==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (KAZAL) 13-MAY-91 4OVO . COMPND 2 MOLECULE: OVOMUCOID THIRD DOMAIN CLEAVED RDI; . SOURCE 2 ORGANISM_SCIENTIFIC: LOPHURA NYCTHEMERA; . AUTHOR D.MUSIL,W.BODE . 56 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 42.9 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 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 . 3 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 12.5 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 1 0 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 0 230 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-116.7 -5.6 -1.8 35.5 2 2 A A + 0 0 95 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.776 360.0 178.6 -98.3 159.2 -6.3 -0.0 32.3 3 3 A A - 0 0 87 -2,-0.3 2,-0.6 2,-0.0 0, 0.0 -0.960 36.0-118.2-155.0 167.4 -3.9 2.6 31.3 4 4 A V - 0 0 119 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.937 50.3-179.8-112.6 110.7 -3.0 5.2 28.7 5 5 A S - 0 0 98 -2,-0.6 2,-0.4 2,-0.0 -2,-0.0 -0.917 34.4-136.8-116.2 165.4 0.4 4.3 27.3 6 6 A V - 0 0 36 -2,-0.3 2,-0.5 29,-0.0 45,-0.1 -0.930 24.6-139.0-114.8 129.4 3.3 5.0 24.9 7 7 A D + 0 0 101 -2,-0.4 32,-0.1 1,-0.1 3,-0.1 -0.793 25.8 170.7 -92.5 124.3 4.9 2.2 23.0 8 8 A a > + 0 0 28 -2,-0.5 3,-1.5 1,-0.1 -1,-0.1 0.210 41.3 111.4-117.8 7.9 8.7 2.5 22.9 9 9 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.731 76.0 47.5 -51.7 -52.6 9.6 -0.9 21.5 10 10 A E T 3 S+ 0 0 147 -3,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.133 100.5 131.6 -96.5 32.4 10.8 0.1 18.1 11 11 A Y < + 0 0 26 -3,-1.5 -3,-0.1 28,-0.1 29,-0.1 -0.740 20.1 73.6-115.0 143.6 13.0 2.8 19.6 12 12 A P - 0 0 78 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.298 59.2-174.9 -96.0 138.6 15.8 4.1 19.7 13 13 A K - 0 0 61 1,-0.2 3,-0.1 23,-0.2 27,-0.1 -0.872 14.3-163.7-102.8 117.4 15.6 5.7 16.4 14 14 A P S S+ 0 0 132 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.967 85.6 26.3 -54.8 -70.1 18.9 7.4 15.3 15 15 A A S S+ 0 0 91 -3,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.691 78.1 138.8-101.3 145.0 17.2 9.4 12.7 16 16 A b - 0 0 52 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.842 45.6-138.6-175.5 140.9 13.5 10.3 13.1 17 17 A T 0 0 138 1,-0.4 -1,-0.1 -2,-0.3 0, 0.0 0.937 360.0 360.0 -80.1 -51.8 11.6 13.5 12.3 18 18 A M 0 0 118 18,-0.1 -1,-0.4 17,-0.0 3,-0.0 -0.808 360.0 360.0-127.7 360.0 9.3 13.5 15.4 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 E 0 0 179 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-139.3 2.3 19.5 14.9 21 20 A Y + 0 0 116 13,-0.0 13,-0.1 -3,-0.0 12,-0.0 -0.933 360.0 177.0-105.1 111.1 4.2 19.5 18.3 22 21 A R - 0 0 168 -2,-0.4 13,-0.1 11,-0.2 2,-0.1 -0.790 10.6-168.3-125.2 88.5 3.3 16.8 20.9 23 22 A P - 0 0 15 0, 0.0 32,-2.1 0, 0.0 2,-0.2 -0.352 6.9-154.5 -79.6 165.4 5.3 16.8 24.1 24 23 A L E -AB 32 54A 10 8,-2.8 8,-3.0 30,-0.2 2,-0.5 -0.755 11.5-135.8-126.0 163.9 5.6 14.2 26.9 25 24 A c E -AB 31 53A 1 28,-2.1 28,-2.1 -2,-0.2 27,-1.8 -0.954 22.0-153.5-131.5 110.6 6.5 14.6 30.5 26 25 A G E > - B 0 51A 0 4,-1.8 3,-2.2 -2,-0.5 4,-0.3 -0.314 35.5 -95.4 -75.0 166.8 8.9 12.1 32.0 27 26 A S T 3 S+ 0 0 48 23,-2.7 24,-0.1 1,-0.3 -1,-0.1 0.611 122.4 64.0 -36.5 -41.9 9.2 10.9 35.6 28 27 A D T 3 S- 0 0 54 22,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.312 115.1-110.8 -77.9 -8.1 12.0 13.4 35.9 29 28 A N S < S+ 0 0 125 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.842 75.3 129.2 67.9 47.9 9.8 16.5 35.3 30 29 A K - 0 0 118 -4,-0.3 -4,-1.8 26,-0.0 2,-0.5 -0.932 59.7-124.7-123.8 149.0 11.3 17.3 31.9 31 30 A T E -A 25 0A 53 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.802 20.2-147.0 -97.0 120.6 9.2 17.9 28.9 32 31 A Y E -A 24 0A 37 -8,-3.0 -8,-2.8 -2,-0.5 23,-0.1 -0.919 12.9-134.9 -94.1 119.7 10.2 15.6 26.1 33 32 A G S S- 0 0 21 -2,-0.6 2,-0.3 -10,-0.2 -11,-0.2 0.870 74.7 -24.9 -36.1 -56.3 9.7 17.4 22.8 34 33 A N S > S- 0 0 33 -11,-0.2 4,-1.2 -13,-0.1 -10,-0.2 -0.770 79.1 -78.8-150.7 178.5 8.1 14.5 21.1 35 34 A K H > S+ 0 0 86 -2,-0.3 4,-2.8 2,-0.2 5,-0.4 0.813 124.7 54.0 -61.6 -39.7 7.9 10.8 21.3 36 35 A b H > S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 5,-0.2 0.903 110.7 48.9 -71.1 -24.6 11.2 10.1 19.6 37 36 A N H > S+ 0 0 86 2,-0.1 4,-0.7 1,-0.1 -1,-0.3 0.874 117.1 42.9 -73.3 -36.0 12.7 12.4 22.1 38 37 A F H X S+ 0 0 5 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.945 113.5 44.9 -73.6 -59.1 11.0 10.5 24.9 39 38 A a H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -3,-0.2 0.727 110.5 54.2 -67.9 -24.0 11.4 6.8 24.0 40 39 A N H X S+ 0 0 38 -4,-1.2 4,-2.7 -5,-0.4 -1,-0.2 0.867 111.4 45.0 -72.2 -42.0 15.0 7.1 23.1 41 40 A A H < S+ 0 0 29 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.860 106.7 61.7 -72.0 -24.6 15.9 8.6 26.4 42 41 A V H ><>S+ 0 0 33 -4,-1.8 5,-0.7 1,-0.2 3,-0.6 0.877 110.1 40.2 -70.7 -24.4 13.7 6.0 27.9 43 42 A V H ><5S+ 0 0 61 -4,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.898 113.3 52.0 -84.5 -46.1 16.0 3.3 26.5 44 43 A E T 3<5S+ 0 0 173 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.289 109.9 54.1 -72.5 16.5 19.2 5.2 27.3 45 44 A S T X 5S- 0 0 28 -3,-0.6 3,-1.3 -5,-0.1 -1,-0.2 0.504 89.0-151.3-111.7 -25.0 17.9 5.6 30.9 46 45 A N T < 5S- 0 0 145 -3,-1.2 -3,-0.1 -4,-0.3 -4,-0.1 0.847 73.8 -26.9 39.3 71.1 17.2 1.9 31.7 47 46 A G T 3