==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 24-JUL-02 1M8B . COMPND 2 MOLECULE: OVOMUCOID; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.SONG,M.LASKOWSKI JR.,M.A.QASIM,J.L.MARKLEY . 56 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3991.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 51.8 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 . 5 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 10.7 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 0 205 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.8 -15.8 8.4 -0.9 2 2 A A - 0 0 75 1,-0.2 2,-1.0 50,-0.0 0, 0.0 0.956 360.0-176.4 45.6 73.0 -13.9 5.1 -0.5 3 3 A A + 0 0 102 2,-0.0 2,-0.3 49,-0.0 -1,-0.2 -0.781 30.7 118.2-103.7 88.0 -12.3 6.0 2.8 4 4 A V + 0 0 69 -2,-1.0 2,-0.3 46,-0.4 46,-0.2 -0.843 32.2 178.7-140.7 175.6 -10.1 3.1 3.6 5 5 A S - 0 0 89 -2,-0.3 2,-0.3 44,-0.1 48,-0.0 -0.918 23.8-119.0-176.9 152.7 -6.4 2.2 4.1 6 6 A V - 0 0 23 -2,-0.3 2,-0.2 1,-0.1 44,-0.1 -0.682 45.0 -86.8-101.5 156.4 -4.1 -0.6 5.0 7 7 A D + 0 0 88 -2,-0.3 31,-0.1 1,-0.1 -1,-0.1 -0.414 60.5 144.4 -63.1 128.9 -1.8 -0.9 8.0 8 8 A a > + 0 0 17 -2,-0.2 3,-0.6 30,-0.1 -1,-0.1 0.031 35.3 107.5-155.1 25.7 1.5 0.8 7.2 9 9 A S T 3 S+ 0 0 110 1,-0.2 -2,-0.1 32,-0.0 29,-0.0 -0.199 76.4 56.8-102.3 39.2 2.4 2.3 10.6 10 10 A E T 3 S+ 0 0 67 -3,-0.0 -1,-0.2 3,-0.0 -3,-0.0 0.087 91.4 170.1-153.7 22.5 5.1 -0.2 11.3 11 11 A Y < + 0 0 29 -3,-0.6 2,-0.1 27,-0.1 -3,-0.1 -0.589 44.2 48.9-102.9 166.2 7.4 0.2 8.3 12 12 A P S S- 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.474 78.0-167.1 -75.0 146.9 9.8 -0.3 6.9 13 13 A K - 0 0 85 2,-0.2 2,-0.9 22,-0.2 -2,-0.1 -0.735 26.0-132.3-100.4 149.0 9.3 -3.9 7.6 14 14 A D S S+ 0 0 175 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.399 85.4 38.2 -95.1 54.9 11.9 -6.6 7.1 15 15 A A - 0 0 69 -2,-0.9 2,-0.3 20,-0.1 -2,-0.2 -0.962 64.2-147.6-179.8 177.4 9.5 -8.9 5.3 16 16 A b - 0 0 76 -2,-0.3 2,-0.4 20,-0.0 -2,-0.0 -0.831 25.8 -94.9-149.8-175.4 6.7 -9.1 2.8 17 17 A T - 0 0 65 -2,-0.3 18,-0.1 2,-0.2 -2,-0.0 -0.877 8.5-150.5-115.1 146.7 3.6 -11.2 2.0 18 18 A L S S+ 0 0 161 -2,-0.4 -1,-0.1 2,-0.1 0, 0.0 0.713 75.6 92.5 -83.2 -23.5 3.2 -14.1 -0.4 19 19 A E S S- 0 0 120 1,-0.1 2,-0.5 -3,-0.0 -2,-0.2 -0.231 78.7-121.9 -68.2 160.3 -0.4 -13.1 -1.0 20 20 A Y + 0 0 166 13,-0.1 13,-0.2 14,-0.0 -1,-0.1 -0.936 37.3 160.6-112.1 121.0 -1.3 -10.9 -3.9 21 21 A R - 0 0 165 11,-2.1 2,-0.3 -2,-0.5 10,-0.0 -0.831 24.0-152.7-143.3 100.0 -3.2 -7.6 -3.1 22 22 A P - 0 0 28 