==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE INHIBITOR 06-JUL-94 1TUR . COMPND 2 MOLECULE: OVOMUCOID; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR A.M.KREZEL,P.DARBA,A.D.ROBERTSON,J.FEJZO,S.MACURA, . 56 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 48.2 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 . 3 5.4 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 0 229 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.7 11.8 13.9 7.4 2 2 A A + 0 0 102 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.559 360.0 145.3 -78.7 97.1 8.2 13.8 6.4 3 3 A A - 0 0 87 -2,-1.5 2,-0.4 2,-0.1 0, 0.0 -0.855 33.9-153.1-115.3 165.5 7.7 10.7 4.1 4 4 A V + 0 0 59 -2,-0.3 46,-0.5 46,-0.3 2,-0.2 -0.999 36.6 125.6-137.0 128.3 4.8 8.3 3.7 5 5 A S - 0 0 76 -2,-0.4 2,-0.1 44,-0.1 -2,-0.1 -0.570 43.4-140.3-176.4 130.2 5.4 4.8 2.5 6 6 A V - 0 0 33 -2,-0.2 2,-0.3 1,-0.1 44,-0.1 -0.443 43.7 -99.7 -87.9 151.0 4.7 1.2 3.4 7 7 A D + 0 0 125 -2,-0.1 31,-0.1 1,-0.1 -1,-0.1 -0.637 42.7 171.9 -79.2 137.7 7.5 -1.3 2.9 8 8 A a > + 0 0 25 -2,-0.3 3,-0.7 3,-0.1 -1,-0.1 -0.057 38.1 116.6-138.6 16.2 7.1 -3.3 -0.3 9 9 A S T 3 S+ 0 0 108 1,-0.2 -1,-0.0 33,-0.0 -2,-0.0 0.589 76.9 56.1 -61.3 -23.7 10.3 -5.2 -0.7 10 10 A E T 3 S+ 0 0 112 -3,-0.0 -1,-0.2 0, 0.0 28,-0.0 -0.185 95.7 164.3-109.6 36.4 8.5 -8.5 -0.4 11 11 A Y < + 0 0 26 -3,-0.7 2,-0.2 27,-0.1 -3,-0.1 -0.906 29.2 35.9-134.8 151.6 5.9 -8.1 -3.2 12 12 A P S S- 0 0 79 0, 0.0 24,-0.1 0, 0.0 23,-0.0 0.457 70.2-157.9 -94.2 162.9 4.0 -9.0 -5.0 13 13 A K - 0 0 88 22,-0.2 3,-0.1 -2,-0.2 -2,-0.1 -0.384 22.0-135.0 -95.4 168.6 2.3 -11.7 -2.9 14 14 A P S S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.556 90.9 19.2 -88.6 -25.1 0.2 -14.7 -4.0 15 15 A A - 0 0 72 20,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.981 69.1-147.8-151.5 150.0 -2.5 -14.1 -1.4 16 16 A b - 0 0 51 -2,-0.3 2,-0.1 -3,-0.1 0, 0.0 -0.982 21.6-119.0-129.2 134.2 -3.7 -11.2 0.8 17 17 A T - 0 0 84 -2,-0.4 18,-0.2 1,-0.1 -2,-0.0 -0.375 30.7-130.8 -62.1 136.6 -5.2 -10.8 4.2 18 18 A L + 0 0 151 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.425 62.0 131.5 -94.9 22.9 -8.6 -9.2 3.7 19 19 A E - 0 0 118 1,-0.1 2,-0.6 2,-0.0 0, 0.0 -0.163 57.2-131.0 -60.7 137.6 -8.1 -6.6 6.4 20 20 A Y + 0 0 160 13,-0.1 13,-0.2 2,-0.0 -1,-0.1 -0.967 49.0 142.6-107.9 111.9 -9.1 -3.3 4.8 21 21 A R - 0 0 189 11,-1.6 33,-0.1 -2,-0.6 10,-0.1 -0.609 41.4-147.1-145.4 68.9 -6.6 -0.5 5.3 22 22 A P - 0 0 17 0, 0.0 32,-1.2 0, 0.0 2,-0.4 -0.166 