==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-SEP-13 4C7L . COMPND 2 MOLECULE: HEMAGGLUTININ-ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE HEPATITIS VIRUS; . AUTHOR Q.H.ZENG,E.G.HUIZINGA . 706 9 13 10 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 71 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 2 2 2 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 2 3 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 PARALLEL BRIDGES PER LADDER . 12 5 7 0 3 2 4 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 2 2 4 0 0 0 0 1 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 F 0 0 127 0, 0.0 320,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.5 -44.3 -53.0 10.3 2 26 A N - 0 0 10 318,-0.2 320,-0.3 1,-0.2 319,-0.1 0.869 360.0-178.2 58.5 45.4 -44.0 -49.2 11.0 3 27 A E - 0 0 112 317,-0.1 312,-0.4 1,-0.1 2,-0.2 -0.447 38.5 -95.2 -66.5 145.0 -40.3 -48.8 10.2 4 28 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 310,-0.2 -0.461 39.2-135.6 -66.3 136.7 -39.0 -45.2 10.7 5 29 A L B -A 313 0A 74 308,-3.1 308,-2.4 -2,-0.2 2,-2.0 -0.760 9.9-129.0 -96.6 136.0 -39.1 -43.2 7.4 6 30 A N S S+ 0 0 64 -2,-0.4 2,-0.3 306,-0.2 283,-0.1 -0.427 72.2 104.1 -81.3 66.1 -36.2 -41.0 6.5 7 31 A I S S- 0 0 55 -2,-2.0 2,-0.3 281,-0.1 306,-0.1 -0.939 73.4-108.3-141.4 159.0 -38.3 -37.8 5.9 8 32 A V + 0 0 6 -2,-0.3 2,-0.2 278,-0.1 64,-0.1 -0.714 52.3 150.2 -84.1 142.7 -39.3 -34.5 7.4 9 33 A S - 0 0 3 -2,-0.3 2,-0.3 292,-0.0 295,-0.1 -0.812 35.8-113.1-153.0-168.3 -42.9 -34.4 8.6 10 34 A H - 0 0 1 293,-0.4 295,-1.9 -2,-0.2 5,-0.1 -0.994 7.1-145.7-143.3 150.2 -45.3 -33.0 11.1 11 35 A L S S- 0 0 37 -2,-0.3 2,-0.2 293,-0.2 293,-0.1 0.761 87.4 -12.2 -82.4 -31.4 -47.3 -34.2 14.1 12 36 A N S S- 0 0 71 291,-0.1 58,-0.1 2,-0.1 293,-0.1 -0.748 91.2 -73.7-148.7-163.9 -50.3 -31.9 13.4 13 37 A D S S+ 0 0 101 -2,-0.2 2,-1.8 1,-0.2 290,-0.0 0.499 100.7 96.8 -80.8 -4.2 -51.1 -28.8 11.2 14 38 A D + 0 0 57 54,-0.1 56,-2.1 2,-0.0 55,-0.9 -0.503 60.7 115.1 -88.0 71.3 -49.0 -26.5 13.4 15 39 A W E -d 70 0B 7 -2,-1.8 2,-0.3 54,-0.2 56,-0.2 -0.908 44.6-159.7-134.9 162.6 -45.8 -26.6 11.2 16 40 A F E -d 71 0B 13 54,-2.1 56,-2.7 -2,-0.3 2,-0.5 -0.990 5.4-152.4-148.0 140.2 -43.7 -24.2 9.2 17 41 A L E -de 72 44B 0 26,-2.9 28,-2.5 -2,-0.3 2,-0.4 -0.958 2.8-165.7-119.9 125.2 -41.2 -24.6 6.4 18 42 A F E +de 73 45B 4 54,-2.7 56,-2.7 -2,-0.5 2,-0.3 -0.910 28.0 165.2-104.1 134.4 -38.3 -22.3 5.5 19 43 A G E -de 74 46B 6 26,-2.1 28,-1.2 -2,-0.4 56,-0.1 -0.933 49.6-136.0-148.1 164.9 -36.7 -23.0 2.1 20 44 A D S S+ 0 0 38 54,-0.7 29,-0.7 -2,-0.3 2,-0.3 -0.386 79.5 83.1-117.1 51.7 -34.5 -22.0 -0.9 21 45 A A S S- 0 0 13 27,-0.2 2,-0.6 28,-0.1 27,-0.1 -0.852 87.4 -84.7-141.2 176.7 -36.8 -23.2 -3.6 22 46 A R + 0 0 108 -2,-0.3 25,-0.1 25,-0.2 -2,-0.1 -0.797 36.8 174.3 -93.1 120.8 -39.9 -21.9 -5.6 23 47 A S + 0 0 19 -2,-0.6 17,-1.8 23,-0.3 18,-0.3 0.389 39.9 115.9-104.2 -0.2 -43.2 -22.6 -3.8 24 48 A D - 0 0 70 15,-0.2 2,-0.3 16,-0.1 15,-0.1 -0.262 66.5-111.6 -76.6 157.2 -45.5 -20.8 -6.2 25 49 A a - 0 0 44 10,-0.1 2,-0.9 2,-0.1 -1,-0.1 -0.689 18.3-141.6 -87.4 139.8 -48.3 -22.3 -8.3 26 50 A T 0 0 101 -2,-0.3 8,-0.2 0, 0.0 9,-0.1 -0.743 360.0 360.0-103.8 82.8 -47.9 -22.4 -12.1 27 51 A Y 0 0 204 -2,-0.9 -2,-0.1 6,-0.1 6,-0.0 -0.922 360.0 360.0-161.4 360.0 -51.4 -21.6 -13.6 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 60 A L > 0 0 146 