==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 06-JAN-00 1DS3 . COMPND 2 MOLECULE: OVOMUCOID; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR K.S.BATEMAN,K.HUANG,S.ANDERSON,W.LU,M.A.QASIM,M.LASKOWSKI JR . 50 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 54.0 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 16.0 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 16.0 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 0 115 0, 0.0 2,-1.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 82.0 -4.6 -6.8 8.7 2 7 I D + 0 0 106 1,-0.1 3,-0.2 2,-0.0 31,-0.1 -0.698 360.0 142.3 -95.1 85.4 -5.7 -7.2 12.4 3 8 I a > + 0 0 18 -2,-1.2 3,-1.5 1,-0.1 -1,-0.1 -0.032 21.9 125.9-108.2 25.8 -6.0 -3.6 13.3 4 9 I S T 3 + 0 0 94 1,-0.3 -1,-0.1 -3,-0.0 -2,-0.0 0.785 68.2 57.6 -58.4 -30.2 -9.1 -4.1 15.5 5 10 I E T 3 S+ 0 0 143 -3,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.071 97.9 157.2 -88.6 22.9 -7.5 -2.4 18.6 6 11 I Y < + 0 0 44 -3,-1.5 2,-0.1 27,-0.1 -3,-0.0 -0.757 25.7 42.9-116.6 163.5 -6.9 0.8 16.7 7 12 I P - 0 0 89 0, 0.0 23,-0.0 0, 0.0 27,-0.0 0.510 63.4-174.2 -81.6 168.9 -6.5 3.6 16.6 8 13 I K - 0 0 66 22,-0.2 -2,-0.1 -2,-0.1 26,-0.0 -0.966 30.0-129.3-125.9 140.9 -4.0 4.1 19.5 9 14 I P S S+ 0 0 145 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.705 88.3 13.7 -64.0 -21.1 -2.7 7.5 20.7 10 15 I A - 0 0 77 -3,-0.0 2,-0.3 20,-0.0 0, 0.0 -0.991 62.9-146.6-152.7 158.3 1.0 6.5 20.5 11 16 I b 0 0 43 -2,-0.3 17,-0.0 -3,-0.0 0, 0.0 -0.951 360.0 360.0-126.7 150.3 3.3 3.8 19.1 12 17 I T 0 0 128 -2,-0.3 19,-0.1 0, 0.0 18,-0.1 -0.391 360.0 360.0 -78.8 360.0 6.5 2.3 20.4 13 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 14 19 I D 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 165.3 10.7 -0.7 17.6 15 20 I Y + 0 0 148 2,-0.1 13,-0.2 13,-0.0 12,-0.1 -0.915 360.0 145.2-123.5 105.1 11.2 -1.1 13.9 16 21 I R - 0 0 169 11,-2.5 13,-0.1 -2,-0.6 10,-0.1 -0.786 42.3-144.3-137.3 80.8 9.3 -3.9 12.2 17 22 I P - 0 0 29 0, 0.0 32,-2.2 0, 0.0 2,-0.4 -0.177 17.4-170.2 -58.5 142.4 8.6 -2.5 8.8 18 23 I L E -AB 26 48A 14 8,-2.2 8,-3.3 30,-0.2 2,-0.7 -0.991 19.7-133.9-130.3 137.6 5.5 -3.1 6.7 19 24 I c E -AB 25 47A 1 28,-2.7 27,-1.9 -2,-0.4 28,-1.6 -0.841 24.9-151.5 -97.6 113.9 5.0 -2.2 3.1 20 25 I G E > - B 0 45A 0 4,-2.5 3,-2.5 -2,-0.7 25,-0.2 -0.407 29.6-107.7 -81.7 159.1 1.6 -0.5 2.5 21 26 I S T 3 S+ 0 0 53 23,-2.6 24,-0.1 1,-0.3 -1,-0.1 0.667 120.5 64.3 -59.1 -14.5 -0.5 -0.5 -0.7 22 27 I D T 3 S- 0 0 65 22,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.346 118.1-113.3 -90.4 6.0 0.6 3.2 -1.0 23 28 I N S < S+ 0 0 126 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.776 74.7 134.1 65.5 29.2 4.2 2.1 -1.3 24 29 I K - 0 0 111 -4,-0.2 -4,-2.5 26,-0.0 2,-0.7 -0.877 56.2-131.4-107.4 140.3 5.1 3.6 2.0 25 30 I T E -A 19 0A 51 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.847 22.8-151.6 -93.7 114.4 7.2 1.7 4.4 26 31 I Y E -A 18 0A 27 -8,-3.3 -8,-2.2 -2,-0.7 23,-0.1 -0.726 14.8-130.1 -88.9 137.8 5.5 1.9 7.8 27 32 I G S S- 0 0 19 -2,-0.3 -11,-2.5 -10,-0.2 2,-0.3 0.763 77.5 -26.6 -55.5 -36.5 7.8 1.6 10.9 28 33 I N S > S- 0 0 4 -13,-0.2 4,-2.4 -10,-0.1 5,-0.2 -0.956 75.9 -78.2-166.9 178.1 5.7 -1.1 12.6 29 34 I K H > S+ 0 0 104 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.861 123.9 56.3 -58.2 -41.2 2.2 -2.5 13.0 30 35 I b H > S+ 0 0 12 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 110.4 43.2 -57.5 -47.7 1.1 0.3 15.2 31 36 I N H > S+ 0 0 73 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.918 116.3 49.2 -66.1 -39.6 2.0 3.0 12.7 32 37 I F H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 3,-0.2 0.964 112.0 47.1 -64.5 -50.4 0.5 1.0 9.9 33 38 I a H X S+ 0 0 1 -4,-3.4 4,-2.2 1,-0.2 5,-0.2 0.933 109.7 52.3 -61.0 -43.4 -2.8 0.3 11.7 34 39 I N H X S+ 0 0 25 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.865 111.1 49.3 -59.2 -36.0 -3.2 4.0 12.7 35 40 I A H X S+ 0 0 17 -4,-1.5 4,-1.2 -3,-0.2 -1,-0.2 0.860 106.1 56.5 -70.5 -35.1 -2.7 4.9 9.1 36 41 I V H <>S+ 0 0 21 -4,-2.3 5,-1.1 1,-0.2 3,-0.5 0.948 109.9 45.1 -61.3 -46.5 -5.3 2.3 8.0 37 42 I V H ><5S+ 0 0 63 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.902 111.9 51.2 -63.9 -41.5 -8.0 3.9 10.2 38 43 I E H 3<5S+ 0 0 161 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.699 104.2 59.9 -69.5 -18.3 -7.1 7.4 9.1 39 44 I S T ><5S- 0 0 28 -4,-1.2 3,-1.1 -3,-0.5 -1,-0.3 0.453 107.3-124.8 -88.4 -3.0 -7.3 6.4 5.5 40 45 I N T < 5S- 0 0 147 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.964 74.3 -46.3 55.8 56.2 -11.0 5.4 5.9 41 46 I G T 3