==== 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 1M8C . 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) . 4258.0 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 . 5 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 16.1 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 0 1 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 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.5 -16.2 2.1 -9.0 2 2 A A + 0 0 107 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.725 360.0 91.1-103.3 81.4 -13.1 0.2 -10.0 3 3 A A - 0 0 70 -2,-1.0 2,-0.3 2,-0.0 48,-0.1 -0.743 47.0-172.4-174.2 121.7 -10.3 2.3 -8.5 4 4 A V - 0 0 83 46,-0.4 46,-0.5 -2,-0.2 2,-0.3 -0.799 0.6-173.8-118.1 160.5 -8.6 2.2 -5.1 5 5 A S - 0 0 105 -2,-0.3 2,-0.7 44,-0.1 44,-0.1 -0.914 16.1-147.1-158.3 126.8 -6.1 4.5 -3.5 6 6 A V - 0 0 27 -2,-0.3 2,-0.3 28,-0.1 -2,-0.0 -0.865 18.6-152.4-100.1 111.6 -4.1 4.3 -0.3 7 7 A D >> - 0 0 71 -2,-0.7 4,-0.7 1,-0.1 3,-0.5 -0.662 10.6-155.1 -85.0 136.1 -3.5 7.7 1.3 8 8 A a T 34 S+ 0 0 44 -2,-0.3 5,-0.2 1,-0.2 -1,-0.1 0.032 82.4 84.6 -96.0 24.2 -0.5 8.1 3.5 9 9 A S T 34 S+ 0 0 111 3,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.741 99.1 31.0 -94.0 -30.0 -2.2 10.9 5.3 10 10 A E T <4 S+ 0 0 147 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.0 0.728 126.1 44.6 -97.1 -30.0 -4.1 8.6 7.7 11 11 A Y S < S- 0 0 115 -4,-0.7 -1,-0.2 23,-0.1 27,-0.1 -0.808 77.9-169.9-121.1 88.8 -1.4 5.9 7.8 12 12 A P > - 0 0 62 0, 0.0 3,-2.8 0, 0.0 23,-0.1 -0.341 39.4-109.2 -75.0 157.7 2.0 7.4 8.2 13 13 A K T 3 S+ 0 0 164 1,-0.3 3,-0.2 -5,-0.2 22,-0.1 0.696 122.7 64.4 -58.0 -18.0 5.2 5.4 7.8 14 14 A D T 3 S+ 0 0 156 1,-0.2 -1,-0.3 21,-0.0 2,-0.2 0.229 93.3 68.2 -89.1 12.7 5.4 5.9 11.6 15 15 A A < + 0 0 46 -3,-2.8 2,-0.2 -4,-0.1 -1,-0.2 -0.650 66.6 107.7-133.6 75.4 2.2 3.9 11.9 16 16 A b + 0 0 48 -2,-0.2 2,-0.1 -3,-0.2 4,-0.1 -0.758 36.4 116.7-154.9 100.2 3.0 0.3 11.0 17 17 A T S S- 0 0 104 -2,-0.2 -2,-0.1 2,-0.2 -3,-0.0 -0.226 82.2 -12.0-133.4-137.5 3.2 -2.4 13.7 18 18 A L S S+ 0 0 172 -2,-0.1 2,-1.1 1,-0.1 -2,-0.0 0.786 110.5 97.4 -40.4 -31.4 1.3 -5.5 14.6 19 19 A E + 0 0 132 2,-0.0 2,-0.5 1,-0.0 -2,-0.2 -0.506 57.7 172.1 -66.9 99.4 -1.1 -4.2 12.0 20 20 A Y + 0 0 174 -2,-1.1 13,-0.2 13,-0.1 -2,-0.0 -0.956 10.5 168.1-117.6 129.7 -0.1 -6.1 8.9 21 21 A R - 0 0 137 11,-2.4 2,-0.2 -2,-0.5 -2,-0.0 -0.918 24.0-142.1-144.7 113.6 -1.9 -6.1 5.6 22 22 A P + 0 0 48 0, 0.0 32,-2.4 0, 0.0 2,-0.3 -0.475 25.8 176.7 -75.0 