==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 04-NOV-12 2YQ2 . COMPND 2 MOLECULE: BVDV1 E2; . SOURCE 2 ORGANISM_SCIENTIFIC: BOVINE VIRAL DIARRHEA VIRUS 1; . AUTHOR K.EL OMARI,O.IOURIN,K.HARLOS,J.M.GRIMES,D.I.STUART . 662 2 17 16 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 233 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 18 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 53 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 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 PARALLEL BRIDGES PER LADDER . 3 10 13 7 5 5 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 . 4 4 4 4 0 0 2 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 2 A T 0 0 89 0, 0.0 51,-1.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 163.3 -28.7 48.2 -16.7 2 3 A G B -A 51 0A 15 49,-0.2 2,-0.4 45,-0.0 49,-0.3 -0.806 360.0 -94.5-134.5 174.6 -27.6 46.4 -13.5 3 4 A a - 0 0 9 47,-2.1 6,-0.0 -2,-0.2 5,-0.0 -0.824 30.6-163.5-105.1 136.7 -28.4 43.3 -11.5 4 5 A K > - 0 0 95 -2,-0.4 3,-1.2 1,-0.0 28,-0.1 -0.851 27.4-116.3-114.1 146.6 -30.8 43.3 -8.5 5 6 A P T 3 S+ 0 0 94 0, 0.0 27,-0.4 0, 0.0 -1,-0.0 0.738 106.7 48.3 -59.6 -33.8 -31.1 40.5 -5.8 6 7 A E T 3 S+ 0 0 112 25,-0.1 64,-2.0 2,-0.0 65,-0.3 -0.024 97.2 91.7-102.0 35.2 -34.7 39.2 -6.5 7 8 A Y E < -B 69 0B 83 -3,-1.2 25,-0.7 62,-0.2 2,-0.4 -0.889 64.3-134.9-127.0 154.9 -34.3 38.7 -10.3 8 9 A Y E -BC 68 31B 69 60,-3.8 60,-2.1 -2,-0.3 2,-0.3 -0.856 22.9-158.3-105.5 141.3 -33.2 36.0 -12.7 9 10 A Y E +BC 67 30B 0 21,-2.5 21,-2.5 -2,-0.4 2,-0.3 -0.939 18.6 154.5-126.8 146.0 -30.9 36.8 -15.6 10 11 A A E -B 66 0B 0 56,-1.8 56,-3.2 -2,-0.3 2,-0.4 -0.955 38.4-109.7-156.8 166.3 -30.1 35.1 -19.0 11 12 A I E -B 65 0B 0 -2,-0.3 15,-3.0 54,-0.2 16,-1.2 -0.893 34.0-163.3-106.4 136.1 -28.8 35.8 -22.6 12 13 A A E -BD 64 25B 0 52,-2.7 52,-2.7 -2,-0.4 13,-0.2 -0.927 27.5-155.3-124.7 148.2 -31.3 35.7 -25.5 13 14 A K S S+ 0 0 105 11,-3.6 2,-0.3 -2,-0.3 49,-0.2 0.637 87.1 18.4 -88.2 -20.5 -31.0 35.5 -29.4 14 15 A N - 0 0 50 10,-0.5 10,-0.2 2,-0.1 50,-0.1 -0.896 67.6-124.8-145.4 172.2 -34.5 37.1 -29.8 15 16 A D + 0 0 101 -2,-0.3 64,-0.1 8,-0.1 2,-0.1 0.344 66.6 128.1 -98.9 -1.2 -37.2 39.3 -28.0 16 17 A R - 0 0 152 6,-0.0 7,-1.8 1,-0.0 8,-0.6 -0.308 41.2-160.1 -68.7 139.8 -40.0 36.7 -28.6 17 18 A I E -F 22 