==== 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 3I1L . 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) . 42870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 19.9 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 . 19 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 . 108 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 2 3 5 1 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 . 6 6 2 4 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 3 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 . 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 0 232 0, 0.0 341,-0.2 0, 0.0 340,-0.2 0.000 360.0 360.0 360.0 125.4 -5.0 56.0 8.8 2 26 A P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 341,-0.2 -0.369 360.0-138.0 -72.8 133.1 -4.0 52.4 9.4 3 27 A I B -a 343 0A 60 339,-1.7 341,-2.4 -2,-0.1 342,-0.4 -0.663 8.0-132.2 -92.0 140.9 -6.8 49.8 9.7 4 28 A T - 0 0 94 -2,-0.3 2,-0.1 339,-0.2 332,-0.1 -0.795 27.9-120.0 -86.9 127.9 -7.0 47.0 12.2 5 29 A P - 0 0 7 0, 0.0 2,-0.8 0, 0.0 332,-0.2 -0.468 23.0-122.0 -66.5 139.0 -7.8 43.6 10.7 6 30 A H B -C 336 0B 60 330,-2.6 330,-2.1 -2,-0.1 2,-0.3 -0.774 28.7-122.6 -86.6 111.7 -11.0 42.0 12.1 7 31 A Y S S+ 0 0 87 -2,-0.8 328,-0.2 328,-0.3 316,-0.1 -0.348 74.7 46.4 -62.2 116.0 -10.0 38.6 13.5 8 32 A G S S- 0 0 0 -2,-0.3 324,-0.3 324,-0.3 328,-0.2 -0.834 95.7 -32.0 139.5-178.5 -12.1 35.9 11.9 9 33 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 327,-0.2 -0.289 55.5 175.7 -73.4 154.0 -13.2 34.7 8.4 10 34 A G - 0 0 0 325,-0.1 2,-0.3 314,-0.1 314,-0.2 -0.858 19.1-142.0-141.1 176.4 -13.9 37.1 5.5 11 35 A H B -f 327 0C 9 315,-0.6 317,-3.0 312,-0.4 319,-0.1 -0.984 8.2-166.2-145.6 142.8 -14.8 37.2 1.8 12 36 A I S S+ 0 0 57 -2,-0.3 -1,-0.1 315,-0.2 315,-0.1 0.661 78.8 33.1 -96.2 -21.9 -13.7 39.4 -1.0 13 37 A T S S- 0 0 54 2,-0.0 -1,-0.2 1,-0.0 63,-0.1 -0.968 83.6-110.4-137.0 152.1 -16.4 38.4 -3.6 14 38 A P S S+ 0 0 99 0, 0.0 2,-1.6 0, 0.0 -1,-0.0 0.667 100.4 88.0 -49.6 -18.8 -20.1 37.4 -3.4 15 39 A D + 0 0 55 59,-0.0 60,-1.5 2,-0.0 61,-1.4 -0.476 62.0 113.1 -91.6 65.3 -18.9 33.9 -4.5 16 40 A W E -g 76 0D 10 -2,-1.6 2,-0.3 58,-0.2 61,-0.2 -0.906 39.9-170.0-127.2 158.4 -18.2 32.3 -1.1 17 