==== 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 VIRAL PROTEIN 08-FEB-06 2FYR . COMPND 2 MOLECULE: CHYMOTRYPSIN-LIKE CYSTEINE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NORWALK VIRUS; . AUTHOR C.E.ZEITLER,M.K.ESTES,B.V.VENKATARAM PRASAD . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 39.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 . 26 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 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 . 0 1 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 . 0 2 1 2 2 2 1 0 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 . 1 0 0 1 0 0 1 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 1 A A 0 0 56 0, 0.0 5,-0.0 0, 0.0 136,-0.0 0.000 360.0 360.0 360.0 125.8 -5.2 32.3 -9.5 2 2 A P >> - 0 0 55 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.260 360.0-104.0 -74.2 161.4 -3.6 32.5 -12.9 3 3 A P H 3> S+ 0 0 111 0, 0.0 4,-1.9 0, 0.0 0, 0.0 0.897 120.1 54.0 -50.3 -47.3 -1.7 35.4 -14.4 4 4 A T H 34 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 64,-0.0 0.860 106.0 52.8 -59.5 -36.5 -4.5 36.4 -16.8 5 5 A L H X4 S+ 0 0 6 -3,-0.6 3,-1.2 1,-0.2 4,-0.4 0.920 109.7 48.6 -65.7 -42.6 -7.0 36.5 -13.8 6 6 A W H >< S+ 0 0 22 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.815 99.4 66.9 -65.2 -32.1 -4.7 38.9 -12.0 7 7 A S T 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.661 91.1 65.0 -65.3 -13.0 -4.3 41.1 -15.1 8 8 A R T < S+ 0 0 11 -3,-1.2 11,-1.5 -4,-0.4 2,-0.5 0.784 80.3 92.0 -78.0 -27.3 -8.0 41.9 -14.6 9 9 A V E < -A 18 0A 4 -3,-1.5 2,-0.4 -4,-0.4 9,-0.2 -0.574 64.1-175.0 -72.4 118.4 -7.2 43.6 -11.3 10 10 A T E -A 17 0A 29 7,-2.9 7,-2.7 -2,-0.5 2,-0.2 -0.935 30.9-114.0-125.2 137.3 -6.7 47.3 -12.2 11 11 A K E +A 16 0A 79 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.462 45.5 170.1 -65.3 131.4 -5.6 50.4 -10.2 12 12 A F E > -A 15 0A 14 3,-1.9 3,-2.7 -2,-0.2 -2,-0.0 -0.949 48.3 -48.0-150.4 124.7 -8.6 52.7 -10.1 13 13 A G T 3 S- 0 0 38 -2,-0.3 19,-0.2 1,-0.3 -1,-0.1 -0.222 121.1 -18.3 51.9-134.9 -9.2 55.9 -8.2 14 14 A S T 3 S+ 0 0 77 17,-1.4 -1,-0.3 16,-0.1 116,-0.2 0.280 141.0 8.7 -85.6 10.5 -8.2 55.4 -4.5 15 15 A G E < S-A 12 0A 0 -3,-2.7 -3,-1.9 16,-0.4 2,-0.3 -0.328 92.5 -66.2-148.6-127.1 -8.5 51.7 -4.9 16 16 A W E -A 11 0A 19 114,-1.6 12,-0.7 -5,-0.3 2,-0.3 -0.928 26.3-157.1-143.8 164.9 -8.8 49.0 -7.5 17 17 A G E -AB 10 27A 0 -7,-2.7 -7,-2.9 -2,-0.3 2,-0.4 -0.843 13.5-133.1-136.3 173.2 -11.3 47.6 -10.1 18 18 A F E -AB 9 26A 0 8,-2.6 8,-2.3 -2,-0.3 2,-1.0 -0.984 10.8-135.6-139.2 125.9 -11.8 44.3 -11.9 19 19 A