==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (KAZAL) 13-MAY-91 3OVO . COMPND 2 MOLECULE: OVOMUCOID THIRD DOMAIN CLEAVED RDI; . SOURCE 2 ORGANISM_SCIENTIFIC: COTURNIX JAPONICA; . AUTHOR D.MUSIL,W.BODE . 56 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 50.0 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 14.3 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 1.8 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 . 6 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 1 A L 0 0 197 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.1 9.1 -12.7 7.0 2 2 A A - 0 0 60 1,-0.2 50,-0.1 48,-0.0 3,-0.0 -0.697 360.0-171.1 -89.3 125.0 6.5 -11.8 4.3 3 3 A A S S+ 0 0 99 -2,-0.7 2,-0.3 48,-0.2 -1,-0.2 0.719 80.7 11.8 -69.3 -29.5 3.9 -14.4 3.5 4 4 A V S S+ 0 0 48 47,-0.5 47,-0.3 48,-0.1 2,-0.3 -0.935 71.2 177.1-142.9 165.4 2.6 -12.2 0.5 5 5 A S - 0 0 96 -2,-0.3 2,-0.3 45,-0.1 45,-0.0 -0.992 18.8-142.5-160.7 169.1 3.9 -9.1 -1.3 6 6 A V - 0 0 35 -2,-0.3 2,-0.9 29,-0.1 45,-0.1 -0.905 39.4 -95.3-137.4 165.7 3.3 -6.7 -4.1 7 7 A D + 0 0 101 -2,-0.3 3,-0.3 1,-0.1 32,-0.1 -0.697 43.9 164.1 -88.3 107.0 5.9 -5.0 -6.3 8 8 A a > + 0 0 29 -2,-0.9 3,-1.4 1,-0.2 -1,-0.1 0.026 37.0 117.1 -99.7 19.2 6.8 -1.6 -5.0 9 9 A S T 3 S+ 0 0 93 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.781 72.7 51.4 -67.5 -18.2 10.0 -1.2 -7.1 10 10 A E T 3 S+ 0 0 141 -3,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.199 96.4 152.1-104.8 27.0 8.8 1.8 -9.1 11 11 A Y < + 0 0 35 -3,-1.4 2,-0.1 28,-0.1 -3,-0.0 -0.671 26.3 58.7-101.4 158.8 7.8 3.7 -6.2 12 12 A P - 0 0 95 0, 0.0 28,-0.1 0, 0.0 3,-0.0 0.415 62.4-179.6 -82.4 157.0 7.4 6.4 -5.0 13 13 A K - 0 0 76 23,-0.2 -2,-0.1 -2,-0.1 3,-0.0 -0.956 29.7-138.2-128.3 132.1 4.9 7.8 -7.4 14 14 A P S S+ 0 0 149 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.775 83.6 51.8 -65.7 -18.2 3.4 11.4 -7.1 15 15 A A + 0 0 70 -3,-0.0 3,-0.0 21,-0.0 0, 0.0 -0.947 34.3 151.8-130.5 148.1 -0.0 10.2 -7.9 16 16 A b - 0 0 28 -2,-0.5 18,-0.0 -3,-0.0 -3,-0.0 -0.813 63.6 -94.3-148.3 131.2 -2.6 7.6 -7.1 17 17 A P 0 0 119 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.045 360.0 360.0 -62.1 169.1 -6.0 9.3 -8.0 18 18 A K 0 0 262 -3,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.924 360.0 360.0 -72.0 360.0 -8.6 11.2 -6.1 19 ! 