==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 03-APR-06 2GKT . COMPND 2 MOLECULE: OVOMUCOID; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR T.W.LEE,M.A.QASIM,M.LASKOWSKI JR.,M.N.G.JAMES . 51 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3625.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 2.0 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-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 . 5 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 1 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 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 6 I V 0 0 100 0, 0.0 2,-1.0 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 162.0 13.8 -7.9 3.6 2 7 I D + 0 0 99 1,-0.1 3,-0.3 2,-0.0 31,-0.1 -0.664 360.0 164.0 -85.1 106.4 15.9 -7.3 0.5 3 8 I a > + 0 0 26 -2,-1.0 3,-1.7 1,-0.2 -1,-0.1 0.132 38.0 118.2-101.9 18.8 16.2 -3.6 -0.2 4 9 I S T 3 + 0 0 85 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.803 69.5 56.4 -60.3 -28.6 19.1 -4.0 -2.6 5 10 I E T 3 S+ 0 0 141 -3,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.127 98.3 142.7 -89.8 17.1 17.3 -2.5 -5.6 6 11 I Y < + 0 0 44 -3,-1.7 2,-0.2 27,-0.1 -3,-0.0 -0.816 23.8 52.9-116.7 158.4 16.6 0.8 -3.7 7 12 I P - 0 0 91 0, 0.0 27,-0.0 0, 0.0 23,-0.0 0.441 64.8-175.8 -77.6 153.6 16.3 3.7 -3.5 8 13 I K - 0 0 74 22,-0.2 -2,-0.1 -2,-0.2 26,-0.0 -0.958 28.7-133.7-115.4 140.0 13.8 4.1 -6.4 9 14 I P S S+ 0 0 144 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.647 88.9 24.8 -71.3 -17.4 12.6 7.5 -7.6 10 15 I A - 0 0 75 20,-0.0 2,-0.4 -3,-0.0 0, 0.0 -0.970 65.4-154.5-140.7 150.6 8.9 6.5 -7.7 11 16 I b - 0 0 32 -2,-0.3 2,-0.1 19,-0.0 18,-0.0 -0.945 23.6-119.6-117.5 151.5 6.8 3.9 -5.9 12 17 I T - 0 0 95 -2,-0.4 19,-0.2 1,-0.1 18,-0.1 -0.307 23.0-116.0 -78.2 169.6 3.6 2.4 -7.2 13 18 I L + 0 0 169 2,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.374 66.2 134.9 -87.3 4.0 0.3 2.7 -5.4 14 19 I E - 0 0 111 1,-0.1 2,-0.9 2,-0.1 -2,-0.1 -0.371 54.4-137.1 -61.0 117.1 -0.1 -1.1 -4.7 15 20 I Y + 0 0 157 13,-0.1 13,-0.2 -2,-0.1 -1,-0.1 -0.786 46.4 146.3 -92.0 100.8 -1.2 -1.2 -1.0 16 21 I R - 0 0 165 11,-2.6 13,-0.1 -2,-0.9 33,-0.1 -0.756 39.6-148.6-133.9 75.1 0.7 -4.0 0.8 17 22 I P + 0 0 33 0, 0.0 32,-2.7 0, 0.0 2,-0.3 -0.126 20.0 178.2 -65.9 145.8 1.2 -2.5 4.2 18 23 I L E -AB 26 48A 4 8,-2.0 8,-2.6 30,-0.3 2,-0.6 -0.993 25.4-123.6-147.4 145.2 4.2 -3.3 6.4 19 24 I c E -AB 25 47A 0 28,-3.0 27,-2.4 -2,-0.3 28,-1.3 -0.841 21.9-151.0-101.0 116.0 5.2 -2.1 9.8 20 25 I G E > - B 0 45A 0 4,-2.7 3,-2.2 -2,-0.6 25,-0.2 -0.323 32.6-107.3 -74.6 162.9 8.5 -0.4 10.4 21 26 I S T 3 S+ 0 0 59 23,-2.8 24,-0.1 1,-0.3 -1,-0.1 0.595 121.5 63.9 -64.0 -14.1 10.6 -0.4 13.6 22 27 I D T 3 S- 0 0 82 22,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.329 117.8-112.8 -81.5 -2.0 9.4 3.3 13.9 23 28 I N S < S+ 0 0 122 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.612 74.4 135.2 62.8 25.3 5.7 2.2 14.2 24 29 I K - 0 0 114 26,-0.1 -4,-2.7 -4,-0.0 2,-0.9 -0.823 55.5-135.9 -95.0 135.2 4.9 3.7 10.8 25 30 I T E -A 19 0A 44 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.828 23.3-151.8 -88.7 104.9 2.8 1.5 8.5 26 31 I Y E -A 18 0A 23 -8,-2.6 -8,-2.0 -2,-0.9 23,-0.1 -0.522 15.1-127.7 -76.3 145.6 4.5 1.9 5.1 27 32 I A S S- 0 0 33 -10,-0.2 -11,-2.6 -2,-0.2 2,-0.3 0.775 78.5 -22.6 -68.4 -30.8 2.2 1.5 2.1 28 33 I N S > S- 0 0 10 -13,-0.2 4,-2.4 -10,-0.1 5,-0.2 -0.949 76.4 -81.0-165.9 175.9 4.4 -1.1 0.4 29 34 I K H > S+ 0 0 88 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.825 122.9 57.8 -59.9 -37.0 7.9 -2.5 0.2 30 35 I b H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 109.7 43.2 -58.7 -49.5 9.0 0.4 -2.2 31 36 I N H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 116.3 48.8 -63.8 -40.6 8.0 3.0 0.4 32 37 I F H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.946 112.3 46.3 -62.6 -52.7 9.6 1.0 3.2 33 38 I a H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.887 109.7 54.1 -64.0 -36.2 12.9 0.4 1.4 34 39 I N H X S+ 0 0 38 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.917 110.1 48.3 -60.1 -39.5 13.2 4.0 0.4 35 40 I A H X S+ 0 0 16 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.874 107.3 55.8 -67.1 -37.2 12.8 4.9 4.1 36 41 I V H <>S+ 0 0 27 -4,-2.3 5,-1.9 2,-0.2 7,-0.3 0.950 110.6 44.4 -58.1 -49.5 15.4 2.3 5.1 37 42 I V H ><5S+ 0 0 59 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.930 113.0 50.9 -61.2 -46.5 17.9 4.0 2.7 38 43 I E H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.857 106.1 56.4 -59.4 -37.3 16.9 7.5 3.9 39 44 I S T ><5S- 0 0 30 -4,-2.4 3,-1.1 -5,-0.1 -1,-0.3 0.418 111.8-120.1 -70.2 -6.0 17.4 6.4 7.6 40 45 I N T < 5S- 0 0 155 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.891 75.3 -52.0 58.0 41.7 21.0 5.3 6.9 41 46 I G T 3