==== 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 24-APR-10 3MP2 . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: PORCINE TRANSMISSIBLE GASTROENTERITIS . AUTHOR J.A.WOJDYLA,I.MANOLARIDIS,P.A.TUCKER . 211 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 29.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 3 1.4 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 . 14 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 0 3 1 0 1 0 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 . 1 0 0 0 0 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 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 10 A S 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.7 23.9 -27.0 43.7 2 11 A L - 0 0 117 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.369 360.0 -85.9 -82.5 173.3 24.3 -23.4 42.3 3 12 A P - 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.510 56.7 -85.6 -78.6 156.2 21.4 -21.0 42.6 4 13 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 46,-0.0 -0.091 47.2 -97.6 -52.1 152.5 18.8 -21.0 39.8 5 14 A F - 0 0 17 -3,-0.1 46,-0.3 1,-0.1 47,-0.1 -0.610 43.7-121.0 -65.8 134.8 19.3 -19.0 36.6 6 15 A K - 0 0 144 -2,-0.3 11,-2.2 -3,-0.1 2,-0.3 -0.405 34.0-159.0 -70.7 152.7 17.4 -15.6 37.0 7 16 A T E -A 16 0A 50 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.880 19.2-154.4-130.3 168.7 14.8 -14.8 34.4 8 17 A T E -A 15 0A 53 7,-1.9 7,-2.3 -2,-0.3 2,-0.8 -0.994 17.4-140.2-132.4 143.5 12.7 -12.1 32.7 9 18 A N E -A 14 0A 112 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.846 28.5-179.5-101.1 99.5 9.4 -12.5 31.1 10 19 A L E > -A 13 0A 33 3,-2.4 3,-1.3 -2,-0.8 -2,-0.0 -0.853 63.6 -34.4-107.7 111.8 9.5 -10.3 28.0 11 20 A N T 3 S- 0 0 102 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.910 128.1 -39.3 43.2 47.5 6.4 -10.0 25.7 12 21 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.474 118.2 102.9 94.4 5.5 5.4 -13.6 26.4 13 22 A K E < -A 10 0A 21 -3,-1.3 -3,-2.4 21,-0.0 2,-0.4 -0.976 62.5-138.2-127.4 133.4 8.9 -15.3 26.4 14 23 A I E -A 9 0A 8 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.773 28.7-173.7 -85.5 133.6 10.9 -16.3 29.4 15 24 A I E -A 8 0A 1 -7,-2.3 -7,-1.9 -2,-0.4 2,-0.4 -0.956 16.2-125.5-135.5 151.4 14.6 -15.4 28.9 16 25 A L E -A 7 0A 0 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.802 20.9-111.7-110.4 134.6 17.6 -16.2 31.0 17 26 A K - 0 0 97 -11,-2.2 2,-0.3 -2,-0.4 5,-0.1 -0.301 43.7-103.4 -54.2 131.4 20.2 -14.0 32.5 18 27 A Q + 0 0 105 169,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.418 67.6 130.8 -57.8 120.1 23.6 -14.5 30.9 19 28 A G > + 0 0 26 -2,-0.3 3,-1.7 -3,-0.1 48,-0.2 -0.920 57.4 10.5-171.0 143.0 25.7 -16.6 33.3 20 29 A D T 3 S- 0 0 70 -2,-0.3 47,-0.8 1,-0.3 -2,-0.0 0.739 121.6 -64.0 60.9 29.1 28.0 -19.6 33.2 21 30 A N T 3 S+ 0 0 88 1,-0.1 3,-0.5 45,-0.1 -1,-0.3 0.833 93.1 144.3 60.6 36.2 28.1 -19.9 29.4 22 31 A N <> + 0 0 2 -3,-1.7 4,-2.0 1,-0.2 5,-0.2 0.214 30.1 105.0 -85.0 14.9 24.3 -20.5 29.3 23 32 A C H > S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 74.7 58.6 -72.4 -32.4 23.5 -18.7 26.1 24 33 A W H > S+ 0 0 2 -3,-0.5 4,-2.0 1,-0.2 5,-0.2 0.925 107.6 48.7 -58.2 -38.2 23.2 -21.8 24.0 25 34 A I H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.946 111.1 49.1 -63.7 -50.2 20.4 -22.9 26.4 26 35 A N H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.902 110.6 50.3 -54.0 -46.8 18.7 -19.6 26.2 27 36 A A H X S+ 0 0 1 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.869 114.9 43.1 -61.4 -39.4 18.8 -19.5 22.4 28 37 A C H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.934 114.3 49.4 -74.1 -46.2 17.3 -23.0 22.1 29 38 A C H X S+ 0 0 0 -4,-3.4 4,-1.7 -5,-0.2 -2,-0.2 0.875 107.0 56.4 -63.4 -31.5 14.7 -22.4 24.8 30 39 A Y H < S+ 