41 A C E -g 77 0D 1 59,-2.2 61,-2.3 -2,-0.3 2,-0.3 -0.961 9.3-143.4-142.5 163.5 -19.7 29.5 0.9 18 42 A G E -gh 78 45D 0 26,-1.8 28,-1.2 -2,-0.3 2,-0.4 -0.807 2.5-151.8-120.9 163.9 -19.6 27.9 4.3 19 43 A F E +gh 79 46D 0 59,-2.3 61,-3.1 -2,-0.3 2,-0.2 -0.995 38.2 121.4-134.8 131.2 -19.8 24.4 5.7 20 44 A G E -gh 80 47D 0 26,-1.8 28,-1.1 -2,-0.4 61,-0.2 -0.836 44.5-107.3-163.2-159.7 -21.1 23.7 9.2 21 45 A D S > S- 0 0 2 59,-0.7 3,-2.2 26,-0.3 28,-0.4 -0.233 72.3 -39.7-129.4-150.3 -23.3 22.3 11.9 22 46 A A G > S+ 0 0 3 26,-0.4 3,-1.4 1,-0.3 27,-0.2 0.792 127.5 66.0 -56.6 -30.1 -26.1 23.4 14.3 23 47 A R G 3 S+ 0 0 2 1,-0.3 13,-2.7 12,-0.1 14,-0.5 0.400 114.0 31.4 -77.3 2.4 -24.2 26.7 14.9 24 48 A S G < S+ 0 0 3 -3,-2.2 2,-0.6 11,-0.2 -1,-0.3 0.040 95.7 107.7-142.1 24.4 -24.8 27.5 11.3 25 49 A D X - 0 0 25 -3,-1.4 3,-1.1 9,-0.1 6,-0.1 -0.889 40.8-176.1-114.1 104.0 -28.2 25.8 10.8 26 50 A a T 3 S+ 0 0 52 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.351 84.1 67.7 -77.4 5.8 -31.3 28.0 10.5 27 51 A G T 3 S+ 0 0 63 20,-0.1 -1,-0.2 -5,-0.0 2,-0.1 0.648 74.8 102.0 -96.5 -22.7 -33.4 24.9 10.3 28 52 A N S X S- 0 0 28 -3,-1.1 3,-1.5 -6,-0.2 6,-0.1 -0.393 81.8-125.1 -57.6 138.6 -32.6 24.0 14.0 29 53 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.688 104.4 65.6 -66.8 -19.7 -35.5 24.9 16.2 30 54 A H T >> S+ 0 0 73 2,-0.1 3,-1.7 3,-0.0 4,-0.8 0.399 84.3 169.8 -84.2 2.7 -33.4 27.1 18.5 31 55 A T T <4 + 0 0 35 -3,-1.5 -5,-0.1 1,-0.3 0, 0.0 -0.344 58.3 12.4 -62.0 135.7 -32.7 29.6 15.8 32 56 A P T >4 S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 -0.957 125.1 58.8 -94.9 12.0 -31.4 32.3 16.1 33 57 A K T <4 S+ 0 0 128 -3,-1.7 275,-0.6 1,-0.2 -2,-0.2 0.827 105.7 49.8 -69.9 -32.4 -30.2 31.6 19.7 34 58 A S T 3< S+ 0 0 1 -4,-0.8 279,-0.3 273,-0.2 -1,-0.2 0.427 90.0 109.0 -86.4 -1.0 -28.1 28.5 18.7 35 59 A L < - 0 0 3 -3,-0.8 -11,-0.2 -5,-0.2 -12,-0.1 -0.446 45.8-172.7 -77.5 149.0 -26.3 30.3 15.9 36 60 A D S S+ 0 0 0 -13,-2.7 285,-0.4 -2,-0.1 -12,-0.1 0.243 76.6 58.5-111.8 1.9 -22.6 31.3 16.0 37 61 A I S S- 0 0 9 -14,-0.5 2,-0.2 283,-0.1 285,-0.1 -0.784 102.1 -79.8-121.5 165.5 -23.1 33.2 12.7 38 62 A P > - 0 0 12 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.497 