==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 28-AUG-01 1JV9 . COMPND 2 MOLECULE: TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.L.BATTISTE,R.LI,C.WOODWARD . 58 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 48.3 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 . 10 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 1 0 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 . 1 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 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 R 0 0 162 0, 0.0 54,-0.1 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 147.3 13.0 -4.3 5.2 2 2 A P - 0 0 37 0, 0.0 4,-0.2 0, 0.0 52,-0.0 -0.163 360.0-137.0 -68.1 165.9 9.6 -6.0 5.6 3 3 A D S >> S+ 0 0 119 2,-0.1 4,-1.2 1,-0.1 3,-0.6 0.679 95.0 72.6 -99.5 -20.9 8.3 -8.4 2.9 4 4 A F T 34 S+ 0 0 50 1,-0.2 -1,-0.1 2,-0.2 19,-0.1 0.762 96.2 54.8 -66.9 -18.0 4.7 -7.1 2.9 5 5 A a T 34 S+ 0 0 0 1,-0.2 20,-0.5 17,-0.1 -1,-0.2 0.771 100.9 57.7 -84.6 -24.3 6.0 -3.9 1.1 6 6 A L T <4 S+ 0 0 67 -3,-0.6 19,-0.2 -4,-0.2 -2,-0.2 0.805 95.5 81.0 -74.9 -26.6 7.6 -6.0 -1.7 7 7 A E S < S- 0 0 120 -4,-1.2 18,-0.2 1,-0.1 16,-0.1 -0.308 94.2 -92.6 -75.1 164.7 4.2 -7.5 -2.5 8 8 A P - 0 0 89 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 -0.218 48.5 -90.4 -71.7 167.0 1.6 -5.7 -4.7 9 9 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 35,-0.1 -0.128 33.4-126.4 -70.9 172.3 -1.1 -3.6 -3.1 10 10 A Y + 0 0 86 33,-0.6 26,-0.6 1,-0.1 31,-0.2 -0.787 24.2 178.5-128.1 93.9 -4.5 -5.0 -2.2 11 11 A T - 0 0 68 -2,-0.5 27,-0.2 24,-0.2 -1,-0.1 0.791 34.9-165.6 -62.1 -23.0 -7.6 -3.2 -3.7 12 12 A G - 0 0 17 -3,-0.1 27,-0.1 23,-0.1 -1,-0.0 0.090 29.8 -71.9 58.4 176.5 -9.6 -5.9 -1.9 13 13 A P S S+ 0 0 70 0, 0.0 25,-0.1 0, 0.0 3,-0.1 0.728 88.7 96.7 -73.3-117.3 -13.3 -6.5 -2.7 14 14 A b S S- 0 0 66 1,-0.2 23,-0.1 23,-0.1 22,-0.0 0.118 77.5-111.5 52.3-179.9 -15.7 -3.7 -1.5 15 15 A K S S+ 0 0 202 21,-0.3 -1,-0.2 22,-0.0 22,-0.1 0.320 74.8 114.8-129.4 4.6 -16.7 -1.0 -4.0 16 16 A A - 0 0 43 20,-0.6 2,-0.1 -3,-0.1 22,-0.1 -0.243 52.8-149.0 -71.8 166.7 -15.0 2.1 -2.5 17 17 A R + 0 0 220 19,-0.1 2,-0.3 17,-0.1 19,-0.1 -0.541 28.4 160.7-138.7 72.9 -12.2 3.9 -4.4 18 18 A I E -A 35 0A 59 17,-1.4 17,-2.5 -2,-0.1 2,-1.2 -0.662 41.3-125.7 -93.9 150.6 -9.7 5.5 -2.0 19 19 A I E +A 34 0A 104 -2,-0.3 15,-0.2 15,-0.2 2,-0.1 -0.661 41.8 170.9 -95.6 84.0 -6.2 6.4 -3.1 20 20 A R E -A 33 0A 53 13,-1.6 13,-2.5 -2,-1.2 2,-0.3 -0.338 28.6-116.9 -85.9 173.0 -4.0 4.6 -0.5 21 21 A Y E +AB 32 45A 73 24,-3.6 24,-3.9 11,-0.3 2,-0.3 -0.835 30.8 174.8-112.4 151.6 -0.2 4.3 -0.7 22 22 A F E -A 31 0A 20 9,-2.6 9,-3.0 -2,-0.3 2,-0.7 -0.987 37.7 -99.8-149.6 157.7 1.9 1.2 -1.0 23 23 A Y E -A 30 0A 12 -2,-0.3 2,-1.2 7,-0.3 7,-0.3 -0.691 29.4-154.7 -83.8 115.2 5.6 0.3 -1.5 24 24 A N E >>> -A 29 0A 39 5,-2.0 4,-2.7 -2,-0.7 3,-2.0 -0.703 5.5-167.3 -89.8 95.7 6.4 -0.4 -5.1 25 25 A A T 345S+ 0 0 51 -2,-1.2 -1,-0.2 -20,-0.5 -19,-0.1 0.818 91.7 56.7 -52.6 -25.5 9.5 -2.7 -5.0 26 26 A K T 345S+ 0 0 201 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.779 112.8 39.1 -77.5 -24.5 9.7 -2.1 -8.7 27 27 A A T <45S- 0 0 39 -3,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.734 102.7-129.1 -95.7 -25.0 9.9 1.7 -8.1 28 28 A G T <5S+ 0 0 35 -4,-2.7 -3,-0.2 1,-0.4 2,-0.1 0.348 85.4 44.6 93.1 -8.2 12.1 1.6 -5.0 29 29 A L E > S- 0 0 47 -26,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.967 79.1-115.7-140.4 157.5 0.2 8.5 3.2 48 48 A A H 3> S+ 0 0 41 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.812 116.5 59.7 -62.9 -25.8 3.5 8.1 1.3 49 49 A E H 3> S+ 0 0 161 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 103.9 49.1 -72.0 -31.8 5.2 9.1 4.6 50 50 A D H <4 S+ 0 0 60 -3,-0.6 4,-0.4 2,-0.2 -2,-0.2 0.851 113.4 47.1 -75.8 -31.4 3.7 6.2 6.4 51 51 A c H X>S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.8 0.926 118.9 39.3 -74.8 -44.1 4.8 3.8 3.6 52 52 A M H X5S+ 0 0 91 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.922 112.8 54.9 -72.7 -42.2 8.3 5.2 3.5 53 53 A R H <5S+ 0 0 206 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.704 116.9 41.0 -64.8 -14.0 8.6 5.6 7.3 54 54 A T H 45S+ 0 0 57 -4,-0.4 -2,-0.2 -3,-0.2 -1,-0.2 0.876 139.6 4.7 -98.0 -55.9 7.7 1.9 7.4 55 55 A a H <5S+ 0 0 2 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.582 96.8 119.8-106.1 -13.5 9.6 0.2 4.6 56 56 A G << + 0 0 34 -4,-1.3 -27,-0.1 -5,-0.8 -4,-0.0 -0.192 29.9 105.8 -51.7 141.8 11.6 3.2 3.4 57 57 A G 0 0 68 -56,-0.0 -1,-0.1 0, 0.0 -28,-0.0 0.404 360.0 360.0 147.2 53.1 15.4 2.6 3.7 58 58 A A 0 0 139 -30,-0.1 -2,-0.1 -57,-0.0 -29,-0.0 0.590 360.0 360.0-114.0 360.0 17.0 1.9 0.3