==== 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 2GKR . 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) . 3601.0 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 0 101 0, 0.0 2,-0.7 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 157.9 13.9 -7.8 3.9 2 7 I D + 0 0 104 1,-0.1 3,-0.2 2,-0.0 31,-0.1 -0.618 360.0 167.3 -81.3 115.4 16.0 -7.3 0.8 3 8 I a > + 0 0 24 -2,-0.7 3,-1.9 1,-0.2 -1,-0.1 0.104 36.5 122.1-111.0 24.9 16.0 -3.6 -0.2 4 9 I S T 3 + 0 0 86 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.803 68.9 57.5 -59.4 -36.3 18.9 -3.9 -2.7 5 10 I E T 3 S+ 0 0 144 -3,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.272 98.8 133.2 -81.1 13.8 16.8 -2.6 -5.7 6 11 I Y < + 0 0 37 -3,-1.9 2,-0.1 27,-0.1 28,-0.1 -0.751 21.9 56.4-119.9 158.1 16.1 0.6 -3.8 7 12 I P - 0 0 89 0, 0.0 24,-0.1 0, 0.0 27,-0.0 0.517 64.5-178.2 -78.3 154.4 16.0 3.6 -3.7 8 13 I K - 0 0 78 22,-0.2 -2,-0.1 -2,-0.1 26,-0.0 -0.955 31.0-131.8-118.3 142.8 13.5 4.0 -6.6 9 14 I P S S+ 0 0 147 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.695 89.8 25.7 -71.3 -16.7 12.4 7.5 -7.7 10 15 I A - 0 0 75 -3,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.975 66.0-154.2-140.9 151.1 8.7 6.5 -7.8 11 16 I b - 0 0 34 -2,-0.3 2,-0.0 19,-0.0 17,-0.0 -0.948 22.9-119.7-119.4 148.5 6.6 3.9 -6.1 12 17 I T - 0 0 94 -2,-0.3 19,-0.1 1,-0.1 18,-0.1 -0.239 23.1-112.3 -76.9 174.3 3.4 2.4 -7.4 13 18 I L + 0 0 174 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.215 69.3 131.3 -87.6 4.4 -0.0 2.6 -5.8 14 19 I E - 0 0 109 1,-0.1 2,-0.8 2,-0.1 -2,-0.0 -0.531 53.2-142.7 -63.9 120.9 -0.2 -1.2 -4.9 15 20 I Y + 0 0 147 -2,-0.3 13,-0.2 13,-0.1 12,-0.1 -0.832 42.4 146.0-101.0 101.3 -1.2 -1.2 -1.2 16 21 I R - 0 0 163 11,-2.6 33,-0.1 -2,-0.8 -2,-0.1 -0.830 40.9-142.9-135.2 82.5 0.5 -3.9 0.6 17 22 I P + 0 0 25 0, 0.0 32,-2.6 0, 0.0 2,-0.3 -0.199 21.5 179.7 -64.4 145.0 1.1 -2.6 4.1 18 23 I L E -AB 26 48A 2 8,-2.0 8,-2.6 30,-0.3 2,-0.7 -0.997 24.3-127.4-145.6 143.1 4.1 -3.2 6.2 19 24 I c E -AB 25 47A 0 28,-2.9 27,-2.4 -2,-0.3 28,-1.4 -0.819 21.6-150.6 -98.5 116.1 5.0 -2.0 9.6 20 25 I G E > - B 0 45A 0 4,-2.7 3,-2.2 -2,-0.7 25,-0.2 -0.308 31.6-107.0 -76.7 163.4 8.3 -0.3 10.2 21 26 I S T 3 S+ 0 0 61 23,-2.7 24,-0.1 1,-0.3 -1,-0.1 0.575 121.4 63.8 -65.4 -10.1 10.3 -0.4 13.4 22 27 I D T 3 S- 0 0 81 22,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.336 118.2-112.8 -88.3 1.7 9.2 3.3 13.7 23 28 I N S < S+ 0 0 123 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.652 74.5 134.4 64.6 23.1 5.5 2.2 14.0 24 29 I K - 0 0 118 26,-0.0 -4,-2.7 -4,-0.0 2,-0.9 -0.849 55.4-135.7 -91.7 137.3 4.7 3.7 10.6 25 30 I T E -A 19 0A 48 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.823 23.2-152.8 -91.9 104.5 2.6 1.5 8.3 26 31 I Y E -A 18 0A 16 -8,-2.6 -8,-2.0 -2,-0.9 23,-0.1 -0.514 15.2-127.7 -76.9 147.3 4.3 2.0 4.9 27 32 I G S S- 0 0 19 -10,-0.2 -11,-2.6 -2,-0.2 2,-0.3 0.715 77.9 -19.9 -72.3 -26.8 2.0 1.5 1.9 28 33 I N S > S- 0 0 12 -13,-0.2 4,-2.3 -10,-0.1 5,-0.1 -0.955 76.5 -82.8-167.6 174.6 4.2 -1.0 0.1 29 34 I K H > S+ 0 0 82 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.848 121.9 57.7 -59.1 -36.6 7.7 -2.4 -0.1 30 35 I b H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -22,-0.2 0.949 109.1 44.0 -61.3 -48.9 8.9 0.4 -2.3 31 36 I N H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.912 116.3 48.3 -64.0 -40.1 7.9 3.1 0.2 32 37 I F H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.944 112.7 46.5 -62.7 -52.8 9.4 1.1 3.0 33 38 I a H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.2 0.877 109.2 54.3 -62.3 -37.9 12.7 0.4 1.3 34 39 I N H X S+ 0 0 38 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.918 110.2 48.5 -58.6 -39.9 13.0 4.0 0.2 35 40 I A H X S+ 0 0 13 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.856 106.5 56.5 -68.2 -35.6 12.6 5.0 3.9 36 41 I V H <>S+ 0 0 25 -4,-2.2 5,-2.3 1,-0.2 6,-0.4 0.952 110.8 43.9 -58.7 -46.3 15.2 2.4 4.9 37 42 I V H ><5S+ 0 0 59 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.918 112.7 51.8 -62.1 -50.4 17.7 4.1 2.6 38 43 I E H 3<5S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 106.8 55.0 -54.6 -39.0 16.7 7.6 3.7 39 44 I S T ><5S- 0 0 28 -4,-2.3 3,-0.6 -5,-0.1 -1,-0.3 0.392 114.1-116.9 -74.1 -1.2 17.2 6.4 7.4 40 45 I N T < 5S- 0 0 149 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.915 73.8 -54.8 59.8 35.8 20.8 5.3 6.7 41 46 I G T 3