W E + B 0 25A 8 -11,-1.5 6,-0.2 -2,-0.4 -10,-0.1 -0.677 21.2 177.5 -81.9 104.1 -12.5 43.5 -15.6 20 20 A V S S- 0 0 9 4,-1.9 51,-1.6 -2,-1.0 -1,-0.2 0.833 73.1 -17.8 -72.2 -32.2 -15.3 40.9 -15.7 21 21 A S S S- 0 0 17 3,-1.5 -1,-0.1 49,-0.2 49,-0.1 -0.888 89.5 -71.1-157.3-176.9 -15.2 41.1 -19.5 22 22 A P S S+ 0 0 19 0, 0.0 42,-2.3 0, 0.0 43,-1.7 0.821 133.5 21.7 -56.5 -31.3 -13.9 43.3 -22.4 23 23 A T S S+ 0 0 28 40,-0.2 37,-2.4 41,-0.2 2,-0.5 0.533 107.6 85.5-113.9 -11.3 -16.6 45.9 -21.5 24 24 A V E + C 0 59A 10 35,-0.2 -4,-1.9 41,-0.1 -3,-1.5 -0.853 46.4 174.7-105.7 124.9 -17.6 45.2 -17.9 25 25 A F E -BC 19 58A 0 33,-2.4 33,-3.9 -2,-0.5 2,-0.4 -0.988 6.9-170.2-126.7 127.0 -15.6 46.7 -15.0 26 26 A I E +BC 18 57A 0 -8,-2.3 -8,-2.6 -2,-0.4 2,-0.3 -0.915 16.5 148.4-119.2 147.3 -16.7 46.4 -11.3 27 27 A T E -BC 17 56A 0 29,-2.2 29,-2.4 -2,-0.4 2,-0.5 -0.907 51.0 -74.2-159.2 179.7 -15.2 48.2 -8.3 28 28 A T E >> - C 0 55A 0 -12,-0.7 3,-2.1 -2,-0.3 4,-0.6 -0.783 39.9-130.1 -91.2 130.6 -16.2 49.5 -4.9 29 29 A T G >4 S+ 0 0 31 25,-1.6 3,-1.3 -2,-0.5 -1,-0.1 0.828 100.8 59.3 -47.0 -44.9 -18.2 52.7 -5.0 30 30 A H G 34 S+ 0 0 92 1,-0.3 -1,-0.3 24,-0.2 -16,-0.1 0.468 102.3 53.6 -72.2 2.8 -16.1 54.7 -2.5 31 31 A V G <4 S+ 0 0 3 -3,-2.1 -17,-1.4 -15,-0.1 -16,-0.4 0.558 80.4 111.2-107.1 -12.5 -13.0 54.4 -4.6 32 32 A V S << S- 0 0 21 -3,-1.3 2,-0.3 -4,-0.6 -19,-0.1 -0.454 72.2-124.9 -66.4 121.3 -14.6 55.8 -7.8 33 33 A P - 0 0 41 0, 0.0 3,-0.3 0, 0.0 2,-0.3 -0.512 26.4-164.5 -69.3 122.9 -13.2 59.2 -8.6 34 34 A T + 0 0 134 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.729 69.5 50.0-102.9 159.9 -15.9 61.8 -9.0 35 35 A G S S+ 0 0 84 1,-0.5 -1,-0.2 -2,-0.3 2,-0.1 0.174 85.5 116.5 97.8 -18.0 -15.2 65.2 -10.7 36 36 A V - 0 0 55 -3,-0.3 -1,-0.5 1,-0.1 3,-0.1 -0.444 58.5-150.7 -81.5 159.6 -13.7 63.4 -13.6 37 37 A K S S+ 0 0 166 1,-0.2 7,-1.6 -2,-0.1 2,-0.3 0.369 74.7 17.8-110.6 1.8 -15.2 63.6 -17.0 38 38 A E E -E 43 0B 84 5,-0.3 2,-0.4 6,-0.1 -1,-0.2 -0.990 59.7-136.5-165.1 162.3 -14.0 60.2 -18.3 39 39 A F E > S-E 42 0B 13 3,-2.3 3,-1.9 -2,-0.3 0, 0.0 -0.995 89.2 -12.4-130.5 125.0 -12.7 56.7 -17.3 40 40 A F T 3 S- 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.839 131.6 -53.4 54.8 34.4 -9.9 55.0 -19.2 41 41 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.543 112.3 121.5 81.3 6.4 -10.3 57.7 -21.8 42 42 A E E < -E 39 0B 32 -3,-1.9 -3,-2.3 20,-0.0 -1,-0.2 -0.902 66.4-117.3-106.8 127.6 -14.0 57.1 -22.3 43 43 A P E > -E 38 0B 66 0, 0.0 3,-1.7 0, 0.0 -5,-0.3 -0.284 24.2-119.3 -59.2 144.9 -16.5 60.0 -21.8 44 44 A L G > S+ 0 0 