0 0 0 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.943 110.0 45.3 -67.6 -43.0 13.6 -19.2 23.1 31 40 A Q H >< S+ 0 0 0 -4,-1.6 3,-2.3 1,-0.2 4,-0.3 0.932 107.8 55.9 -60.6 -45.0 12.9 -21.0 19.9 32 41 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 6,-0.3 0.851 98.4 65.6 -57.9 -29.3 11.1 -24.0 21.7 33 42 A Q T 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.689 90.8 64.2 -68.4 -13.2 8.8 -21.3 23.1 34 43 A A T < S+ 0 0 16 -3,-2.3 2,-0.7 -4,-0.3 -1,-0.3 0.575 89.6 76.9 -80.0 -11.2 7.6 -20.6 19.6 35 44 A F X - 0 0 5 -3,-1.9 3,-1.2 -4,-0.3 -1,-0.1 -0.870 56.0-171.6-109.0 113.7 6.1 -24.1 19.3 36 45 A D T 3 S+ 0 0 157 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.712 85.3 64.0 -76.1 -15.3 2.8 -24.6 21.1 37 46 A F T 3 S+ 0 0 71 48,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.590 81.2 95.9 -77.7 -12.5 3.0 -28.4 20.3 38 47 A F < + 0 0 3 -3,-1.2 2,-0.3 -6,-0.3 42,-0.0 -0.677 54.6 144.1 -88.6 130.1 6.1 -28.9 22.4 39 48 A N + 0 0 65 -2,-0.5 2,-0.3 4,-0.0 3,-0.1 -0.999 15.0 139.2-164.0 154.7 5.5 -30.1 26.0 40 49 A N > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.911 61.0 -80.8 177.8 174.4 6.5 -32.1 29.0 41 50 A E H > S+ 0 0 183 -2,-0.3 4,-0.8 1,-0.2 13,-0.1 0.827 126.9 42.6 -63.7 -38.6 6.5 -31.9 32.8 42 51 A A H > S+ 0 0 18 1,-0.2 4,-1.0 2,-0.2 12,-0.6 0.817 114.2 51.7 -80.1 -26.1 9.8 -29.9 33.0 43 52 A W H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.834 100.6 61.5 -76.0 -37.3 8.8 -27.6 30.1 44 53 A E H < S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.1 43.9 -57.8 -34.4 5.5 -26.8 31.6 45 54 A K H ><>S+ 0 0 69 -4,-0.8 5,-1.9 -5,-0.2 3,-0.9 0.772 109.1 56.8 -77.8 -32.6 7.4 -25.3 34.6 46 55 A F H ><5S+ 0 0 0 -4,-1.0 3,-2.3 1,-0.2 -2,-0.2 0.943 97.2 61.7 -66.1 -48.2 10.0 -23.5 32.4 47 56 A K T 3<5S+ 0 0 83 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.638 106.1 49.2 -52.8 -12.5 7.3 -21.6 30.5 48 57 A K T < 5S- 0 0 157 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.524 126.4 -93.2-109.2 -8.7 6.4 -20.1 33.9 49 58 A G T < 5S+ 0 0 25 -3,-2.3 2,-1.4 -4,-0.4 -3,-0.2 0.190 96.2 113.7 115.3 -11.0 9.9 -19.0 35.0 50 59 A D < + 0 0 95 -5,-1.9 3,-0.4 1,-0.2 4,-0.3 -0.596 40.0 155.4 -91.8 77.1 10.7 -22.1 37.0 51 60 A V > + 0 0 4 -2,-1.4 4,-2.6 -46,-0.3 3,-0.3 0.615 34.2 87.7 -93.6 -22.2 13.4 -23.1 34.7 52 61 A M H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.801 84.7 58.4 -58.2 -30.7 16.0 -25.3 36.4 53 62 A D H > S+ 0 0 79 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.987 115.4 35.4 -59.0 -53.1 14.3 -28.7 35.7 54 63 A F H > S+ 0 0 0 -12,-0.6 4,-2.0 -4,-0.3 -2,-0.2 0.904 117.0 53.7 -68.7 -42.9 14.3 -28.2 31.9 55 64 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.931 110.4 47.2 -56.6 -45.1 17.6 -26.5 32.0 56 65 A N H X S+ 0 0 85 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.865 106.3 58.2 -62.1 -36.4 19.1 -29.4 33.9 57 66 A L H X S+ 0 0 68 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.869 103.1 55.3 -57.9 -38.5 17.5 -31.8 31.4 58 67 A C H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 6,-0.3 0.838 107.7 47.2 -65.7 -40.3 19.5 -29.9 28.6 59 68 A Y H X>S+ 0 0 12 -4,-1.4 5,-1.2 2,-0.2 4,-1.0 0.911 112.5 50.1 -63.8 -44.2 22.7 -30.5 30.3 60 69 A A H ><5S+ 0 0 72 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.951 109.5 50.8 -58.2 -52.2 21.8 -34.3 30.8 61 70 A A H 3<5S+ 0 0 40 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 117.9 37.4 -56.8 -34.8 20.9 -34.7 27.2 62 71 A T H 3<5S- 0 0 13 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.514 104.0-125.2-100.1 -10.0 24.1 -33.3 25.8 63 72 A T T <<5 + 0 0 129 -4,-1.0 2,-0.3 -3,-0.7 -3,-0.2 0.664 66.9 135.6 73.8 11.9 26.3 -34.7 28.5 64 73 A L < - 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