==== 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 ALLERGEN 03-JUL-03 1UHG . COMPND 2 MOLECULE: OVALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.YAMASAKI,N.TAKAHASHI,M.HIROSE . 1527 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57109.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1119 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 303 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 140 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.1 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 1 1 0 7 5 0 10 4 4 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 4 0 0 0 2 2 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 . 7 0 4 0 5 10 5 4 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 4 0 0 0 4 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 G 0 0 47 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -14.7 -16.6 -22.9 -15.6 2 2 A S > - 0 0 60 60,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.970 360.0-119.9-142.4 154.5 -16.5 -19.5 -13.7 3 3 A I H > S+ 0 0 13 -2,-0.3 4,-2.7 2,-0.2 372,-0.3 0.824 113.2 58.1 -66.9 -29.6 -13.9 -17.8 -11.5 4 4 A G H > S+ 0 0 3 368,-0.3 4,-1.9 2,-0.2 371,-0.3 0.981 112.1 39.7 -62.4 -53.1 -16.4 -17.8 -8.6 5 5 A A H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.941 119.0 46.0 -60.7 -50.7 -16.8 -21.5 -8.7 6 6 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.873 111.7 49.8 -63.9 -41.9 -13.1 -22.3 -9.4 7 7 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.898 113.8 46.4 -67.0 -37.8 -11.7 -19.9 -6.8 8 8 A M H X S+ 0 0 10 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.930 114.0 46.9 -69.4 -46.4 -14.1 -21.3 -4.1 9 9 A E H X S+ 0 0 75 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.940 115.9 45.7 -59.2 -46.2 -13.3 -25.0 -5.0 10 10 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.927 111.4 54.1 -62.2 -42.4 -9.6 -24.2 -5.0 11 11 A C H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 110.1 45.1 -57.0 -46.5 -10.0 -22.3 -1.7 12 12 A F H X S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.829 110.2 54.9 -72.9 -26.0 -11.6 -25.2 0.0 13 13 A D H X S+ 0 0 62 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.926 110.8 45.3 -67.8 -44.8 -9.0 -27.6 -1.4 14 14 A V H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 111.2 53.7 -63.7 -39.3 -6.3 -25.5 0.1 15 15 A F H X S+ 0 0 5 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.942 104.8 54.8 -60.7 -46.7 -8.2 -25.2 3.3 16 16 A K H X S+ 0 0 156 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.894 111.6 44.6 -53.4 -42.7 -8.4 -29.0 3.5 17 17 A E H >X S+ 0 0 39 -4,-1.7 3,-0.8 1,-0.2 4,-0.7 0.878 110.5 51.4 -73.6 -37.8 -4.7 -29.3 3.2 18 18 A L H 3X S+ 0 0 5 -4,-2.4 4,-1.0 1,-0.2 3,-0.2 0.837 98.5 67.9 -67.9 -29.7 -3.8 -26.6 5.7 19 19 A K H 3< S+ 0 0 64 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.829 92.2 64.0 -57.0 -31.2 -6.1 -28.2 8.3 20 20 A V H << S+ 0 0 89 -3,-0.8 3,-0.3 -4,-0.6 -1,-0.2 0.951 117.4 19.6 -59.0 -55.3 -3.6 -31.1 8.5 21 21 