56 -7,-1.6 3,-1.9 1,-0.3 5,-0.1 0.848 112.5 62.1 -54.4 -37.3 -18.9 59.4 -19.0 45 45 A S G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -8,-0.2 -7,-0.1 0.753 99.0 56.0 -62.7 -23.8 -21.8 59.6 -21.4 46 46 A S G < S+ 0 0 29 -3,-1.7 15,-1.3 2,-0.0 2,-0.4 0.278 99.4 79.1 -92.0 12.4 -20.5 56.6 -23.3 47 47 A I E < S-D 60 0A 17 -3,-1.9 2,-0.9 13,-0.2 13,-0.2 -0.960 70.6-142.5-124.7 138.7 -20.6 54.5 -20.1 48 48 A A E -D 59 0A 38 11,-2.8 11,-1.7 -2,-0.4 2,-0.7 -0.857 25.1-167.2 -97.7 103.3 -23.4 52.8 -18.3 49 49 A I E -D 58 0A 60 -2,-0.9 2,-0.6 9,-0.2 9,-0.2 -0.840 7.5-175.7 -98.3 113.8 -22.7 53.2 -14.7 50 50 A H E +D 57 0A 113 7,-2.9 7,-2.8 -2,-0.7 2,-0.5 -0.930 5.2 179.5-109.6 115.4 -24.7 51.1 -12.3 51 51 A Q E +D 56 0A 106 -2,-0.6 2,-0.5 5,-0.2 5,-0.2 -0.964 9.3 175.6-121.1 122.4 -24.1 51.8 -8.6 52 52 A A E > -D 55 0A 40 3,-3.2 3,-1.8 -2,-0.5 2,-0.2 -0.883 66.0 -58.6-126.8 99.7 -25.9 49.9 -5.9 53 53 A G T 3 S- 0 0 49 -2,-0.5 61,-0.1 1,-0.3 110,-0.0 -0.501 121.9 -13.5 66.8-128.9 -24.6 50.9 -2.5 54 54 A E T 3 S+ 0 0 19 -2,-0.2 -25,-1.6 59,-0.2 2,-0.6 0.291 119.8 92.9 -88.2 8.7 -20.9 50.1 -2.4 55 55 A F E < -CD 28 52A 6 -3,-1.8 -3,-3.2 -27,-0.2 2,-0.4 -0.914 53.6-178.2-107.4 123.6 -21.1 48.0 -5.5 56 56 A T E -CD 27 51A 0 -29,-2.4 -29,-2.2 -2,-0.6 2,-0.4 -0.965 6.3-173.5-123.4 137.0 -20.3 49.7 -8.8 57 57 A Q E -CD 26 50A 31 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.4 -0.994 6.6-160.1-130.1 132.4 -20.4 48.3 -12.3 58 58 A F E -CD 25 49A 0 -33,-3.9 -33,-2.4 -2,-0.4 2,-0.5 -0.920 3.3-168.5-111.4 133.7 -19.3 50.0 -15.5 59 59 A R E -CD 24 48A 121 -11,-1.7 -11,-2.8 -2,-0.4 -35,-0.2 -0.956 15.1-156.2-120.5 109.2 -20.4 48.9 -19.0 60 60 A F E - D 0 47A 4 -37,-2.4 -13,-0.2 -2,-0.5 4,-0.1 -0.539 18.2-136.7 -82.9 150.2 -18.4 50.6 -21.6 61 61 A S S S+ 0 0 95 -15,-1.3 2,-0.4 -2,-0.2 -1,-0.1 0.503 91.5 53.9 -83.4 -4.0 -19.8 51.0 -25.2 62 62 A K S S- 0 0 123 -16,-0.2 2,-0.5 -39,-0.1 -2,-0.1 -0.974 98.8-100.4-131.5 144.0 -16.4 50.1 -26.5 63 63 A K + 0 0 137 -2,-0.4 -40,-0.2 1,-0.2 -2,-0.1 -0.503 38.9 174.7 -66.2 115.8 -14.2 47.0 -25.8 64 64 A M S S+ 0 0 41 -42,-2.3 -41,-0.2 -2,-0.5 -1,-0.2 0.757 80.0 27.1 -92.5 -32.6 -11.6 48.2 -23.3 65 65 A R > + 0 0 48 -43,-1.7 3,-1.7 1,-0.1 -1,-0.2 -0.585 66.3 161.9-130.2 68.7 -10.0 44.8 -22.7 66 66 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -43,-0.1 0.645 71.9 69.1 -63.2 -13.5 -10.7 42.8 -25.9 67 67 A D T 3 S+ 0 0 104 -3,-0.1 2,-0.3 -45,-0.1 -2,-0.0 0.742 89.0 80.5 -75.6 -24.2 -7.9 40.4 -24.9 68 68 A L S < S- 0 0 7 -3,-1.7 2,-0.3 -47,-0.0 -3,-0.1 -0.602 73.6-135.7 -86.1 141.0 -10.0 39.1 -22.0 69 69 A T - 0 0 104 -2,-0.3 2,-0.1 -48,-0.1 -2,-0.1 -0.665 36.0-101.0 -72.6 146.6 -12.8 36.5 -22.1 70 70 A G - 0 0 51 -2,-0.3 2,-0.3 -49,-0.1 -49,-0.2 -0.392 42.9-163.8 -54.3 146.5 -15.9 37.3 -20.2 71 71 A M - 0 0 32 -51,-1.6 2,-0.3 -2,-0.1 72,-0.1 -0.903 27.5 -82.9-134.9 163.6 -16.1 35.5 -16.9 72 72 A V E -f 143 0C 73 70,-0.5 72,-2.2 -2,-0.3 2,-0.5 -0.500 34.8-169.0 -74.8 131.0 -18.9 34.7 -14.5 73 73 A L E +f 144 0C 34 -2,-0.3 2,-0.3 70,-0.2 72,-0.2 -0.980 13.6 177.9-118.3 116.5 -20.0 37.4 -12.0 74 74 A E - 0 0 62 70,-2.1 2,-1.3 -2,-0.5 89,-0.3 -0.765 39.7 -99.5-116.8 165.5 -22.4 36.2 -9.3 75 75 A E S S- 0 0 56 -2,-0.3 71,-0.1 87,-0.1 70,-0.1 -0.693 81.6 -56.8 -84.8 94.8 -24.0 37.9 -6.3 76 76 A G S S- 0 0 1 69,-1.8 70,-0.1 -2,-1.3 -2,-0.1 -0.151 72.6 -98.4 63.5-166.9 -21.8 36.7 -3.4 77 77 A C - 0 0 9 25,-0.2 3,-0.1 4,-0.1 6,-0.0 -0.905 42.5 -67.7-144.8 169.9 -21.4 32.9 -2.9 78 78 A P > - 0 0 88 0, 0.0 3,-2.0 0, 0.0 23,-0.2 -0.224 64.8 -86.1 -61.8 151.2 -22.8 30.2 -0.7 79 79 A E T 3 S+ 0 0 134 1,-0.3 23,-0.2 90,-0.1 3,-0.1 -0.294 116.3 24.5 -55.1 138.2 -22.0 30.3 3.1 80 80 A G T 3 S+ 0 0 40 21,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.292 82.8 145.4 89.1 -11.8 -18.7 28.5 3.8 81 81 A T < - 0 0 31 -3,-2.0 20,-3.2 21,-0.2 2,-0.8 -0.413 47.3-135.0 -63.8 129.5 -17.3 29.1 0.3 82 82 A V E +G 100 0C 81 18,-0.2 18,-0.3 -2,-0.2 2,-0.1 -0.779 33.4 177.2 -89.5 110.2 -13.5 29.6 0.5 83 83 A C E -G 99 0C 3 16,-2.9 16,-2.2 -2,-0.8 2,-0.4 -0.427 24.6-130.0-102.9-177.8 -12.7 32.6 -1.7 84 84 A S E -GH 98 135C 25 51,-2.7 51,-2.6 14,-0.2 2,-0.8 -0.999 11.0-141.4-135.2 129.1 -9.5 34.4 -2.5 85 85 A V E -GH 97 134C 0 12,-2.7 2,-2.1 -2,-0.4 12,-1.8 -0.841 14.9-145.1 -93.0 112.2 -9.2 38.2 -2.4 86 86 A L E -G 96 0C 0 47,-2.3 2,-0.4 -2,-0.8 48,-0.1 -0.483 28.1-178.4 -79.7 75.4 -6.9 39.1 -5.3 87 87 A I E -G 95 0C 0 -2,-2.1 8,-3.2 8,-0.8 2,-0.4 -0.622 10.7-169.7 -81.9 126.5 -5.2 42.1 -3.6 88 88 A K E -G 94 0C 46 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.917 10.2-148.8-112.3 141.1 -2.6 44.1 -5.5 89 89 A R > - 0 0 44 4,-2.3 3,-2.1 -2,-0.4 40,-0.0 -0.767 28.3-109.1-107.8 156.2 -0.4 46.6 -3.7 90 90 A D T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 -79,-0.0 0.804 117.7 60.8 -54.2 -31.1 0.9 49.8 -5.2 91 91 A S T 3 S- 0 0 102 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.711 122.5-104.8 -69.6 -20.4 4.4 48.3 -5.3 92 92 A G S < S+ 0 0 54 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.149 72.8 145.4 114.8 -15.9 3.2 45.6 -7.6 93 93 A E - 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