10.9-162.3 -57.9 150.7 -6.7 1.5 2.1 23 23 A L E -AB 31 53A 7 8,-2.8 8,-2.0 30,-0.2 2,-0.2 -0.976 8.9-149.3-135.0 107.7 -3.6 3.2 0.7 24 24 A c E -AB 30 52A 3 28,-1.9 27,-1.6 30,-0.8 28,-0.9 -0.598 18.0-149.7 -80.3 139.3 -4.0 5.9 -1.9 25 25 A G E > - B 0 50A 0 4,-1.7 3,-0.8 25,-0.2 25,-0.2 -0.428 33.5 -94.0 -94.9-169.0 -1.2 6.2 -4.5 26 26 A S T 3 S+ 0 0 72 23,-1.3 24,-0.1 1,-0.3 22,-0.1 0.864 126.0 64.4 -76.8 -23.8 0.3 9.0 -6.5 27 27 A D T 3 S- 0 0 75 22,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.698 111.7-127.5 -64.9 -23.2 -2.1 7.9 -9.2 28 28 A N S < S+ 0 0 112 -3,-0.8 2,-0.2 1,-0.3 -1,-0.1 0.596 71.3 119.3 71.4 28.7 -4.8 8.9 -6.8 29 29 A K - 0 0 141 27,-0.1 -4,-1.7 -6,-0.0 2,-0.4 -0.686 65.2-107.9-118.1 155.5 -6.5 5.6 -7.0 30 30 A T E -A 24 0A 50 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.763 18.1-162.2 -89.4 141.1 -7.0 3.3 -4.0 31 31 A Y E -A 23 0A 65 -8,-2.0 -8,-2.8 -2,-0.4 6,-0.1 -0.934 27.6-130.1-117.4 129.7 -5.3 0.0 -3.2 32 32 A G S S- 0 0 23 -2,-0.4 -11,-1.6 -10,-0.2 2,-0.2 0.890 74.2 -25.7 -59.7 -29.8 -7.3 -1.9 -0.6 33 33 A N S > S- 0 0 12 -11,-0.2 4,-2.8 -13,-0.2 5,-0.2 -0.684 84.2 -64.4-165.1-171.9 -4.4 -2.5 1.7 34 34 A K H > S+ 0 0 81 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.869 128.6 53.7 -66.6 -16.7 -0.6 -2.9 2.0 35 35 A b H > S+ 0 0 0 2,-0.2 4,-2.4 -18,-0.2 -22,-0.2 0.943 113.6 36.1 -73.4 -60.7 -0.9 -5.9 -0.2 36 36 A N H > S+ 0 0 72 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.863 120.5 51.4 -75.7 -23.8 -2.7 -4.5 -3.1 37 37 A F H X S+ 0 0 2 -4,-2.8 4,-1.5 2,-0.2 3,-0.4 0.970 112.3 43.8 -62.5 -58.4 -0.8 -1.3 -2.7 38 38 A a H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.831 111.9 54.3 -75.6 -20.9 2.6 -2.9 -2.6 39 39 A N H X S+ 0 0 30 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.876 107.3 50.1 -61.8 -51.7 1.7 -5.2 -5.5 40 40 A A H X S+ 0 0 18 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.776 114.3 47.4 -71.1 -13.2 0.7 -2.1 -7.6 41 41 A V H X>S+ 0 0 18 -4,-1.5 5,-1.7 2,-0.2 4,-0.7 0.914 111.0 46.5 -83.8 -51.8 4.1 -0.7 -6.7 42 42 A V H <5S+ 0 0 54 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.842 117.8 44.4 -73.6 -24.7 6.3 -3.7 -7.4 43 43 A E H <5S+ 0 0 160 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.956 108.5 59.0 -71.2 -42.1 4.5 -4.1 -10.7 44 44 A S H ><5S- 0 0 34 -4,-1.2 3,-0.7 -5,-0.3 -2,-0.2 0.614 112.6-126.5 -59.8 -24.4 4.8 -0.4 -11.1 45 45 A N T 3<5 - 0 0 129 -4,-0.7 -3,-0.2 1,-0.2 -1,-0.2 0.721 63.7 -51.0 77.4 39.3 8.6 -0.9 -10.8 46 46 A G T 3