==== 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 1JV8 . 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) . 4011.0 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 . 6 10.3 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 . 8 13.8 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+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 53,-0.0 0.000 360.0 360.0 360.0 165.5 13.0 -4.0 4.6 2 2 A P - 0 0 35 0, 0.0 4,-0.2 0, 0.0 55,-0.1 -0.130 360.0-135.7 -66.1 165.9 9.7 -5.9 5.1 3 3 A D S > S+ 0 0 119 2,-0.2 4,-1.2 1,-0.1 3,-0.5 0.657 94.5 74.8 -99.4 -18.6 8.4 -8.2 2.3 4 4 A F T 4 S+ 0 0 53 1,-0.2 19,-0.2 2,-0.2 -1,-0.1 0.803 97.7 50.9 -66.1 -21.2 4.8 -7.1 2.4 5 5 A a T 4 S+ 0 0 0 1,-0.2 20,-0.6 17,-0.1 -1,-0.2 0.745 101.4 60.9 -85.3 -22.0 5.9 -4.0 0.6 6 6 A L T 4 S+ 0 0 50 -3,-0.5 19,-0.3 -4,-0.2 -2,-0.2 0.796 95.5 78.1 -74.1 -24.4 7.7 -6.0 -2.0 7 7 A E S < S- 0 0 92 -4,-1.2 18,-0.2 1,-0.1 16,-0.2 -0.374 94.9 -95.7 -79.7 164.0 4.3 -7.6 -2.9 8 8 A P - 0 0 78 0, 0.0 35,-0.1 0, 0.0 -1,-0.1 -0.242 47.0 -89.9 -74.0 167.4 1.8 -5.8 -5.1 9 9 A P - 0 0 43 0, 0.0 2,-0.3 0, 0.0 35,-0.1 -0.121 32.6-139.3 -70.2 172.3 -1.1 -3.8 -3.6 10 10 A Y - 0 0 116 33,-0.3 26,-0.5 1,-0.1 31,-0.2 -0.738 15.4-171.1-140.8 93.6 -4.5 -5.5 -2.8 11 11 A T - 0 0 59 -2,-0.3 27,-0.4 24,-0.2 5,-0.1 0.807 38.9-164.5 -52.7 -23.1 -7.7 -3.5 -3.6 12 12 A G - 0 0 17 23,-0.1 27,-0.1 -3,-0.1 -1,-0.1 -0.130 31.8 -43.8 65.5-170.2 -9.2 -6.4 -1.7 13 13 A P S S+ 0 0 52 0, 0.0 3,-0.3 0, 0.0 25,-0.3 0.279 102.7 60.7 -72.7-155.6 -13.0 -7.1 -1.9 14 14 A b S S- 0 0 78 1,-0.2 23,-0.1 23,-0.1 22,-0.0 -0.107 85.9-104.9 62.3-168.7 -15.6 -4.3 -1.7 15 15 A K + 0 0 175 21,-0.3 -1,-0.2 2,-0.0 22,-0.1 0.136 61.1 145.2-142.4 20.8 -15.7 -1.6 -4.3 16 16 A A - 0 0 28 20,-0.6 21,-0.1 -3,-0.3 2,-0.1 -0.035 37.7-148.7 -55.2 167.9 -14.2 1.5 -2.5 17 17 A R + 0 0 201 17,-0.1 2,-0.3 19,-0.1 19,-0.1 -0.476 35.4 146.2-142.4 69.2 -12.0 3.8 -4.5 18 18 A I E -A 35 0A 50 17,-1.0 17,-1.9 -2,-0.1 2,-1.3 -0.810 48.4-128.7-107.3 148.6 -9.4 5.5 -2.3 19 19 A I E +A 34 0A 103 -2,-0.3 15,-0.2 15,-0.2 -2,-0.0 -0.600 44.5 164.2 -94.3 78.5 -5.8 6.4 -3.4 20 20 A R E -A 33 0A 63 -2,-1.3 13,-1.7 13,-1.1 2,-0.4 -0.172 34.9-107.7 -83.5-176.5 -3.8 4.7 -0.7 21 21 A Y E +AB 32 45A 67 24,-4.0 24,-4.2 11,-0.2 2,-0.3 -0.916 33.7 174.3-118.5 144.5 0.0 4.0 -0.9 22 22 A F E -A 31 0A 19 9,-2.4 9,-2.6 -2,-0.4 2,-0.7 -0.927 36.5-101.8-139.4 163.4 1.9 0.7 -1.4 23 23 A Y E -A 30 0A 4 -2,-0.3 2,-1.2 7,-0.3 7,-0.3 -0.770 24.2-157.9 -93.4 117.2 5.5 -0.2 -1.9 24 24 A N E >>> -A 29 0A 34 5,-1.9 3,-3.2 -2,-0.7 4,-1.9 -0.702 1.2-162.5 -91.1 92.2 6.4 -1.0 -5.6 25 25 A A T 345S+ 0 0 48 -2,-1.2 -1,-0.2 -20,-0.6 -19,-0.1 0.838 94.3 56.2 -44.6 -29.5 9.6 -3.2 -5.1 26 26 A K T 345S+ 0 0 190 1,-0.2 -1,-0.3 -20,-0.1 -2,-0.1 0.786 109.6 44.2 -75.2 -23.9 10.2 -2.4 -8.8 27 27 A A T <45S- 0 0 32 -3,-3.2 -2,-0.2 2,-0.3 -1,-0.2 0.663 103.4-130.3 -93.0 -16.8 10.0 1.4 -8.0 28 28 A G T <5S+ 0 0 31 -4,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.417 86.3 37.5 83.1 -5.7 12.2 1.1 -4.9 29 29 A L E > S- 0 0 48 -26,-0.1 4,-1.5 1,-0.1 3,-0.7 -0.980 77.9-118.5-142.2 155.7 0.6 8.7 2.9 48 48 A A H 3> S+ 0 0 50 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.840 118.2 55.0 -62.7 -28.5 3.9 8.3 1.2 49 49 A E H 3> S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.784 102.2 56.8 -75.9 -23.8 5.6 9.1 4.5 50 50 A D H <> S+ 0 0 67 -3,-0.7 4,-0.6 2,-0.2 -2,-0.2 0.878 108.9 46.4 -74.3 -34.0 3.6 6.3 6.2 51 51 A c H >X S+ 0 0 0 -4,-1.5 4,-3.7 2,-0.2 3,-0.8 0.949 112.5 49.3 -71.7 -48.5 5.1 3.8 3.7 52 52 A M H 3X S+ 0 0 89 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.978 104.9 56.0 -56.0 -57.5 8.6 5.1 4.1 53 53 A R H 3< S+ 0 0 217 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.792 122.9 31.7 -47.3 -24.0 8.6 5.0 7.9 54 54 A T H << S+ 0 0 63 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.872 139.6 14.7 -99.5 -63.7 7.7 1.3 7.4 55 55 A a H < S+ 0 0 0 -4,-3.7 2,-0.8 -5,-0.2 -3,-0.2 -0.055 85.8 122.6-103.7 34.1 9.4 0.1 4.2 56 56 A G < + 0 0 42 -4,-2.4 -1,-0.1 -5,-0.3 -4,-0.1 -0.158 35.7 112.9 -87.2 44.9 11.8 3.0 3.9 57 57 A G 0 0 43 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 -0.303 360.0 360.0-110.1 50.4 14.8 0.7 3.9 58 58 A A 0 0 120 -2,-0.1 -1,-0.2 -30,-0.1 -2,-0.0 -0.120 360.0 360.0-123.3 360.0 16.0 1.2 0.3