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 20 19 A D 0 0 148 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.4 -9.5 1.1 -8.5 21 20 A Y + 0 0 163 13,-0.1 13,-0.2 1,-0.1 12,-0.1 -0.829 360.0 148.8 -91.0 106.9 -10.6 0.6 -4.9 22 21 A R - 0 0 135 11,-2.8 33,-0.1 -2,-0.9 13,-0.1 -0.641 32.9-151.0-148.8 72.2 -8.6 -2.6 -3.9 23 22 A P - 0 0 28 0, 0.0 32,-1.6 0, 0.0 2,-0.3 -0.100 14.3-174.9 -61.1 146.1 -7.8 -2.6 -0.3 24 23 A V E -AB 32 54A 7 8,-2.0 8,-2.1 30,-0.2 2,-0.6 -0.989 23.0-125.6-138.4 148.1 -4.8 -4.2 1.4 25 24 A c E -AB 31 53A 0 28,-2.6 27,-2.2 -2,-0.3 28,-1.4 -0.816 23.7-147.6-108.1 117.0 -3.9 -4.6 5.0 26 25 A G E > - B 0 51A 0 4,-2.8 3,-2.7 -2,-0.6 25,-0.2 -0.459 29.8-106.7 -69.1 166.9 -0.6 -3.3 6.1 27 26 A S T 3 S+ 0 0 57 23,-3.2 24,-0.1 1,-0.3 -1,-0.1 0.617 121.0 63.9 -63.7 -14.3 1.6 -4.7 8.9 28 27 A D T 3 S- 0 0 78 22,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.420 118.9-111.9 -89.9 3.6 0.5 -1.6 10.8 29 28 A N S < S+ 0 0 121 -3,-2.7 2,-0.5 1,-0.3 -2,-0.1 0.660 75.0 135.5 69.2 23.6 -3.1 -2.8 10.8 30 29 A K - 0 0 121 -4,-0.1 -4,-2.8 26,-0.0 2,-1.0 -0.885 55.7-131.1 -99.9 143.9 -4.0 0.0 8.4 31 30 A T E -A 25 0A 59 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.2 -0.740 20.5-159.1 -89.6 109.0 -6.2 -0.5 5.4 32 31 A Y E -A 24 0A 35 -8,-2.1 -8,-2.0 -2,-1.0 23,-0.1 -0.468 18.9-131.5 -88.6 133.6 -4.6 1.1 2.3 33 32 A S S S- 0 0 45 -10,-0.2 -11,-2.8 -2,-0.2 2,-0.3 0.665 77.3 -15.7 -67.2 -24.7 -7.1 1.8 -0.5 34 33 A N S > S- 0 0 27 -13,-0.2 4,-1.9 -10,-0.1 5,-0.2 -0.977 78.0 -82.4-164.2 179.9 -5.0 0.2 -3.2 35 34 A K H > S+ 0 0 83 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.852 120.6 55.6 -66.7 -33.6 -1.5 -1.0 -4.1 36 35 A b H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.968 108.5 46.7 -69.4 -40.4 -0.2 2.5 -5.0 37 36 A N H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 114.4 48.3 -60.7 -43.9 -1.1 4.0 -1.7 38 37 A F H X S+ 0 0 5 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.954 110.9 49.7 -63.5 -48.4 0.5 1.0 0.1 39 38 A a H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.3 -2,-0.2 0.869 109.4 50.6 -65.2 -33.8 3.7 1.2 -1.9 40 39 A N H X S+ 0 0 24 -4,-2.5 4,-3.4 -5,-0.2 -1,-0.2 0.894 111.1 51.9 -68.7 -34.8 4.1 4.9 -1.3 41 40 A A H X S+ 0 0 16 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.3 0.924 106.1 52.5 -63.4 -42.4 3.6 4.1 2.3 42 41 A V H <>S+ 0 0 25 -4,-2.8 5,-2.6 2,-0.2 7,-0.4 0.936 113.2 43.6 -59.8 -44.4 6.3 1.4 2.2 43 42 A V H ><5S+ 0 0 44 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.930 111.5 55.0 -68.6 -39.9 8.8 3.9 0.7 44 43 A E H 3<5S+ 0 0 158 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.867 108.8 47.1 -62.2 -27.9 7.7 6.6 3.2 45 44 A S T ><5S- 0 0 38 -4,-2.5 3,-0.9 -5,-0.1 -1,-0.3 0.343 114.9-117.3 -86.3 -1.1 8.4 4.3 6.1 46 45 A N T < 5S- 0 0 154 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.881 75.1 -50.3 56.3 48.3 11.9 3.3 4.6 47 46 A G T 3