0, 0.0 32,-2.2 0, 0.0 2,-0.3 -0.547 20.0-178.0 -75.0 132.6 -3.2 -4.9 -5.7 23 23 A L E -AB 31 53A 0 8,-1.6 8,-2.1 -2,-0.3 2,-0.4 -0.815 21.0-142.3-126.7 166.6 -3.6 -1.4 -4.3 24 24 A c E -AB 30 52A 2 28,-2.3 28,-1.9 -2,-0.3 27,-1.9 -0.947 17.3-149.9-136.0 111.7 -3.9 2.1 -5.8 25 25 A G E > - B 0 50A 1 4,-2.7 3,-1.6 -2,-0.4 25,-0.2 -0.137 33.0-103.3 -72.2 172.4 -2.3 5.0 -4.0 26 26 A S T 3 S+ 0 0 74 23,-2.7 24,-0.1 1,-0.3 -1,-0.1 0.723 124.7 58.2 -68.8 -21.8 -3.5 8.6 -4.1 27 27 A D T 3 S- 0 0 80 22,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.137 127.0-102.9 -93.0 18.2 -0.7 9.3 -6.5 28 28 A N < + 0 0 111 -3,-1.6 2,-0.9 1,-0.2 -2,-0.2 0.784 69.9 159.6 65.0 27.5 -2.2 6.7 -8.8 29 29 A K - 0 0 116 27,-0.0 -4,-2.7 8,-0.0 2,-0.4 -0.755 28.3-154.3 -87.7 105.4 0.6 4.4 -7.6 30 30 A T E -A 24 0A 66 -2,-0.9 2,-0.3 -6,-0.2 -6,-0.2 -0.687 15.2-173.2 -84.0 127.6 -0.4 0.9 -8.2 31 31 A Y E -A 23 0A 27 -8,-2.1 -8,-1.6 -2,-0.4 3,-0.1 -0.763 29.5-141.2-118.1 164.3 1.1 -1.7 -6.0 32 32 A G S S+ 0 0 26 1,-0.3 -11,-2.1 -2,-0.3 2,-0.3 0.806 86.1 5.9 -91.0 -36.5 1.1 -5.5 -5.8 33 33 A N S >> S- 0 0 23 -13,-0.2 4,-2.2 -11,-0.1 3,-0.6 -0.959 73.9-109.1-145.4 160.1 0.9 -5.8 -2.0 34 34 A K H 3> S+ 0 0 77 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.644 116.5 68.3 -63.4 -13.6 0.5 -3.6 1.0 35 35 A b H 3> S+ 0 0 7 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.947 104.2 38.0 -69.9 -50.6 4.1 -4.5 1.6 36 36 A N H <> S+ 0 0 99 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.903 119.1 49.9 -66.2 -42.7 5.3 -2.5 -1.4 37 37 A F H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 108.8 51.5 -61.6 -45.7 2.7 0.2 -0.8 38 38 A a H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.4 0.935 108.0 51.9 -56.5 -49.0 3.8 0.5 2.9 39 39 A N H X S+ 0 0 71 -4,-2.2 4,-1.8 1,-0.3 -1,-0.3 0.823 109.7 51.3 -56.6 -32.2 7.4 0.8 1.8 40 40 A A H X S+ 0 0 20 -4,-1.4 4,-1.6 2,-0.2 6,-0.3 0.866 109.5 49.9 -72.4 -38.0 6.1 3.6 -0.5 41 41 A V H ><>S+ 0 0 15 -4,-2.3 5,-3.8 2,-0.2 3,-0.6 0.981 114.5 41.5 -63.3 -59.7 4.3 5.3 2.4 42 42 A V H ><5S+ 0 0 42 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.873 115.1 53.4 -55.3 -39.4 7.3 5.2 4.7 43 43 A E H 3<5S+ 0 0 150 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.813 104.7 55.3 -65.2 -31.2 9.4 6.2 1.7 44 44 A S T X<5S- 0 0 48 -4,-1.6 3,-2.3 -3,-0.6 -1,-0.3 -0.117 129.4 -97.7 -93.4 35.3 7.0 9.1 1.1 45 45 A N T < 5S- 0 0 146 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.2 0.693 73.4 -69.4 57.0 17.7 7.6 10.3 4.7 46 46 A G T 3