0C 72 5,-0.2 5,-0.2 6,-0.1 58,-0.1 -0.977 9.9-177.6-123.6 133.2 -42.3 35.4 -25.8 18 19 A G E > -F 21 0C 12 3,-3.2 3,-1.4 -2,-0.4 5,-0.0 -0.523 47.9 -81.1-116.7-174.8 -44.4 32.2 -25.9 19 20 A P T 3 S+ 0 0 126 0, 0.0 56,-0.1 0, 0.0 3,-0.1 0.793 131.1 44.1 -61.5 -29.1 -46.8 30.4 -23.5 20 21 A L T 3 S- 0 0 173 1,-0.3 2,-0.3 54,-0.1 -3,-0.0 0.366 123.5-102.4 -95.3 2.7 -43.9 28.8 -21.5 21 22 A G E < S+F 18 0C 3 -3,-1.4 -3,-3.2 54,-0.1 -1,-0.3 -0.846 80.8 17.7 116.1-151.7 -42.0 32.1 -21.4 22 23 A A E -F 17 0C 22 52,-0.5 -5,-0.2 -2,-0.3 3,-0.2 -0.317 53.8-170.0 -59.2 134.3 -38.9 33.4 -23.4 23 24 A E S S+ 0 0 99 -7,-1.8 -6,-0.1 1,-0.1 -1,-0.1 0.629 74.7 58.8-103.5 -22.3 -38.3 31.4 -26.6 24 25 A G + 0 0 0 -8,-0.6 -11,-3.6 -10,-0.2 -10,-0.5 -0.072 69.2 148.5-101.4 35.2 -34.9 32.7 -27.8 25 26 A L B +D 12 0B 54 -13,-0.2 -13,-0.3 -3,-0.2 3,-0.1 -0.495 23.0 177.5 -76.3 136.8 -32.8 31.8 -24.6 26 27 A T S S+ 0 0 50 -15,-3.0 2,-0.3 -2,-0.2 -14,-0.2 0.563 71.4 38.2-107.7 -21.6 -29.2 30.9 -25.3 27 28 A T S S- 0 0 22 -16,-1.2 2,-0.1 13,-0.1 13,-0.1 -0.829 89.4-101.7-125.7 164.0 -28.3 30.4 -21.6 28 29 A V - 0 0 118 -2,-0.3 2,-0.3 1,-0.1 -17,-0.2 -0.422 51.5 -84.9 -81.1 160.7 -30.1 28.9 -18.5 29 30 A W - 0 0 80 -2,-0.1 2,-0.4 -19,-0.1 -19,-0.2 -0.550 48.3-160.2 -71.0 126.6 -31.8 31.2 -15.9 30 31 A K E -C 9 0B 88 -21,-2.5 -21,-2.5 -2,-0.3 3,-0.1 -0.951 11.6-129.4-115.3 131.8 -29.2 32.3 -13.3 31 32 A D E -C 8 0B 101 -2,-0.4 -23,-0.2 -23,-0.2 -25,-0.1 -0.332 44.8 -79.6 -70.0 155.6 -30.1 33.7 -9.8 32 33 A Y + 0 0 73 -25,-0.7 -1,-0.1 -27,-0.4 -24,-0.0 -0.353 57.3 163.5 -62.3 135.4 -28.5 37.0 -8.6 33 34 A S > - 0 0 57 -3,-0.1 3,-1.2 -2,-0.1 17,-0.1 -0.971 47.2-112.9-147.3 144.6 -24.9 36.7 -7.4 34 35 A P T 3 S+ 0 0 93 0, 0.0 16,-0.3 0, 0.0 -31,-0.1 0.735 117.5 22.8 -60.5 -22.6 -22.3 39.5 -6.9 35 36 A E T 3 S+ 0 0 137 14,-0.1 12,-0.1 15,-0.1 13,-0.1 0.190 89.8 165.4-119.5 12.2 -19.9 38.4 -9.7 36 37 A M < - 0 0 10 -3,-1.2 11,-2.1 10,-0.1 2,-0.4 0.064 17.1-163.0 -36.8 127.2 -22.6 36.4 -11.7 37 38 A T E -G 46 0D 63 9,-0.2 2,-0.4 2,-0.0 9,-0.2 -0.982 11.5-162.5-124.1 132.3 -21.5 35.6 -15.3 38 39 A L E -G 45 0D 3 7,-2.0 7,-2.8 -2,-0.4 2,-0.4 -0.941 16.3-168.3-111.9 129.7 -23.7 34.5 -18.2 39 40 A E E +G 44 0D 123 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.988 18.2 148.1-131.6 