-0.1 -0.923 64.5 131.0-127.2 140.6 3.5 55.5 -14.5 75 150 A N - 0 0 34 -2,-0.4 3,-0.3 -3,-0.1 44,-0.1 -0.950 63.7 -89.7-170.1 174.5 6.6 55.0 -16.7 76 151 A K S S+ 0 0 63 -2,-0.3 698,-0.2 1,-0.2 -2,-0.0 0.552 116.1 54.0 -77.2 -8.4 8.5 52.3 -18.6 77 152 A L S S+ 0 0 21 696,-0.1 -1,-0.2 22,-0.1 335,-0.1 0.741 75.7 111.2 -99.1 -27.1 10.7 51.2 -15.7 78 153 A R - 0 0 5 -3,-0.3 22,-2.0 -20,-0.1 2,-0.3 -0.086 44.1-179.5 -56.1 140.5 8.1 50.4 -12.9 79 154 A H E -GH 57 99C 0 -22,-1.3 -22,-2.7 20,-0.3 2,-0.5 -0.995 33.7-113.0-144.3 149.0 7.8 46.7 -11.9 80 155 A L E +GH 56 98C 0 18,-2.0 17,-2.9 -2,-0.3 18,-0.8 -0.729 46.3 173.1 -79.8 123.7 5.8 44.5 -9.5 81 156 A I E -GH 55 96C 2 -26,-2.6 -26,-1.4 -2,-0.5 2,-0.3 -0.763 10.3-174.8-124.4 170.0 8.3 43.1 -7.0 82 157 A S E -GH 54 95C 2 13,-1.3 13,-2.1 -2,-0.2 2,-0.3 -0.961 12.8-169.9-160.0 159.4 8.0 41.0 -3.8 83 158 A V E -G 53 0C 7 -30,-1.5 -30,-2.7 -2,-0.3 2,-0.2 -0.841 48.8 -84.6-134.5 164.9 10.0 39.6 -0.9 84 159 A K E > -G 52 0C 119 -2,-0.3 3,-2.2 -32,-0.2 -32,-0.3 -0.593 63.1 -92.3 -66.7 136.4 8.7 37.1 1.7 85 160 A L T 3 S+ 0 0 34 -34,-2.3 -34,-0.2 1,-0.3 -1,-0.1 -0.337 116.8 35.8 -57.6 127.0 7.0 39.1 4.5 86 161 A G T 3 S+ 0 0 45 1,-0.5 2,-0.3 -2,-0.1 -1,-0.3 0.165 95.0 102.8 110.6 -18.3 9.5 39.9 7.1 87 162 A K S < S- 0 0 104 -3,-2.2 -1,-0.5 -65,-0.0 -4,-0.1 -0.698 80.5-111.6 -92.9 151.7 12.5 40.4 4.7 88 163 A I - 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