==== 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 1TUS . COMPND 2 MOLECULE: OVOMUCOID; . SOURCE 2 ORGANISM_SCIENTIFIC: MELEAGRIS GALLOPAVO; . AUTHOR W.F.WALKENHORST,A.M.KREZEL,G.I.RHYU,J.L.MARKLEY . 56 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 39.3 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 . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.6 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 0 222 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.8 -1.6 20.8 -1.6 2 2 A A + 0 0 96 2,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.344 360.0 157.1 -62.1 129.8 -1.3 17.9 -3.9 3 3 A A + 0 0 91 -2,-0.1 2,-0.1 2,-0.1 -1,-0.0 -0.859 6.4 169.7-154.5 103.3 0.9 15.0 -2.8 4 4 A V + 0 0 68 -2,-0.3 2,-0.2 47,-0.0 47,-0.1 -0.468 35.4 95.7-126.7 68.9 0.2 11.6 -4.3 5 5 A S - 0 0 85 -2,-0.1 2,-0.2 48,-0.1 -2,-0.1 -0.702 50.0-137.4-144.2-175.6 2.9 9.1 -3.5 6 6 A V - 0 0 31 -2,-0.2 2,-0.1 33,-0.0 -2,-0.0 -0.623 14.4-123.0-146.1-175.2 3.5 6.3 -1.0 7 7 A D + 0 0 146 -2,-0.2 32,-0.0 1,-0.1 -2,-0.0 -0.598 44.0 142.8-146.0 63.9 6.1 4.6 1.2 8 8 A a + 0 0 12 -2,-0.1 2,-1.8 2,-0.1 3,-0.2 -0.087 19.8 129.4-117.1 42.5 6.5 0.9 0.4 9 9 A S S S+ 0 0 130 1,-0.2 -1,-0.0 33,-0.0 30,-0.0 -0.584 78.0 48.8 -89.8 61.6 10.2 0.3 0.9 10 10 A E S S+ 0 0 149 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.007 94.6 133.1-173.0 -24.4 9.4 -2.6 3.2 11 11 A Y + 0 0 48 -3,-0.2 -1,-0.3 2,-0.0 2,-0.1 -0.077 20.3 86.3 -58.2 158.1 6.9 -4.5 1.0 12 12 A P - 0 0 75 0, 0.0 28,-0.1 0, 0.0 24,-0.1 0.328 58.2-162.4 -86.7 154.5 6.1 -7.1 -0.0 13 13 A K - 0 0 111 23,-0.2 -2,-0.0 -2,-0.1 3,-0.0 -0.663 24.3-123.9 -88.4 158.7 4.0 -8.3 2.9 14 14 A P S S- 0 0 133 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.687 82.5 -9.7 -76.7 -22.7 3.2 -12.1 3.0 15 15 A A - 0 0 79 2,-0.0 2,-0.3 3,-0.0 -2,-0.0 -0.938 58.7-160.6-171.0 172.9 -0.5 -11.6 3.1 16 16 A b - 0 0 60 -2,-0.3 18,-0.0 -3,-0.0 0, 0.0 -0.972 35.3-100.3-172.3 159.9 -3.4 -9.2 3.5 17 17 A T 0 0 122 -2,-0.3 4,-0.0 1,-0.2 -2,-0.0 -0.064 360.0 360.0-100.3 44.2 -7.1 -8.9 4.4 18 18 A L 0 0 136 3,-0.0 -1,-0.2 16,-0.0 15,-0.0 0.299 360.0 360.0-165.4 360.0 -8.5 -8.6 0.9 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 0 141 0, 0.0 16,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-168.6 -8.5 -3.0 3.2 21 20 A Y + 0 0 120 13,-0.1 -3,-0.0 2,-0.1 11,-0.0 0.716 360.0 119.9 -87.7 -51.6 -10.5 -2.4 -0.0 22 21 A R - 0 0 180 1,-0.1 2,-0.2 33,-0.0 13,-0.1 -0.090 58.7-134.9 -54.1 131.0 -9.9 1.2 -0.9 23 22 A P - 0 0 18 0, 0.0 32,-1.3 0, 0.0 2,-0.2 -0.520 