134.2 -21.9 32.8 -21.2 40 41 A D - 0 0 17 3,-2.0 -13,-0.1 -2,-0.4 17,-0.1 -0.795 62.4 -82.3-143.4 178.9 -22.8 31.9 -24.8 41 42 A T S S+ 0 0 110 -2,-0.2 64,-0.2 1,-0.2 3,-0.1 0.617 125.9 34.5 -62.5 -17.3 -21.0 31.6 -28.2 42 43 A M S S+ 0 0 10 1,-0.2 15,-3.1 15,-0.1 16,-1.7 0.772 119.0 22.5-109.1 -39.2 -21.4 35.4 -28.8 43 44 A V E - H 0 56D 1 13,-0.2 -3,-2.0 14,-0.2 2,-0.5 -0.948 47.0-149.1-138.8 158.1 -21.1 37.3 -25.4 44 45 A I E -GH 39 55D 42 11,-1.6 11,-1.9 -2,-0.3 2,-0.5 -0.995 22.3-161.4-121.6 112.0 -19.8 37.1 -21.8 45 46 A A E -GH 38 54D 0 -7,-2.8 -7,-2.0 -2,-0.5 2,-0.4 -0.890 10.5-175.2 -99.8 124.9 -22.1 39.1 -19.4 46 47 A S E -GH 37 53D 31 7,-2.7 7,-2.6 -2,-0.5 2,-1.1 -0.987 23.5-157.3-128.9 126.1 -20.5 40.1 -16.0 47 48 A a E + H 0 52D 0 -11,-2.1 5,-0.2 -2,-0.4 -11,-0.1 -0.801 28.3 164.0-101.1 85.4 -22.1 41.8 -13.1 48 49 A R S S+ 0 0 132 -2,-1.1 -1,-0.2 3,-1.0 4,-0.1 0.908 77.3 7.9 -70.4 -50.4 -18.9 43.1 -11.6 49 50 A D S S- 0 0 128 2,-0.9 -1,-0.1 -3,-0.2 3,-0.1 0.177 122.3 -76.1-120.3 14.7 -20.3 45.8 -9.1 50 51 A G S S+ 0 0 20 1,-0.3 -47,-2.1 -16,-0.3 2,-0.4 0.331 118.2 99.0 97.7 -0.6 -24.0 45.0 -9.4 51 52 A K B S-A 2 0A 138 -49,-0.3 -3,-1.0 -5,-0.0 -2,-0.9 -0.985 79.7-118.8-119.9 123.8 -23.6 46.9 -12.7 52 53 A F E -H 47 0D 15 -51,-1.3 2,-0.3 -2,-0.4 -5,-0.2 -0.463 29.1-179.3 -73.1 135.5 -23.3 44.8 -15.9 53 54 A M E -H 46 0D 95 -7,-2.6 -7,-2.7 -2,-0.2 2,-0.3 -0.947 15.0-147.6-128.2 144.7 -20.2 45.0 -18.2 54 55 A Y E -H 45 0D 78 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.881 15.6-164.0-123.9 152.9 -19.9 42.9 -21.4 55 56 A L E -H 44 0D 124 -11,-1.9 -11,-1.6 -2,-0.3 2,-0.2 -0.958 20.2-146.5-133.7 108.2 -17.2 41.2 -23.5 56 57 A S E +H 43 0D 82 -2,-0.4 -13,-0.2 -13,-0.2 3,-0.1 -0.578 23.1 173.2 -77.6 137.8 -18.1 40.3 -27.1 57 58 A R S S+ 0 0 107 -15,-3.1 48,-2.4 1,-0.5 49,-0.3 0.465 77.2 7.9-117.8 -12.2 -16.6 37.1 -28.6 58 59 A b - 0 0 7 -16,-1.7 -1,-0.5 46,-0.2 94,-0.0 -0.932 50.3-170.7-162.4 151.1 -18.7 37.2 -31.8 59 60 A T + 0 0 54 -2,-0.3 27,-3.1 27,-0.2 -17,-0.1 0.138 58.1 105.6-132.0 17.2 -21.2 39.8 -33.4 60 61 A R S S+ 0 0 47 25,-0.2 2,-0.3 27,-0.1 25,-0.1 0.861 84.1 43.1 -69.0 -32.8 -22.8 37.8 -36.3 61 62 A E S S- 0 0 101 24,-0.1 2,-0.2 23,-0.1 25,-0.2 -0.877 92.6-107.8-116.5 145.6 -26.1 37.4 -34.4 62 63 A T - 0 0 33 -2,-0.3 2,-0.4 -49,-0.2 22,-0.2 -0.482 35.9-158.2 -72.0 135.4 -28.1 39.9 -32.3 63 64 A R E - E 0 83B 8 20,-1.6 19,-2.6 -2,-0.2 20,-1.2 -0.935 9.2-170.9-122.0 143.8 -28.0 39.3 -28.5 64 65 A Y E -BE 12 81B 31 -52,-2.7 -52,-2.7 -2,-0.4 2,-0.6 -0.889 24.7-125.4-125.2 157.2 -30.3 40.5 -25.6 65 66 A L E -BE 11 80B 0 15,-2.4 15,-1.7 -2,-0.3 2,-0.5 -0.932 28.5-150.3-103.5 117.0 -30.2 40.4 -21.8 66 67 A A E -BE 10 79B 0 -56,-3.2 -56,-1.8 -2,-0.6 2,-0.4 -0.813 12.0-168.7 -93.8 127.4 -33.3 38.7 -20.5 67 68 A I E +BE 9 78B 22 11,-2.9 11,-2.6 -2,-0.5 2,-0.3 -0.973 9.8 170.9-120.3 130.7 -34.6 39.8 -17.1 68 69 A L E -B 8 0B 15 -60,-2.1 -60,-3.8 -2,-0.4 2,-0.2 -0.990 29.6-125.3-141.6 129.2 -37.3 37.9 -15.1 69 70 A H E -B 7 0B 50 -2,-0.3 -62,-0.2 -62,-0.2 7,-0.1 -0.487 18.9-128.0 -75.4 143.8 -38.5 38.5 -11.4 70 71 A S S S+ 0 0 38 -64,-2.0 -63,-0.1 1,-0.2 -1,-0.1 0.792 109.8 36.9 -59.3 -35.3 -38.4 35.5 -9.0 71 72 A R S S+ 0 0 197 -65,-0.3 -1,-0.2 2,-0.1 -64,-0.1 0.712 103.1 89.6 -90.4 -28.9 -42.1 36.0 -8.0 72 73 A A S S- 0 0 46 1,-0.1 5,-0.0 2,-0.0 -4,-0.0 -0.154 88.5 -87.7 -69.9 164.2 -43.5 37.2 -11.4 73 74 A L > - 0 0 127 1,-0.1 3,-1.8 2,-0.0 -4,-0.2 -0.417 34.8-119.3 -67.9 146.4 -44.9 34.9 -14.2 74 75 A P G > S+ 0 0 72 0, 0.0 3,-0.6 0, 0.0 -52,-0.5 0.672 112.8 61.0 -65.4 -14.9 -42.4 33.5 -16.8 75 76 A T G 3 S+ 0 0 64 1,-0.2 -54,-0.1 -54,-0.2 -55,-0.1 0.452 84.9 78.2 -88.3 -2.5 -44.2 35.4 -19.7 76 77 A S G < + 0 0 58 -3,-1.8 -1,-0.2 -7,-0.1 -7,-0.1 0.215 67.6 147.9 -89.3 11.2 -43.4 38.8 -18.0 77 78 A V < - 0 0 9 -3,-0.6 2,-0.4 -9,-0.1 -9,-0.2 -0.168 36.0-150.7 -53.7 136.9 -39.7 38.7 -19.3 78 79 A V E -E 67 0B 90 -11,-2.6 -11,-2.9 2,-0.0 2,-0.4 -0.922 8.7-153.4-113.0 135.1 -38.0 42.0 -20.2 79 80 A F E -E 66 0B 43 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.924 10.6-168.1-117.6 141.0 -35.3 42.2 -22.9 80 81 A K E -E 65 0B 110 -15,-1.7 -15,-2.4 -2,-0.4 2,-0.2 -0.968 26.1-129.7-128.0 108.2 -32.4 44.7 -23.3 81 82 A K E -E 64 0B 98 -2,-0.4 -17,-0.3 -17,-0.2 3,-0.1 -0.428 21.5-174.8 -62.4 121.4 -30.6 44.6 -26.7 82 83 A L E - 0 0 42 -19,-2.6 2,-0.3 1,-0.3 -18,-0.2 0.886 66.5 -19.6 -83.6 -46.1 -26.8 44.3 -26.1 83 84 A F E -E 63 0B 41 -20,-1.2 -20,-1.6 -22,-0.0 -1,-0.3 -0.964 63.2-111.3-162.8 150.7 -25.8 44.6 -29.8 84 85 A E - 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