==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (TRYPSIN) 18-FEB-95 1BPI . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.PARKIN,B.RUPP,H.HOPE . 58 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 50.0 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 . 7 12.1 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 0 159 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 134.5 31.7 13.3 -12.2 2 2 A P > - 0 0 58 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.331 360.0-113.6 -34.5 144.9 35.0 13.4 -9.8 3 3 A D G > S+ 0 0 131 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.851 115.6 61.5 -50.9 -44.4 36.4 10.0 -9.5 4 4 A F G > S+ 0 0 18 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.752 92.3 66.5 -65.9 -21.2 35.5 9.9 -5.8 5 5 A a G < S+ 0 0 0 -3,-1.5 20,-0.3 1,-0.2 -1,-0.3 0.658 99.1 54.0 -68.6 -16.2 31.8 10.2 -6.7 6 6 A L G < S+ 0 0 110 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.535 88.4 100.6 -93.7 -10.7 32.1 6.8 -8.3 7 7 A E S < S- 0 0 58 -3,-1.0 18,-0.1 -4,-0.4 16,-0.1 -0.447 81.6-104.2 -77.4 147.9 33.5 5.1 -5.1 8 8 A P - 0 0 102 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.380 43.3 -92.9 -64.4 154.0 31.2 3.1 -2.9 9 9 A P - 0 0 47 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.406 39.3-139.7 -68.9 146.5 30.0 4.6 0.3 10 10 A Y + 0 0 89 33,-0.3 31,-0.3 1,-0.2 26,-0.2 -0.912 23.8 180.0-118.6 109.2 32.2 3.7 3.3 11 11 A T - 0 0 69 -2,-0.6 25,-2.2 24,-0.2 27,-0.4 0.918 36.7-160.8 -69.7 -41.1 30.7 2.9 6.6 12 12 A G - 0 0 19 1,-0.2 27,-0.1 23,-0.1 -1,-0.1 -0.245 33.0 -62.8 81.0-177.9 34.1 2.3 8.1 13 13 A P S S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.468 98.9 96.3 -92.7 -3.2 35.2 0.5 11.3 14 14 A b S S- 0 0 47 24,-0.4 23,-0.1 -3,-0.3 24,-0.1 -0.426 70.3-133.7 -87.2 161.7 33.5 2.6 13.9 15 15 A K + 0 0 189 -2,-0.1 22,-0.2 22,-0.1 21,-0.1 0.215 61.8 116.3-115.1 18.8 30.1 1.5 15.3 16 16 A A - 0 0 45 20,-2.5 2,-0.4 2,-0.0 22,-0.1 -0.320 59.3-137.6 -64.5 162.5 28.0 4.8 15.2 17 17 A R + 0 0 222 20,-0.1 2,-0.6 19,-0.1 19,-0.2 -0.803 34.9 165.4-120.5 90.4 24.9 4.9 13.0 18 18 A I E -A 35 0A 60 17,-2.7 17,-3.0 -2,-0.4 2,-0.5 -0.920 33.0-134.4-105.7 117.7 25.2 8.3 11.4 19 19 A I E +A 34 0A 103 -2,-0.6 2,-0.3 15,-0.2 15,-0.2 -0.655 36.5 164.6 -77.8 121.8 22.9 8.8 8.4 20 20 A R E -A 33 0A 43 13,-2.5 13,-2.6 -2,-0.5 2,-0.3 -0.833 34.3-112.0-129.0 166.5 24.8 10.5 5.5 21 21 A Y E -AB 32 45A 79 24,-3.0 24,-2.6 -2,-0.3 2,-0.3 -0.750 29.4-178.9 -96.7 149.8 24.3 11.0 1.8 22 22 A F E -A 31 0A 24 9,-2.6 9,-2.7 -2,-0.3 2,-0.7 -0.969 33.6-109.4-133.4 155.7 26.4 9.3 -0.9 23 23 A Y E -A 30 0A 11 -2,-0.3 2,-1.0 7,-0.3 7,-0.2 -0.742 23.6-155.0 -84.6 119.6 26.2 9.7 -4.7 24 24 A N E >> -A 29 0A 42 5,-2.5 4,-1.8 -2,-0.7 5,-1.4 -0.815 9.2-170.5 -91.9 99.9 25.0 6.4 -6.2 25 25 A A T 45S+ 0 0 43 -2,-1.0 -1,-0.2 -20,-0.3 -19,-0.1 0.799 81.8 58.2 -70.0 -25.5 26.5 6.7 -9.6 26 26 A K T 45S+ 0 0 205 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.916 117.1 34.4 -67.1 -41.3 24.6 3.6 -11.0 27 27 A A T 45S- 0 0 51 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.658 101.8-131.6 -85.7 -23.5 21.3 5.4 -10.1 28 28 A G T <5S+ 0 0 38 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.784 72.5 106.1 76.5 23.3 22.4 8.9 -10.8 29 29 A L E S- 0 0 28 -26,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.979 73.9-123.2-141.9 153.6 23.1 17.0 3.0 48 48 A A H > S+ 0 0 31 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.838 114.6 55.2 -60.3 -36.0 21.5 16.1 -0.4 49 49 A E H > S+ 0 0 128 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.846 106.1 49.5 -67.9 -42.8 22.5 19.6 -1.6 50 50 A D H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.915 113.5 47.8 -56.4 -48.9 26.1 19.1 -0.7 51 51 A c H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.4 0.948 112.7 47.6 -60.9 -43.8 26.1 15.7 -2.6 52 52 A M H X S+ 0 0 120 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.924 110.6 51.1 -65.7 -39.6 24.4 17.1 -5.7 53 53 A R H < S+ 0 0 173 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.915 119.9 35.0 -67.8 -36.0 26.7 20.1 -5.9 54 54 A T H < S+ 0 0 52 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.914 135.8 17.1 -84.0 -40.7 29.8 17.9 -5.7 55 55 A a H < S+ 0 0 0 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.432 98.4 84.5-117.3 -11.6 28.6 14.8 -7.6 56 56 A G S < S- 0 0 19 -4,-2.3 -3,-0.1 -5,-0.4 -1,-0.1 0.548 85.3-131.1 -83.7 -1.9 25.6 15.5 -9.6 57 57 A G 0 0 39 -5,-0.2 -1,-0.2 -4,-0.2 -2,-0.0 -0.353 360.0 360.0 92.8-174.0 27.4 16.8 -12.7 58 58 A A 0 0 181 -2,-0.1 0, 0.0 -57,-0.0 0, 0.0 -0.292 360.0 360.0 -71.0 360.0 27.1 20.0 -15.0