==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 25-JUL-12 3VVJ . COMPND 2 MOLECULE: OVALBUMIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DROMAIUS NOVAEHOLLANDIAE; . AUTHOR Y.YASUTAKE,K.MAEHASHI,M.MATANO,J.TAKEUCHI . 1152 6 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 875 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 301 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 4 0.3 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 . 111 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.3 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 3 5 1 0 5 1 0 0 8 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 1 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 . 3 0 3 1 3 5 6 3 1 1 7 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 0 0 3 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 G 0 0 82 0, 0.0 2,-0.3 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0-171.6 -2.1 -56.3 -22.0 2 3 A S > - 0 0 47 81,-0.0 4,-1.8 84,-0.0 5,-0.2 -0.935 360.0-111.9-170.1 148.9 -5.4 -57.9 -21.0 3 4 A I H > S+ 0 0 5 -2,-0.3 4,-1.3 1,-0.2 32,-0.1 0.568 116.2 65.0 -73.2 -2.4 -8.4 -59.3 -22.7 4 5 A G H > S+ 0 0 0 2,-0.2 4,-2.1 3,-0.1 370,-0.4 0.969 103.2 45.9 -67.4 -64.7 -10.3 -56.4 -21.2 5 6 A A H > S+ 0 0 39 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.813 113.1 49.9 -34.0 -51.7 -8.3 -53.9 -23.3 6 7 A A H X S+ 0 0 2 -4,-1.8 4,-3.2 1,-0.2 5,-0.3 0.975 109.2 50.7 -65.5 -49.2 -8.7 -56.0 -26.4 7 8 A S H X S+ 0 0 0 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.843 116.1 43.2 -55.0 -37.9 -12.5 -56.3 -25.9 8 9 A T H X S+ 0 0 10 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.940 114.3 46.1 -75.2 -52.4 -12.7 -52.5 -25.5 9 10 A E H >X S+ 0 0 37 -4,-3.0 4,-1.6 1,-0.2 3,-0.6 0.948 117.2 46.8 -57.7 -48.7 -10.4 -51.4 -28.3 10 11 A F H 3X S+ 0 0 0 -4,-3.2 4,-2.6 -5,-0.3 5,-0.3 0.903 101.8 66.0 -52.6 -47.2 -12.1 -53.9 -30.5 11 12 A C H 3X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.839 107.2 41.0 -51.2 -34.7 -15.5 -52.7 -29.4 12 13 A F H < S+ 0 0 6 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.937 103.5 56.9 -75.5 -48.1 -21.2 -51.1 -37.8 19 20 A K H >< S+ 0 0 24 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.752 90.1 75.7 -59.5 -24.4 -22.8 -47.7 -37.6 20 21 A V T 3< S+ 0 0 68 -4,-0.6 -1,-0.3 1,-0.3 3,-0.2 0.811 107.2 33.0 -58.4 -29.1 -21.9 -47.0 -41.2 21 22 A H T < S+ 0 0 74 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.058 116.6 57.7-115.7 25.0 -24.7 -49.3 -42.2 22 23 A H X + 0 0 25 -3,-2.1 3,-0.9 568,-0.1 -1,-0.2 -0.080 63.3 162.0-149.5 42.5 -27.1 -48.6 -39.4 23 24 A V T 3 S+ 0 0 47 566,-1.3 568,-0.3 -3,-0.2 3,-0.1 -0.354 70.0 13.3 -71.3 148.7 -28.0 -44.9 -39.2 24 25 A N T 3 S+ 0 0 118 1,-0.2 2,-0.3 566,-0.1 -1,-0.2 0.797 110.1 99.2 58.1 34.6 -31.1 -43.8 -37.2 25 26 A E S < S- 0 0 29 -3,-0.9 -1,-0.2 -6,-0.1 2,-0.1 -0.944 78.9 -98.5-140.0 155.3 -31.3 -47.3 -35.6 26 27 A N - 0 0 3 -2,-0.3 2,-0.4 262,-0.1 354,-0.2 -0.437 30.7-160.0 -71.4 154.7 -30.3 -48.7 -32.3 27 28 A I E +A 379 0A 0 352,-1.7 352,-1.6 -2,-0.1 2,-0.3 -0.997 18.6 160.9-133.5 133.3 -27.1 -50.6 -32.0 28 29 A I E +A 378 0A 0 -2,-0.4 302,-0.4 350,-0.2 2,-0.3 -0.918 11.4 147.2-148.8 125.7 -26.4 -53.1 -29.1 29 30 A Y E -A 377 0A 0 348,-2.5 348,-0.6 -2,-0.3 301,-0.1 -0.980 42.6-115.0-154.4 163.8 -23.8 -55.8 -29.2 30 31 A S > - 0 0 0 -2,-0.3 4,-2.8 346,-0.2 5,-0.2 -0.877 15.9-172.9-110.5 105.1 -21.4 -57.6 -26.9 31 32 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.901 89.6 52.8 -53.6 -44.4 -17.7 -57.1 -27.4 