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 94.6 -60.2 -31.9 -15.7 30 61 A D G > + 0 0 136 1,-0.3 3,-1.5 2,-0.2 0, 0.0 0.717 360.0 70.9 -59.3 -26.2 -58.6 -31.2 -12.3 31 62 A W G 3 S+ 0 0 171 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.559 83.1 71.0 -74.5 -5.9 -55.9 -33.9 -12.7 32 63 A L G < S+ 0 0 101 -3,-1.8 2,-1.0 1,-0.1 -1,-0.3 0.682 77.0 91.5 -76.8 -21.6 -54.2 -31.7 -15.4 33 64 A D < + 0 0 78 -3,-1.5 -1,-0.1 -4,-0.2 -6,-0.1 -0.690 54.7 179.1 -76.4 102.4 -53.1 -29.4 -12.6 34 65 A L + 0 0 131 -2,-1.0 -1,-0.2 -8,-0.2 -3,-0.1 0.343 38.8 119.4 -89.4 4.8 -49.7 -30.8 -11.6 35 66 A D S S- 0 0 24 -9,-0.1 2,-0.1 1,-0.1 -10,-0.1 -0.463 73.4-107.8 -65.4 139.7 -49.1 -28.1 -8.9 36 67 A P > - 0 0 14 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.462 25.6-119.4 -62.9 141.8 -48.6 -29.5 -5.4 37 68 A K T 3 S+ 0 0 171 1,-0.3 -2,-0.1 -2,-0.1 262,-0.1 0.842 112.9 57.0 -46.9 -41.8 -51.6 -28.8 -3.1 38 69 A L T > S+ 0 0 25 3,-0.1 3,-1.9 2,-0.1 -1,-0.3 0.357 74.6 127.1 -82.2 7.0 -49.3 -26.9 -0.7 39 70 A a T < S+ 0 0 19 -3,-2.4 -15,-0.2 1,-0.3 -14,-0.1 -0.442 83.0 14.0 -59.4 137.6 -48.2 -24.5 -3.5 40 71 A N T 3 S+ 0 0 110 -17,-1.8 -1,-0.3 1,-0.2 2,-0.1 0.678 95.8 167.1 63.6 21.2 -48.8 -20.9 -2.2 41 72 A S X - 0 0 19 -3,-1.9 3,-1.5 -18,-0.3 -1,-0.2 -0.419 44.6-133.9 -68.8 141.0 -49.3 -22.4 1.3 42 73 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.510 103.2 66.2 -65.9 -7.6 -49.3 -20.0 4.3 43 74 A R T 3 S+ 0 0 99 -5,-0.1 -26,-2.9 23,-0.1 2,-0.4 0.290 90.7 76.2 -98.6 11.0 -47.0 -22.4 6.0 44 75 A I E < -e 17 0B 17 -3,-1.5 2,-0.4 -28,-0.2 -26,-0.2 -0.970 47.3-178.6-126.7 135.5 -44.0 -21.9 3.7 45 76 A S E +e 18 0B 9 -28,-2.5 -26,-2.1 -2,-0.4 2,-0.3 -0.950 33.0 144.6-127.1 108.4 -41.5 -19.1 3.3 46 77 A A E -e 19 0B 1 -2,-0.4 2,-0.3 -28,-0.2 -23,-0.3 -0.997 27.1-175.9-150.7 147.5 -39.2 -19.9 0.4 47 78 A K > - 0 0 76 -28,-1.2 3,-1.7 -2,-0.3 -25,-0.2 -0.953 32.0-116.8-149.9 122.8 -37.3 -18.1 -2.3 48 79 A S T 3 S+ 0 0 72 -2,-0.3 -27,-0.2 1,-0.3 3,-0.1 -0.375 100.2 12.7 -64.0 132.1 -35.2 -19.7 -5.1 49 80 A G T 3 S+ 0 0 55 -29,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.652 113.4 91.4 74.5 15.8 -31.5 -18.7 -4.9 50 81 A N < - 0 0 13 -3,-1.7 -1,-0.3 -31,-0.1 2,-0.3 -0.832 48.2-179.6-130.1 171.0 -31.8 -17.2 -1.4 51 82 A S > - 0 0 21 -2,-0.3 4,-2.5 -3,-0.1 5,-0.2 -0.956 45.3 -99.4-158.8 168.0 -31.4 -18.6 2.1 52 83 A L H > S+ 0 0 7 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.908 124.8 48.1 -60.3 -40.6 -31.7 -17.4 5.7 53 84 A F H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.914 110.8 50.0 -66.2 -45.9 -27.9 -17.0 5.8 54 85 A R H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.944 114.7 43.9 -58.2 -48.2 -27.8 -15.1 2.5 55 86 A S H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.792 110.3 56.6 -69.4 -30.9 -30.5 -12.7 3.6 56 87 A F H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.902 123.3 21.6 -62.3 -42.5 -28.9 -12.3 7.1 57 88 A H H < S+ 0 0 0 -4,-1.9 81,-2.7 -3,-0.1 82,-1.4 0.647 114.0 58.9-103.4 -24.1 -25.6 -11.1 5.7 58 89 A F B < S-H 137 0C 4 -4,-2.5 79,-0.2 79,-0.3 77,-0.0 -0.669 74.9-113.9-122.8 169.5 -26.0 -9.8 2.2 59 90 A I S S+ 0 0 95 77,-1.9 2,-1.6 -2,-0.2 78,-0.1 0.759 96.2 81.9 -75.0 -29.9 -27.8 -7.1 0.1 60 91 A D S S- 0 0 68 76,-0.2 2,-0.4 -6,-0.1 -2,-0.2 -0.631 75.3-178.6 -80.9 92.5 -30.0 -9.5 -1.9 61 92 A F - 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