24.6-173.9 -93.7 166.7 -8.3 1.2 -4.3 24 23 A L E -AB 32 54A 7 8,-1.5 8,-1.8 30,-0.2 2,-0.4 -0.777 25.9-119.5-126.3-170.7 -5.5 2.9 -6.2 25 24 A c E -AB 31 53A 2 28,-1.9 27,-1.4 -2,-0.2 28,-1.3 -0.947 24.9-150.0-131.1 119.6 -4.2 2.9 -9.7 26 25 A G E > - B 0 51A 3 4,-2.4 3,-0.6 -2,-0.4 25,-0.2 -0.204 28.5-111.2 -62.1 174.5 -0.7 1.6 -10.4 27 26 A S T 3 S+ 0 0 61 23,-1.9 -1,-0.1 1,-0.2 24,-0.1 0.002 106.8 78.8 -98.1 40.6 1.4 3.0 -13.2 28 27 A D T 3 S- 0 0 55 2,-0.3 -1,-0.2 22,-0.1 3,-0.1 0.045 117.2 -96.3-131.4 13.8 1.0 -0.4 -14.9 29 28 A N S < S+ 0 0 168 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.679 92.5 113.3 69.7 33.6 -2.5 -0.0 -16.3 30 29 A K - 0 0 119 -4,-0.2 -4,-2.4 27,-0.0 -2,-0.3 -0.971 60.7-140.0-139.1 132.4 -3.9 -1.8 -13.3 31 30 A T E -A 25 0A 72 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.355 25.8-136.0 -78.7 154.2 -6.1 -0.8 -10.4 32 31 A Y E -A 24 0A 24 -8,-1.8 -8,-1.5 23,-0.1 3,-0.1 -0.977 9.7-150.1-127.2 126.7 -5.2 -2.2 -7.1 33 32 A G S S- 0 0 34 -2,-0.4 2,-0.3 -10,-0.2 -1,-0.1 0.594 82.6 -4.0 -77.0 -9.2 -7.6 -3.7 -4.6 34 33 A N S > S- 0 0 7 -10,-0.0 4,-2.0 -18,-0.0 3,-0.2 -0.978 76.7 -95.9-159.6 176.2 -5.4 -2.6 -1.7 35 34 A K H > S+ 0 0 81 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.652 120.4 65.3 -61.7 -22.4 -2.0 -1.1 -0.8 36 35 A b H > S+ 0 0 16 2,-0.2 4,-1.4 -16,-0.2 -1,-0.2 0.950 105.6 36.1 -75.7 -43.9 -0.9 -4.7 -0.6 37 36 A N H > S+ 0 0 93 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.829 119.3 54.9 -82.1 -22.8 -1.3 -5.6 -4.2 38 37 A F H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.957 113.6 36.4 -61.9 -67.9 -0.2 -2.1 -5.1 39 38 A a H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.670 112.1 59.5 -69.6 -25.4 3.1 -2.2 -3.2 40 39 A N H X S+ 0 0 37 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.857 107.0 49.2 -65.9 -31.1 3.7 -5.8 -4.0 41 40 A A H X S+ 0 0 18 -4,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.861 111.6 50.3 -69.7 -36.2 3.5 -4.6 -7.6 42 41 A V H X>S+ 0 0 24 -4,-1.4 5,-1.5 2,-0.2 4,-1.2 0.885 108.6 48.0 -65.9 -53.9 6.0 -1.9 -6.7 43 42 A V H ><5S+ 0 0 42 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.971 114.0 49.0 -62.3 -35.3 8.6 -4.1 -5.0 44 43 A E H 3<5S+ 0 0 141 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.757 107.7 56.7 -62.2 -37.2 8.4 -6.4 -8.0 45 44 A S H 3<5S- 0 0 27 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.756 100.9-133.7 -72.2 -24.4 8.8 -3.4 -10.2 46 45 A N T <<5S- 0 0 152 -4,-1.2 -3,-0.2 -3,-1.0 -2,-0.1 0.921 76.9 -45.6 69.1 36.7 12.1 -2.4 -8.6 47 46 A G S