==== 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 SERINE PROTEASE INHIBITOR 11-JUL-91 1BTI . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.HOUSSET,F.TAO,K.-S.KIM,J.FUCHS,C.WOODWARD,A.WLODAWER . 58 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4218.0 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 . 5 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.9 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 0 175 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 121.2 29.1 12.8 -11.2 2 2 A P > - 0 0 57 0, 0.0 3,-3.2 0, 0.0 4,-0.3 -0.590 360.0-105.9 -73.8 142.6 32.4 11.5 -9.5 3 3 A D G > S+ 0 0 130 1,-0.3 3,-1.5 -2,-0.3 4,-0.2 0.626 115.3 60.6 -27.3 -44.9 33.5 7.9 -9.5 4 4 A F G > S+ 0 0 37 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.697 88.2 73.9 -72.4 -14.9 32.6 7.2 -5.8 5 5 A a G < S+ 0 0 0 -3,-3.2 20,-0.3 1,-0.2 -1,-0.3 0.709 95.8 52.9 -64.0 -21.8 29.0 8.1 -6.6 6 6 A L G < S+ 0 0 92 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.486 86.8 96.0 -91.2 -1.9 29.0 4.6 -8.2 7 7 A E S < S- 0 0 122 -3,-1.2 3,-0.1 -4,-0.2 16,-0.1 -0.730 85.5-102.7 -96.1 142.2 30.3 2.6 -5.3 8 8 A P - 0 0 97 0, 0.0 2,-0.2 0, 0.0 35,-0.2 -0.148 46.0 -90.8 -62.8 156.8 27.6 0.9 -3.0 9 9 A P - 0 0 55 0, 0.0 2,-0.7 0, 0.0 35,-0.1 -0.456 40.3-140.9 -68.3 134.8 26.8 2.6 0.3 10 10 A Y - 0 0 86 33,-0.3 31,-0.4 1,-0.2 26,-0.1 -0.884 16.1-169.5-103.6 117.7 29.1 1.2 3.1 11 11 A T - 0 0 71 -2,-0.7 25,-1.7 24,-0.2 27,-0.4 0.941 33.1-150.8 -63.8 -46.0 27.4 0.7 6.4 12 12 A G - 0 0 19 1,-0.2 -1,-0.1 23,-0.1 27,-0.1 -0.432 29.2 -73.9 90.6 176.3 30.8 0.1 8.1 13 13 A P S S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.503 97.4 97.0 -93.9 -10.0 31.4 -2.1 11.1 14 14 A b S S- 0 0 54 24,-0.4 24,-0.1 -3,-0.3 23,-0.1 -0.474 71.3-132.5 -78.5 164.6 30.0 0.1 13.9 15 15 A K + 0 0 202 -2,-0.1 2,-0.2 22,-0.1 22,-0.1 -0.176 57.0 123.0-117.9 29.4 26.4 -0.7 15.0 16 16 A A - 0 0 45 20,-2.4 2,-0.5 2,-0.0 22,-0.1 -0.501 57.2-133.0 -80.7 166.8 24.5 2.6 15.1 17 17 A R + 0 0 222 -2,-0.2 2,-0.5 19,-0.1 19,-0.2 -0.738 42.8 154.8-120.5 79.1 21.4 3.0 13.1 18 18 A I E -A 35 0A 56 17,-2.0 17,-3.5 -2,-0.5 2,-0.4 -0.923 36.9-136.1-114.5 134.2 21.8 6.3 11.4 19 19 A I E +A 34 0A 107 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.717 34.1 160.6 -88.5 127.2 20.0 7.0 8.2 20 20 A R E -A 33 0A 42 13,-2.8 13,-2.0 -2,-0.4 2,-0.4 -0.802 35.4-106.7-135.3 175.7 22.1 8.8 5.5 21 21 A Y E +AB 32 45A 72 24,-3.1 24,-2.6 -2,-0.3 2,-0.3 -0.892 29.3 178.7-107.4 145.6 21.8 9.2 1.8 22 22 A A E -A 31 0A 5 9,-2.7 9,-2.5 -2,-0.4 22,-0.1 -0.992 35.2-104.0-139.4 147.6 23.8 7.6 -0.9 23 23 A Y E -A 30 0A 29 -2,-0.3 2,-0.6 7,-0.3 7,-0.3 -0.404 26.6-151.0 -68.5 138.0 23.5 7.9 -4.7 24 24 A N E >>> -A 29 0A 54 5,-2.2 4,-2.7 1,-0.1 5,-0.9 -0.904 3.3-162.2-114.6 101.7 21.9 4.9 -6.4 25 25 A A T 345S+ 0 0 57 -2,-0.6 -1,-0.1 -20,-0.3 -19,-0.1 0.741 86.5 57.3 -57.3 -27.7 23.4 4.6 -9.9 26 26 A K T 345S+ 0 0 201 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.879 117.8 31.2 -76.7 -31.7 20.5 2.3 -11.1 27 27 A A T <45S- 0 0 59 -3,-0.6 -2,-0.2 2,-0.3 -1,-0.2 0.750 100.5-133.0 -87.1 -29.5 17.7 4.8 -10.2 28 28 A G T <5S+ 0 0 25 -4,-2.7 2,-0.3 1,-0.4 29,-0.2 0.676 76.2 89.9 80.0 23.7 19.9 7.8 -10.9 29 29 A L E S- 0 0 41 -26,-0.1 4,-1.6 1,-0.1 -26,-0.1 -0.934 78.5-116.2-157.2 160.3 20.4 15.3 2.9 48 48 A A H > S+ 0 0 44 -2,-0.3 4,-2.4 1,-0.2 -18,-0.1 0.910 114.4 48.8 -69.2 -38.7 19.0 14.2 -0.6 49 49 A E H > S+ 0 0 132 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.830 105.5 54.1 -72.5 -34.0 20.1 17.4 -2.2 50 50 A D H > S+ 0 0 54 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.971 112.9 49.3 -60.2 -42.1 23.8 17.4 -0.9 51 51 A c H >X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 3,-0.7 0.939 114.3 42.0 -58.9 -54.0 23.8 13.9 -2.4 52 52 A M H 3X S+ 0 0 56 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.834 108.2 58.1 -66.9 -37.5 22.4 15.0 -5.8 53 53 A R H 3< S+ 0 0 164 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.777 119.6 33.5 -59.1 -25.9 24.5 18.3 -6.1 54 54 A T H << S+ 0 0 49 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.1 0.920 133.2 26.2 -91.6 -53.4 27.6 16.0 -5.9 55 55 A a H < S+ 0 0 0 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.422 99.2 102.6 -93.9 -1.4 26.4 12.9 -7.6 56 56 A G < - 0 0 14 -4,-2.2 -27,-0.1 -5,-0.3 -51,-0.0 -0.206 57.9-137.1 -81.5 174.3 23.8 14.2 -9.9 57 57 A G 0 0 70 -29,-0.2 -1,-0.1 -56,-0.1 -29,-0.0 0.317 360.0 360.0 -98.6-134.8 24.0 14.8 -13.7 58 58 A A 0 0 176 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.748 360.0 360.0 -70.3 360.0 22.8 17.6 -15.9