A H H < S+ 0 0 146 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.248 121.2 59.9-104.2 13.6 -0.6 -29.3 9.8 22 22 A H >< + 0 0 48 -4,-1.0 3,-1.3 -3,-0.3 -1,-0.2 -0.071 64.4 161.0-132.1 36.6 -2.2 -26.2 11.3 23 23 A A T 3 S+ 0 0 64 -3,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.256 70.0 4.5 -61.1 144.7 -4.7 -27.4 13.9 24 24 A N T 3 S+ 0 0 119 1,-0.2 2,-0.3 -5,-0.0 -1,-0.2 0.718 107.8 104.4 53.3 29.2 -5.8 -24.9 16.5 25 25 A E S < S- 0 0 98 -3,-1.3 -1,-0.2 356,-0.0 -3,-0.1 -0.904 80.9 -89.3-130.6 162.8 -4.0 -22.0 14.9 26 26 A N - 0 0 26 -2,-0.3 2,-0.4 357,-0.1 355,-0.2 -0.369 39.9-161.6 -66.3 151.0 -5.2 -19.0 12.9 27 27 A I E +A 380 0A 0 353,-2.1 353,-2.2 261,-0.1 2,-0.3 -0.995 17.1 162.7-135.4 135.1 -5.3 -19.7 9.1 28 28 A F E +A 379 0A 0 -2,-0.4 301,-0.3 351,-0.2 2,-0.3 -0.865 5.5 148.3-160.6 120.9 -5.4 -16.9 6.5 29 29 A Y E -A 378 0A 1 349,-2.0 349,-2.0 -2,-0.3 260,-0.1 -0.963 43.4-119.8-150.9 166.6 -4.6 -16.9 2.8 30 30 A C > - 0 0 0 -2,-0.3 4,-1.8 347,-0.2 3,-0.2 -0.863 22.4-175.2-114.3 92.3 -5.5 -15.2 -0.5 31 31 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.895 83.8 54.3 -52.6 -47.4 -6.8 -17.9 -2.9 32 32 A I H > S+ 0 0 0 343,-0.7 4,-1.9 344,-0.3 5,-0.1 0.902 108.4 49.0 -58.6 -40.4 -7.1 -15.5 -5.8 33 33 A A H > S+ 0 0 0 343,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.902 109.5 51.7 -68.0 -39.2 -3.5 -14.4 -5.5 34 34 A I H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.900 109.0 51.0 -64.1 -40.0 -2.2 -18.0 -5.4 35 35 A M H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.904 108.9 51.6 -63.5 -39.5 -4.2 -18.8 -8.5 36 36 A S H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 109.1 49.5 -65.1 -41.9 -2.6 -15.8 -10.3 37 37 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.926 114.9 44.8 -62.0 -42.7 0.9 -16.9 -9.3 38 38 A L H X S+ 0 0 4 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.877 108.2 57.3 -70.9 -35.9 0.3 -20.4 -10.6 39 39 A A H X S+ 0 0 0 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.901 104.7 53.3 -61.0 -37.6 -1.4 -19.1 -13.8 40 40 A M H < S+ 0 0 4 -4,-2.0 3,-0.4 2,-0.2 4,-0.4 0.906 112.6 42.5 -63.4 -41.7 1.8 -17.2 -14.5 41 41 A V H >< S+ 0 0 0 -4,-1.5 3,-2.2 1,-0.2 4,-0.4 0.935 106.3 63.7 -68.2 -44.5 3.9 -20.4 -14.2 42 42 A Y H >< S+ 0 0 8 -4,-3.2 3,-0.7 1,-0.3 -1,-0.2 0.713 89.1 71.4 -50.2 -28.2 1.2 -22.3 -16.2 43 43 A L T 3< S+ 0 0 28 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.809 108.9 30.0 -61.3 -34.4 2.0 -20.1 -19.2 44 44 A G T < S+ 0 0 0 -3,-2.2 269,-2.0 -4,-0.4 270,-0.5 0.243 96.2 109.8-111.6 13.5 5.3 -21.8 -19.7 45 45 A A < - 0 0 0 -3,-0.7 2,-0.3 -4,-0.4 266,-0.2 -0.652 44.9-169.9 -91.6 147.8 4.6 -25.3 -18.4 46 46 A K >> - 0 0 93 264,-2.6 4,-1.3 -2,-0.3 3,-1.1 -0.826 43.3 -6.6-129.7 170.4 4.4 -28.3 -20.7 47 47 A D H 3> S- 0 0 113 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 -0.155 126.5 -10.7 49.8-129.6 3.4 -32.0 -20.6 48 48 A S H 3> S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.785 132.7 64.3 -72.0 -28.0 2.5 -33.4 -17.1 49 