143.3 -0.6 -7.4 2.3 23 23 A L E -AB 31 53A 0 8,-1.5 8,-2.3 30,-0.3 33,-0.5 -0.885 23.2-132.7-140.4 169.4 -1.4 -5.6 -0.9 24 24 A c E -AB 30 52A 1 28,-3.0 28,-2.0 -2,-0.3 27,-1.2 -0.997 17.2-146.9-131.3 131.4 -0.6 -5.7 -4.6 25 25 A G E > - B 0 50A 0 4,-2.0 3,-2.8 -2,-0.4 25,-0.3 -0.556 30.0-111.0 -94.6 160.5 0.5 -2.8 -6.7 26 26 A S T 3 S+ 0 0 75 23,-2.4 24,-0.1 1,-0.3 -1,-0.1 0.729 123.4 57.5 -59.6 -21.9 -0.2 -2.3 -10.4 27 27 A D T 3 S- 0 0 81 22,-0.4 -1,-0.3 2,-0.1 23,-0.1 0.466 127.5-104.4 -86.5 -3.6 3.5 -3.0 -10.9 28 28 A N < + 0 0 118 -3,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.822 66.1 161.6 82.7 35.1 2.9 -6.3 -9.3 29 29 A K - 0 0 89 26,-0.0 -4,-2.0 -4,-0.0 2,-0.9 -0.754 36.1-138.1 -92.4 134.1 4.5 -5.2 -6.0 30 30 A T E -A 24 0A 86 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.818 25.9-171.3 -95.9 104.8 3.8 -7.2 -2.9 31 31 A Y E -A 23 0A 4 -8,-2.3 -8,-1.5 -2,-0.9 3,-0.1 -0.518 23.8-156.0 -92.7 161.9 3.3 -4.9 0.0 32 32 A G S S- 0 0 5 -10,-0.3 -11,-2.4 1,-0.3 2,-0.3 0.514 75.6 -12.9-110.9 -13.3 2.9 -5.8 3.7 33 33 A N S > S- 0 0 16 -13,-0.2 4,-1.8 1,-0.1 -1,-0.3 -0.941 78.1 -84.4-168.9-177.2 0.9 -2.7 4.7 34 34 A K H > S+ 0 0 35 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.787 126.4 54.1 -73.6 -28.9 -0.2 0.7 3.7 35 35 A b H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 109.3 46.9 -70.4 -42.6 3.1 2.1 4.9 36 36 A N H > S+ 0 0 86 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.874 115.9 46.2 -65.6 -38.3 5.0 -0.3 2.7 37 37 A F H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.899 113.5 46.9 -70.2 -43.0 2.8 0.5 -0.2 38 38 A a H X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.788 108.5 59.2 -68.3 -27.9 3.0 4.3 0.4 39 39 A N H X S+ 0 0 90 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.924 112.3 36.9 -65.5 -46.2 6.8 3.7 0.7 40 40 A A H X S+ 0 0 5 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.887 114.3 56.6 -72.4 -41.0 7.0 2.3 -2.8 41 41 A V H >X>S+ 0 0 27 -4,-3.0 5,-2.1 1,-0.3 3,-1.0 0.903 104.9 52.5 -56.0 -43.9 4.4 4.7 -4.1 42 42 A V H ><5S+ 0 0 102 -4,-2.5 3,-0.6 1,-0.3 -1,-0.3 0.871 106.5 53.1 -59.7 -38.4 6.6 7.5 -2.9 43 43 A E H 3<5S+ 0 0 148 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.677 108.2 51.6 -70.1 -17.8 9.4 6.0 -4.8 44 44 A S H <<5S- 0 0 43 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.594 115.1-118.2 -91.9 -15.1 7.1 6.0 -7.8 45 45 A N T <<5S- 0 0 151 -4,-0.9 -3,-0.2 -3,-0.6 -2,-0.1 0.464 73.6 -54.3 89.0 3.9 6.3 9.7 -7.3 46 46 A G S