40.5-128.1 -62.7 139.5 -25.3 36.1 11.5 39 63 A Q G > S+ 0 0 100 1,-0.3 3,-1.3 2,-0.2 -13,-0.1 0.828 106.0 59.5 -61.6 -38.4 -28.7 34.8 10.6 40 64 A E G 3 S+ 0 0 132 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.470 100.3 60.7 -71.5 -0.1 -28.8 36.4 7.1 41 65 A L G X> S+ 0 0 17 -3,-1.6 3,-2.4 1,-0.1 4,-0.9 0.562 74.5 92.3-102.8 -12.2 -25.7 34.3 6.3 42 66 A a G X4 S+ 0 0 13 -3,-1.3 3,-1.1 -4,-0.4 -2,-0.1 0.858 79.5 61.2 -44.4 -44.3 -27.4 30.9 6.9 43 67 A P G 34 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.666 101.1 54.6 -63.9 -14.7 -28.3 30.7 3.2 44 68 A K G <4 S+ 0 0 89 -3,-2.4 -26,-1.8 -27,-0.1 2,-0.2 0.710 100.2 75.2 -86.4 -23.9 -24.6 30.8 2.4 45 69 A F E << -h 18 0D 16 -3,-1.1 2,-0.6 -4,-0.9 -26,-0.2 -0.571 67.0-148.3 -89.3 150.5 -23.8 27.8 4.7 46 70 A S E +h 19 0D 12 -28,-1.2 -26,-1.8 -2,-0.2 2,-0.3 -0.935 45.3 150.7-112.7 102.7 -24.5 24.1 4.1 47 71 A S E -h 20 0D 15 -2,-0.6 2,-0.4 -28,-0.2 -26,-0.3 -0.983 33.2-171.0-143.5 143.6 -25.2 22.8 7.6 48 72 A R > - 0 0 120 -28,-1.1 3,-1.8 -2,-0.3 -26,-0.4 -0.992 35.7-108.7-135.7 132.3 -27.0 20.2 9.6 49 73 A T T 3 S+ 0 0 45 -2,-0.4 3,-0.1 -28,-0.4 -28,-0.0 -0.289 103.4 11.5 -50.8 125.2 -27.4 20.0 13.4 50 74 A G T 3 S+ 0 0 12 1,-0.3 16,-0.6 -2,-0.0 -1,-0.3 0.282 109.4 104.3 88.9 -10.6 -25.4 17.1 14.9 51 75 A S < - 0 0 0 -3,-1.8 31,-0.4 14,-0.1 33,-0.3 -0.393 44.0-175.5 -97.6 174.8 -23.5 16.5 11.7 52 76 A S > - 0 0 0 14,-0.3 4,-2.6 29,-0.1 16,-0.2 -0.942 41.4-110.5-160.0 156.8 -20.0 17.1 10.4 53 77 A M H > S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.2 15,-0.0 0.792 120.0 54.3 -63.2 -25.9 -18.2 16.6 7.1 54 78 A F H > S+ 0 0 0 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.901 109.8 44.4 -70.8 -46.3 -16.1 13.9 8.8 55 79 A I H >> S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 3,-1.3 0.970 112.0 53.0 -59.9 -52.3 -19.2 12.0 10.0 56 80 A S H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.740 103.0 58.7 -60.4 -28.5 -20.9 12.3 6.7 57 81 A M H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.871 121.5 24.0 -60.0 -41.3 -17.8 10.9 4.9 58 82 A H H << S+ 0 0 0 -3,-1.3 94,-2.1 -4,-1.1 95,-1.8 0.771 116.6 46.2-102.5 -32.4 -18.1 7.7 7.0 59 83 A W < - 0 0 0 -4,-3.0 2,-0.2 92,-0.2 -1,-0.1 -0.846 52.8-146.0-124.5 150.1 -21.7 7.1 8.2 60 84 A N - 0 0 66 -2,-0.3 5,-0.2 1,-0.2 92,-0.1 -0.589 59.9 -65.5 -88.6 168.4 -25.3 7.1 7.2 61 85 A N S S+ 0 0 108 -2,-0.2 5,-0.2 5,-0.1 -1,-0.2 -0.260 95.6 71.0 -46.1 137.8 -28.0 8.2 9.7 62 86 A G B > +K 65 0E 34 3,-1.9 3,-2.3 -3,-0.1 87,-0.1 -0.450 64.6 50.0 129.3 160.7 -28.2 5.7 12.6 63 87 A S T 3 S- 0 0 73 1,-0.3 86,-0.3 -2,-0.2 479,-0.1 0.767 130.7 -49.0 46.5 36.0 -26.5 4.4 15.7 64 88 A G T 3 S+ 0 0 23 1,-0.3 2,-0.5 477,-0.1 -1,-0.3 0.254 111.8 116.6 94.3 -12.2 -26.0 7.9 17.0 65 89 A F B < -K 62 0E 3 -3,-2.3 -3,-1.9 -5,-0.2 2,-0.7 -0.792 50.2-156.1 -90.0 131.5 -24.5 9.4 13.9 66 90 A D - 0 0 72 -16,-0.6 -14,-0.3 -2,-0.5 2,-0.2 -0.934 18.7-162.2-104.0 107.8 -26.4 12.2 12.2 67 91 A A - 0 0 16 -2,-0.7 2,-0.3 -16,-0.1 -7,-0.1 -0.509 6.2-166.3 -90.1 159.1 -25.3 12.3 8.5 68 92 A F - 0 0 53 -16,-0.2 2,-2.3 -2,-0.2 -16,-0.1 -0.976 29.0-126.4-151.2 134.2 -25.7 15.1 6.0 69 93 A D - 0 0 98 -2,-0.3 -22,-0.1 -22,-0.1 -16,-0.1 -0.433 38.4-163.1 -76.0 65.1 -25.5 15.6 2.3 70 94 A Y + 0 0 0 -2,-2.3 54,-2.9 -18,-0.1 2,-0.3 -0.258 19.1 162.2 -47.7 129.8 -23.0 18.5 2.5 71 95 A S E +L 123 0F 53 52,-0.2 2,-0.3 185,-0.0 52,-0.2 -0.886 2.4 140.0-158.1 122.4 -22.9 20.4 -0.8 72 96 A N E -L 122 0F 37 50,-2.3 50,-2.9 -2,-0.3 2,-0.4 -0.988 29.9-143.9-157.9 170.1 -21.7 23.9 -1.7 73 97 A b E +L 121 0F 36 -2,-0.3 48,-0.3 48,-0.3 2,-0.2 -1.000 32.7 130.5-139.1 135.9 -19.8 26.1 -4.1 74 98 A G - 0 0 0 46,-2.3 -58,-0.2 -2,-0.4 45,-0.1 -0.791 51.3-137.3 179.0 137.6 -17.5 29.0 -3.6 75 99 A V S S+ 0 0 43 -60,-1.5 2,-0.4 -2,-0.2 -59,-0.2 0.903 106.9 44.4 -60.7 -41.7 -14.1 30.4 -4.6 76 100 A E E S-g 16 0D 1 -61,-1.4 -59,-2.2 -63,-0.1 2,-0.4 -0.884 80.8-166.1-107.8 136.1 -13.8 31.3 -1.0 77 101 A K E -g 17 0D 1 -2,-0.4 191,-2.3 189,-0.3 2,-0.5 -0.964 15.1-161.2-132.3 139.2 -14.8 28.8 1.7 78 102 A V E -gi 18 268D 0 -61,-2.3 -59,-2.3 -2,-0.4 2,-0.6 -0.955 12.2-163.5-121.3 111.3 -15.5 29.0 5.5 79 103 A F E +gi 19 269D 0 189,-4.0 191,-2.7 -2,-0.5 -59,-0.2 -0.839 19.5 160.3 -97.7 123.1 -15.4 25.8 7.4 80 104 A Y E +g 20 0D 0 -61,-3.1 -59,-0.7 -2,-0.6 2,-0.3 -0.583 40.8 80.8-143.0 77.9 -16.9 25.7 10.8 81 105 A E + 0 0 1 189,-0.3 191,-0.2 -61,-0.2 -29,-0.1 -0.962 29.5 102.0-164.2 168.9 -17.7 22.2 12.0 82 106 A G > + 0 0 0 -31,-0.4 3,-2.8 -2,-0.3 191,-0.1 -0.100 55.0 101.1 141.5 -37.5 -16.1 19.1 13.5 83 107 A V T 3 S+ 0 0 1 1,-0.3 3,-0.4 190,-0.1 5,-0.1 0.715 70.1 73.6 -51.7 -25.3 -17.1 19.1 17.2 84 108 A N T 3 S+ 0 0 21 -33,-0.3 -1,-0.3 1,-0.3 2,-0.3 0.615 100.7 47.5 -73.1 -10.8 -19.8 16.5 16.6 85 109 A F S < S+ 0 0 7 -3,-2.8 -1,-0.3 -34,-0.1 -34,-0.0 -0.733 85.9 128.5-120.5 84.5 -16.9 14.1 16.3 86 110 A S S > S- 0 0 4 -3,-0.4 3,-1.9 -2,-0.3 5,-0.3 -0.684 79.8 -90.0-120.3 174.1 -14.8 14.9 19.3 87 111 A P G > S+ 0 0 16 0, 0.0 3,-2.6 0, 0.0 193,-0.2 0.819 121.0 76.2 -55.4 -27.7 -13.3 12.6 22.0 88 112 A H G 3 S+ 0 0 57 191,-1.8 192,-0.1 1,-0.3 -4,-0.1 0.805 79.7 69.3 -48.9 -33.6 -16.6 13.4 23.8 89 113 A R G < S- 0 0 61 -3,-1.9 -1,-0.3 190,-0.2 -5,-0.0 0.725 92.4-149.2 -61.1 -19.4 -18.2 10.9 21.4 90 114 A N < + 0 0 79 -3,-2.6 2,-0.2 -4,-0.3 -2,-0.1 0.822 39.3 159.2 51.0 36.1 -16.3 8.2 23.3 91 115 A Y + 0 0 13 -5,-0.3 2,-0.3 -4,-0.1 10,-0.2 -0.577 14.6 155.7 -89.3 148.8 -16.2 6.2 20.0 92 116 A T - 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0 0 0 -3,-1.5 141,-0.2 141,-0.3 146,-0.2 -0.669 54.0-163.7-113.0 166.2 -11.8 23.4 -6.0 120 144 A R S S+ 0 0 86 1,-0.3 -46,-2.3 -2,-0.2 2,-0.4 0.662 79.6 42.7-112.3 -47.9 -15.0 25.5 -6.2 121 145 A b E -L 73 0F 7 -48,-0.3 138,-1.1 58,-0.2 2,-0.4 -0.809 59.0-171.0-101.3 142.8 -17.8 22.9 -5.5 122 146 A I E +LM 72 258F 0 -50,-2.9 -50,-2.3 -2,-0.4 2,-0.4 -0.988 13.4 174.4-129.0 120.5 -17.7 20.2 -2.8 123 147 A K E -LM 71 257F 38 134,-2.9 134,-3.1 -2,-0.4 2,-0.3 -0.978 27.5-140.8-134.5 118.3 -20.5 17.7 -3.0 124 148 A L E - M 0 256F 9 -54,-2.9 2,-0.3 -2,-0.4 132,-0.2 -0.651 35.8-179.6 -70.2 132.5 -20.9 14.5 -0.9 125 149 A I E - M 0 255F 9 130,-2.5 130,-1.7 -2,-0.3 2,-0.5 -0.956 29.3-118.3-136.4 153.7 -22.3 11.8 -3.3 126 150 A N E - M 0 254F 100 -2,-0.3 128,-0.3 128,-0.2 2,-0.2 -0.809 28.4-139.7 -92.1 130.6 -23.4 8.2 -3.1 127 151 A L - 0 0 14 126,-2.7 44,-0.1 -2,-0.5 42,-0.0 -0.587 25.3-102.8 -84.1 148.9 -21.4 5.7 -5.3 128 152 A D - 0 0 114 42,-0.4 42,-0.5 -2,-0.2 -1,-0.1 -0.420 48.4 -95.7 -63.6 144.2 -23.1 2.9 -7.2 129 153 A P - 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