32 33 A L H > S+ 0 0 5 342,-1.3 4,-2.5 343,-0.2 5,-0.2 0.915 110.9 45.0 -62.2 -45.3 -16.9 -59.7 -24.8 33 34 A S H > S+ 0 0 0 342,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.943 117.3 46.0 -60.9 -51.0 -19.1 -62.4 -26.4 34 35 A I H X S+ 0 0 2 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.912 114.9 46.0 -59.9 -45.4 -17.8 -61.5 -29.9 35 36 A I H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 -1,-0.2 0.869 107.4 57.1 -69.7 -35.2 -14.2 -61.5 -28.8 36 37 A S H X S+ 0 0 10 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.954 112.2 42.6 -56.4 -50.7 -14.4 -64.7 -26.8 37 38 A I H >X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 3,-1.1 0.975 114.1 47.9 -64.7 -57.4 -15.6 -66.7 -29.8 38 39 A L H 3X S+ 0 0 2 -4,-2.2 4,-3.1 1,-0.3 -1,-0.2 0.920 107.7 61.2 -44.7 -46.7 -13.2 -65.1 -32.3 39 40 A S H 3X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.3 0.856 101.3 51.0 -45.8 -46.4 -10.6 -65.9 -29.6 40 41 A M H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.9 0.909 104.7 64.6 -53.4 -45.4 -10.9 -69.7 -33.6 42 43 A F H >< S+ 0 0 4 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.885 99.2 54.1 -44.0 -48.5 -7.7 -67.6 -33.1 43 44 A L H 3< S+ 0 0 6 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.832 115.3 37.9 -56.0 -38.9 -6.2 -70.7 -31.2 44 45 A G H << S+ 0 0 0 -4,-1.1 270,-1.8 -3,-0.9 271,-0.4 0.532 94.9 94.9 -93.0 -10.3 -6.9 -73.0 -34.1 45 46 A A << - 0 0 0 -4,-1.7 267,-0.3 -3,-0.6 265,-0.0 -0.654 57.5-171.8 -80.5 141.6 -6.1 -70.5 -36.9 46 47 A R - 0 0 82 265,-2.6 266,-0.1 -2,-0.3 -1,-0.1 0.515 44.1 -0.5-133.3 2.6 -2.5 -71.1 -37.8 47 48 A E S > S- 0 0 135 264,-0.6 4,-3.3 0, 0.0 5,-0.3 -0.134 118.9 -9.0-145.8-112.4 -0.8 -68.7 -40.2 48 49 A N H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.883 134.5 56.7 -59.5 -36.1 -1.6 -65.6 -42.1 49 50 A T H > S+ 0 0 1 260,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 112.4 42.5 -54.7 -45.4 -5.1 -66.4 -41.1 50 51 A K H > S+ 0 0 24 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.951 112.7 47.2 -70.6 -54.3 -3.9 -66.2 -37.5 51 52 A T H X S+ 0 0 68 -4,-3.3 4,-1.3 2,-0.2 -1,-0.2 0.781 114.4 52.0 -70.1 -18.1 -1.6 -63.2 -37.5 52 53 A Q H >X S+ 0 0 32 -4,-1.9 4,-1.4 -5,-0.3 3,-0.7 0.990 112.0 42.9 -65.0 -72.0 -4.5 -61.5 -39.3 53 54 A M H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.825 111.1 58.8 -33.3 -51.4 -7.1 -62.5 -36.6 54 55 A E H 3X>S+ 0 0 28 -4,-3.3 5,-1.9 1,-0.2 4,-1.4 0.934 105.5 46.9 -46.5 -56.5 -4.5 -61.6 -34.0 55 56 A K H <<5S+ 0 0 132 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.786 115.0 46.8 -62.8 -29.7 -4.2 -58.0 -35.2 56 57 A V H <5S+ 0 0 8 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 116.2 42.5 -81.6 -36.1 -8.0 -57.6 -35.4 57 58 A I H <5S- 0 0 0 -4,-2.4 -47,-0.2 -5,-0.2 -2,-0.2 0.569 108.7-127.0 -82.5 -18.2 -8.7 -59.0 -32.0 58 59 A H T <5 + 0 0 16 -4,-1.4 4,-0.3 -5,-0.3 3,-0.2 0.851 69.4 131.0 65.8 43.2 -5.8 -57.1 -30.5 59 60 A F >< + 0 0 0 -5,-1.9 4,-1.0 1,-0.2 3,-0.4 0.598 57.6 78.6 -97.8 -14.7 -4.1 -60.0 -28.9 60 61 A D T 4 S+ 0 0 55 -6,-0.8 -1,-0.2 1,-0.2 -5,-0.1 0.793 94.8 53.0 -49.8 -28.8 -0.9 -58.9 -30.5 61 62 A K T 4 S+ 0 0 118 -7,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.768 99.4 58.2 -83.5 -29.6 -0.9 -56.4 -27.6 62 63 A I T 4 S+ 0 0 10 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 0.782 89.5 82.7 -74.4 -29.0 -1.3 -58.9 -24.7 63 64 A T S < S- 0 0 20 -4,-1.0 2,-0.1 -3,-0.1 5,-0.1 -0.650 76.3-138.7 -83.0 124.2 1.8 -60.8 -25.5 64 65 A G - 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