==== 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 26-JUN-09 3I1K . COMPND 2 MOLECULE: HEMAGGLUTININ-ESTERASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE TOROVIRUS; . AUTHOR Q.H.ZENG,E.G.HUIZINGA . 1086 3 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 640 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 . 0 0.0 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 . 91 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 3 3 3 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 . 9 6 15 6 3 3 3 1 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 . 6 6 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 25 A K 0 0 241 0, 0.0 341,-0.2 0, 0.0 340,-0.1 0.000 360.0 360.0 360.0 131.8 -5.1 56.5 9.1 2 26 A P - 0 0 40 0, 0.0 341,-0.3 0, 0.0 2,-0.2 -0.294 360.0-128.9 -67.3 142.6 -4.0 52.8 9.3 3 27 A I B -a 343 0A 59 339,-2.7 341,-2.9 335,-0.1 342,-0.4 -0.526 8.3-136.7 -93.7 152.0 -6.7 50.2 9.4 4 28 A T - 0 0 95 339,-0.2 332,-0.1 -2,-0.2 339,-0.0 -0.946 25.2-120.1-110.1 121.6 -7.0 47.4 12.0 5 29 A P - 0 0 9 0, 0.0 2,-0.9 0, 0.0 332,-0.2 -0.290 21.1-122.7 -57.9 140.0 -7.9 43.9 10.6 6 30 A H B -C 336 0B 57 330,-2.7 330,-1.9 2,-0.1 2,-0.2 -0.806 29.5-126.5 -82.6 109.0 -11.1 42.4 11.9 7 31 A Y S S+ 0 0 85 -2,-0.9 328,-0.2 328,-0.2 316,-0.2 -0.367 73.8 54.2 -60.9 121.3 -10.0 39.1 13.4 8 32 A G S S- 0 0 0 324,-0.3 324,-0.3 -2,-0.2 328,-0.2 -0.731 94.6 -42.4 138.5 172.8 -12.2 36.4 11.9 9 33 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 327,-0.2 -0.103 56.9 171.6 -66.8 168.1 -13.2 35.1 8.4 10 34 A G - 0 0 1 325,-0.1 2,-0.3 314,-0.1 314,-0.2 -0.956 23.2-131.7-162.5 174.1 -14.1 37.3 5.5 11 35 A H B -f 327 0C 10 315,-0.5 317,-2.3 312,-0.4 319,-0.1 -0.994 6.9-166.4-145.0 140.9 -14.9 37.6 1.8 12 36 A I S S+ 0 0 52 -2,-0.3 -1,-0.1 315,-0.2 315,-0.1 0.574 81.4 23.1 -98.6 -14.3 -13.6 39.8 -1.1 13 37 A T S S- 0 0 62 2,-0.1 315,-0.1 1,-0.0 63,-0.1 -0.924 84.8-105.4-140.6 169.2 -16.4 38.9 -3.6 14 38 A P S S+ 0 0 104 0, 0.0 2,-1.9 0, 0.0 -1,-0.0 0.634 97.5 91.5 -70.7 -12.4 -19.9 37.5 -3.5 15 39 A D + 0 0 48 59,-0.1 61,-1.7 2,-0.0 60,-1.2 -0.536 63.2 114.5 -84.1 76.6 -18.8 34.1 -4.7 16 40 A W E -g 76 0D 11 -2,-1.9 2,-0.3 58,-0.2 61,-0.2 -0.961 40.0-172.7-140.7 156.2 -18.2 32.6 -1.2 17 41 A C E -g 77 0D 1 59,-2.2 61,-2.3 -2,-0.3 2,-0.3 -0.956 10.5-140.4-147.9 167.2 -19.8 29.8 0.8 18 42 A G E -gh 78 45D 0 26,-2.3 28,-2.1 -2,-0.3 2,-0.4 -0.895 1.2-153.7-130.4 159.8 -19.8 28.1 4.1 19 43 A F E +gh 79 46D 1 59,-1.8 61,-2.9 -2,-0.3 2,-0.2 -1.000 37.6 130.3-132.3 131.4 -20.0 24.6 5.6 20 44 A G E -gh 80 47D 0 26,-2.3 28,-1.1 -2,-0.4 