49 A T H <> S+ 0 0 0 -3,-1.1 4,-1.3 1,-0.2 -2,-0.2 0.958 110.2 39.2 -57.9 -48.1 3.9 -30.3 -15.4 50 50 A R H X S+ 0 0 59 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.887 113.3 54.6 -69.1 -41.5 1.1 -28.3 -17.1 51 51 A T H X S+ 0 0 81 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.904 106.0 51.4 -62.8 -40.8 -1.6 -31.0 -16.7 52 52 A Q H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.878 111.1 48.3 -63.4 -41.3 -1.2 -31.2 -12.9 53 53 A I H X S+ 0 0 0 -4,-1.3 4,-3.1 -5,-0.3 5,-0.5 0.958 112.4 47.9 -64.4 -50.2 -1.5 -27.5 -12.5 54 54 A N H X>S+ 0 0 40 -4,-2.4 4,-1.1 1,-0.2 5,-0.8 0.894 114.7 46.7 -58.6 -40.5 -4.6 -27.3 -14.7 55 55 A K H <5S+ 0 0 160 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.915 118.1 40.4 -67.9 -45.0 -6.2 -30.2 -12.8 56 56 A V H <5S+ 0 0 16 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.871 125.9 32.9 -74.6 -39.9 -5.4 -28.9 -9.3 57 57 A V H <5S- 0 0 0 -4,-3.1 -1,-0.2 -5,-0.2 -3,-0.2 0.601 101.6-136.2 -90.8 -13.3 -6.1 -25.2 -9.8 58 58 A R T <5 + 0 0 51 -4,-1.1 -3,-0.2 -5,-0.5 -4,-0.1 0.962 47.4 154.4 55.4 62.7 -8.9 -26.0 -12.4 59 59 A F > < + 0 0 0 -5,-0.8 3,-2.0 1,-0.1 6,-0.2 0.651 43.4 110.0 -85.0 -21.4 -8.1 -23.4 -15.1 60 60 A D T 3 S+ 0 0 75 -6,-0.6 -1,-0.1 1,-0.3 5,-0.1 0.713 85.0 16.8 -15.1 -90.9 -9.9 -25.9 -17.4 61 61 A K T 3 S+ 0 0 165 -3,-0.1 -1,-0.3 -59,-0.1 -2,-0.1 0.328 96.7 128.5 -79.7 7.2 -13.2 -24.3 -18.4 62 62 A L X - 0 0 3 -3,-2.0 3,-2.5 1,-0.1 18,-0.1 -0.429 68.5-104.2 -74.7 135.6 -12.2 -20.8 -17.3 63 63 A P T 3 S+ 0 0 69 0, 0.0 19,-1.7 0, 0.0 20,-0.3 -0.277 109.4 21.0 -54.7 129.2 -12.6 -17.7 -19.6 64 64 A G T 3 S+ 0 0 13 1,-0.3 16,-2.5 16,-0.2 2,-0.3 0.328 106.5 99.0 93.1 -8.1 -9.1 -16.8 -20.9 65 65 A F < + 0 0 15 -3,-2.5 -1,-0.3 -6,-0.2 4,-0.1 -0.818 51.7 64.5-111.8 151.7 -7.6 -20.2 -20.2 66 66 A G S > S- 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 -0.348 85.9 -54.0 119.5 156.5 -7.1 -23.1 -22.7 67 67 A D H > S+ 0 0 144 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.809 120.5 28.9 -24.9 -90.8 -5.1 -24.0 -25.8 68 68 A X H 4 S+ 0 0 164 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.922 118.9 53.4 -49.1 -57.3 -5.7 -21.4 -28.6 69 69 A I H >4 S+ 0 0 38 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.884 108.5 47.7 -50.0 -50.1 -6.3 -18.4 -26.4 70 70 A E H >< S+ 0 0 11 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.855 95.6 72.4 -63.5 -33.8 -3.1 -18.7 -24.3 71 71 A A T 3< S+ 0 0 76 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.634 91.7 64.1 -55.4 -11.3 -1.0 -19.2 -27.4 72 72 A Q T X S+ 0 0 75 -3,-1.6 3,-1.7 -4,-0.4 -1,-0.3 0.128 71.9 145.7-100.7 20.0 -1.7 -15.5 -27.9 73 73 A a T < + 0 0 20 -3,-2.3 47,-0.2 1,-0.2 3,-0.1 -0.296 60.0 40.0 -60.5 139.6 0.1 -14.3 -24.8 74 74 A G T 3 S+ 0 0 13 1,-0.4 -1,-0.2 46,-0.4 2,-0.2 -0.138 121.1 42.5 112.3 -36.1 1.8 -10.9 -25.2 75 75 A T S < S+ 0 0 92 -3,-1.7 -1,-0.4 1,-0.1 4,-0.3 -0.705 86.1 60.9-126.8 178.3 -1.1 -9.6 -27.2 76 76 A S > - 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