61,-0.2 -0.759 43.1-113.7-158.2-166.1 -21.4 24.0 9.0 21 45 A D S > S- 0 0 2 59,-0.6 3,-2.3 26,-0.3 28,-0.4 -0.411 71.9 -44.1-128.9-156.4 -23.5 22.5 11.8 22 46 A A G > S+ 0 0 3 26,-0.5 3,-1.6 1,-0.3 6,-0.2 0.795 126.4 68.5 -47.2 -34.1 -26.4 23.7 14.2 23 47 A R G 3 S+ 0 0 1 1,-0.3 13,-3.1 12,-0.1 14,-0.9 0.500 114.3 26.5 -75.1 -2.9 -24.5 26.9 14.8 24 48 A S G < S+ 0 0 2 -3,-2.3 2,-0.7 11,-0.2 -1,-0.3 0.060 97.9 107.1-137.8 25.5 -25.1 28.0 11.2 25 49 A D X - 0 0 24 -3,-1.6 3,-1.6 9,-0.1 6,-0.1 -0.901 44.1-172.8-112.6 101.6 -28.3 26.0 10.6 26 50 A a T 3 S+ 0 0 45 -2,-0.7 5,-0.2 1,-0.3 -1,-0.1 0.664 81.5 74.7 -70.0 -15.0 -31.4 28.3 10.5 27 51 A G T 3 S+ 0 0 67 -3,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.633 72.5 107.8 -67.3 -13.7 -33.5 25.1 10.3 28 52 A N S X S- 0 0 28 -3,-1.6 3,-1.7 -6,-0.2 6,-0.1 -0.462 76.8-130.6 -69.1 138.5 -32.8 24.6 14.1 29 53 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.748 105.6 57.1 -63.0 -24.9 -35.8 25.3 16.3 30 54 A H T >> S+ 0 0 79 2,-0.1 3,-1.1 3,-0.0 4,-1.0 0.364 88.4 166.9 -88.6 5.7 -33.7 27.6 18.6 31 55 A T T <4 + 0 0 29 -3,-1.7 -5,-0.0 1,-0.3 -8,-0.0 -0.426 57.8 18.7 -58.7 133.5 -32.8 29.8 15.7 32 56 A P T >4 S+ 0 0 67 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.995 124.6 54.6 -90.9 -3.4 -31.5 32.6 16.0 33 57 A K T <4 S+ 0 0 127 -3,-1.1 275,-0.8 1,-0.3 -2,-0.2 0.840 108.2 52.7 -61.6 -31.4 -30.4 32.0 19.6 34 58 A S T 3< S+ 0 0 0 -4,-1.0 279,-0.3 273,-0.2 -1,-0.3 0.452 91.1 104.0 -81.9 -1.5 -28.5 28.8 18.6 35 59 A L < - 0 0 5 -3,-1.7 -11,-0.2 -5,-0.2 -12,-0.1 -0.568 45.8-174.6 -84.8 147.0 -26.5 30.6 15.8 36 60 A D S S+ 0 0 0 -13,-3.1 285,-0.3 -2,-0.2 -12,-0.2 0.386 77.9 58.9-107.0 -9.6 -22.9 31.7 15.9 37 61 A I S S- 0 0 9 -14,-0.9 2,-0.1 283,-0.1 281,-0.1 -0.767 103.6 -85.0-108.9 161.2 -23.2 33.4 12.5 38 62 A P > - 0 0 15 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.472 36.9-127.2 -64.2 144.5 -25.6 36.3 11.5 39 63 A Q G > S+ 0 0 93 1,-0.3 3,-1.8 2,-0.2 -13,-0.1 0.838 106.7 64.3 -64.2 -38.2 -29.0 34.9 10.5 40 64 A E G 3 S+ 0 0 131 1,-0.3 -1,-0.3 2,-0.1 4,-0.0 0.734 100.3 56.8 -57.0 -22.8 -29.0 36.8 7.1 41 65 A L G X S+ 0 0 21 -3,-1.4 3,-2.2 1,-0.2 4,-0.4 0.523 75.6 95.2 -88.9 -5.9 -25.9 34.6 6.2 42 66 A a G X S+ 0 0 14 -3,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.886 77.0 62.3 -50.7 -42.5 -27.6 31.2 6.7 43 67 A P G 3 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.642 99.3 57.6 -60.3 -13.2 -28.4 31.0 3.0 44 68 A K G < S+ 0 0 69 -3,-2.2 -26,-2.3 -27,-0.1 2,-0.3 0.589 97.9 75.5 -88.9 -12.6 -24.6 31.0 2.3 45 69 A F E < -h 18 0D 17 -3,-2.1 2,-0.7 -4,-0.4 -26,-0.2 -0.743 65.7-147.9-105.4 144.1 -23.9 27.9 4.5 46 70 A S E +h 19 0D 14 -28,-2.1 -26,-2.3 -2,-0.3 2,-0.3 -0.961 49.5 150.4-103.8 106.0 -24.5 24.2 3.8 47 71 A S E -h 20 0D 13 -2,-0.7 2,-0.3 -28,-0.2 -26,-0.3 -0.985 32.7-172.2-146.2 143.2 -25.2 23.1 7.4 48 72 A R > - 0 0 129 -28,-1.1 3,-2.0 -2,-0.3 -26,-0.5 -0.973 34.1-109.5-143.2 132.1 -27.1 20.6 9.5 49 73 A T T 3 S+ 0 0 46 -28,-0.4 3,-0.1 -2,-0.3 -28,-0.0 -0.264 105.0 13.8 -47.4 128.2 -27.7 20.4 13.3 50 74 A G T 3 S+ 0 0 11 1,-0.3 16,-0.5 15,-0.0 -1,-0.3 0.215 109.4 104.8 87.5 -12.7 -25.7 17.4 14.7 51 75 A S < - 0 0 0 -3,-2.0 33,-0.4 14,-0.1 31,-0.4 -0.351 41.6-177.5-103.1 173.2 -23.6 16.9 11.6 52 76 A S > - 0 0 0 14,-0.3 4,-2.5 29,-0.1 16,-0.3 -0.945 41.5-112.1-156.7 158.9 -20.1 17.4 10.3 53 77 A M H > S+ 0 0 0 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.827 119.0 54.9 -65.4 -27.9 -18.4 16.8 7.0 54 78 A F H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.933 108.9 45.7 -70.3 -43.8 -16.3 14.1 8.7 55 79 A I H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.9 0.953 112.0 51.8 -61.5 -47.2 -19.3 12.2 10.0 56 80 A S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.715 102.1 61.5 -67.9 -23.4 -21.1 12.5 6.6 57 81 A M H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.879 119.9 23.1 -60.7 -41.1 -18.0 11.0 4.9 58 82 A H H << S+ 0 0 0 -4,-1.1 95,-2.2 -3,-0.9 94,-1.9 0.714 115.9 49.9-106.2 -27.9 -18.2 7.8 6.8 59 83 A W < - 0 0 0 -4,-2.5 -1,-0.1 92,-0.2 2,-0.1 -0.924 54.0-145.5-129.3 139.1 -21.8 7.2 8.1 60 84 A N - 0 0 69 -2,-0.4 5,-0.2 1,-0.2 92,-0.1 -0.340 59.6 -64.0 -73.7 173.0 -25.4 7.2 7.0 61 85 A N S S+ 0 0 117 5,-0.1 5,-0.2 -2,-0.1 -1,-0.2 -0.388 95.9 52.6 -57.3 135.0 -28.1 8.3 9.4 62 86 A G B > +K 65 0E 32 3,-2.4 3,-1.8 -3,-0.1 87,-0.1 -0.469 63.3 66.7 127.4 172.1 -28.5 6.2 12.5 63 87 A S T 3 S- 0 0 74 1,-0.3 86,-0.3 -2,-0.2 479,-0.1 0.757 130.8 -46.1 46.0 33.6 -26.8 4.5 15.5 64 88 A G T 3 S+ 0 0 29 1,-0.3 2,-0.5 477,-0.1 -1,-0.3 0.466 112.7 116.4 96.2 3.7 -26.1 8.0 16.9 65 89 A F B < -K 62 0E 5 -3,-1.8 -3,-2.4 -5,-0.2 2,-0.7 -0.919 49.8-156.4-108.5 131.2 -24.9 9.7 13.7 66 90 A D - 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0 0 23 -2,-0.4 56,-0.1 1,-0.1 3,-0.1 -0.948 19.8-170.9-146.5 150.7 -14.0 3.5 19.2 93 117 A c S S- 0 0 0 -2,-0.3 50,-2.6 4,-0.1 49,-1.2 0.784 83.4 -3.2-106.7 -49.8 -14.4 0.6 16.7 94 118 A Y S S- 0 0 20 48,-0.2 3,-0.4 47,-0.2 133,-0.2 -0.042 113.4 -59.6-109.0-131.8 -11.4 -1.5 17.5 95 119 A Q S S+ 0 0 88 131,-2.5 132,-0.2 1,-0.2 5,-0.1 0.197 101.1 104.7-103.1 15.2 -8.8 -0.5 20.2 96 120 A E > - 0 0 16 1,-0.1 4,-1.2 130,-0.1 3,-0.3 0.774 67.3-162.6 -64.9 -25.8 -7.7 2.9 18.6 97 121 A G H > - 0 0 25 -3,-0.4 4,-1.1 1,-0.2 3,-0.3 -0.023 43.2 -47.9 68.2-177.0 -9.7 4.8 21.3 98 122 A S H > S+ 0 0 37 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.796 137.8 54.9 -55.6 -35.4 -10.8 8.4 21.1 99 123 A S H > S+ 0 0 84 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.838 101.0 59.3 -75.6 -31.7 -7.3 9.6 20.1 100 124 A G H X S+ 0 0 15 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.832 107.3 47.7 -58.3 -33.8 -7.3 7.2 17.2 101 125 A W H X S+ 0 0 2 -4,-1.1 4,-2.2 -10,-0.2 -2,-0.2 0.831 106.3 55.5 -81.1 -31.1 -10.4 9.0 16.0 102 126 A V H X S+ 0 0 23 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.911 108.7 50.4 -60.0 -42.9 -8.8 12.4 16.5 103 127 A S H X S+ 0 0 82 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.900 110.5 47.3 -62.4 -44.0 -6.0 11.2 14.2 104 128 A N H X S+ 0 0 6 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.899 111.8 52.8 -59.9 -43.0 -8.5 10.0 11.5 105 129 A K H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.892 107.6 49.1 -59.6 -45.9 -10.2 13.4 11.8 106 130 A V H X S+ 0 0 23 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.918 111.6 51.9 -59.3 -43.1 -7.0 15.3 11.3 107 131 A G H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.940 112.3 44.3 -58.9 -49.3 -6.3 13.2 8.3 108 132 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.960 116.1 44.1 -61.1 -55.2 -9.8 13.9 6.8 109 133 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.869 110.4 56.2 -64.0 -35.6 -9.8 17.6 7.4 110 134 A S H X S+ 0 0 29 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.932 113.6 40.5 -59.1 -46.6 -6.2 18.1 6.2 111 135 A K H X S+ 0 0 62 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.904 114.6 52.4 -68.6 -43.2 -7.1 16.4 2.8 112 136 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.953 112.4 44.5 -57.9 -53.4 -10.5 18.2 2.6 113 137 A Y H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 154,-0.2 0.889 114.8 46.9 -62.3 -46.8 -9.0 21.7 3.1 114 138 A S H < S+ 0 0 36 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.927 116.7 44.0 -65.5 -43.0 -6.1 21.2 0.8 115 139 A M H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.903 109.8 57.5 -61.2 -41.9 -8.3 19.8 -2.0 116 140 A A H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 -1,-0.2 0.774 96.0 63.5 -65.8 -28.6 -11.0 22.5 -1.4 117 141 A S T 3< S+ 0 0 5 -4,-1.4 148,-1.9 1,-0.2 -1,-0.3 0.647 106.3 44.3 -67.7 -19.7 -8.4 25.2 -2.1 118 142 A T T < S+ 0 0 43 -3,-1.7 143,-2.3 -4,-0.3 -1,-0.2 0.299 112.8 65.3 -99.3 4.1 -8.1 23.9 -5.7 119 143 A S < - 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