==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (TRYPSIN) 08-MAR-90 7PTI . COMPND 2 MOLECULE: BOVINE PANCREATIC TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.EIGENBROT,M.RANDAL,A.A.KOSSIAKOFF . 58 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3963.0 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 0 156 0, 0.0 54,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 155.5 32.4 14.4 -12.1 2 2 A P > - 0 0 51 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.214 360.0-124.8 -54.7 141.0 35.0 13.4 -9.4 3 3 A D G > S+ 0 0 139 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.728 109.4 65.8 -61.3 -26.2 36.0 9.8 -9.4 4 4 A F G > S+ 0 0 37 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.696 86.9 70.2 -69.0 -19.7 35.0 9.5 -5.7 5 5 A a G < S+ 0 0 1 -3,-1.9 20,-0.5 1,-0.3 -1,-0.3 0.696 95.8 54.8 -65.9 -23.5 31.4 10.1 -6.9 6 6 A L G < S+ 0 0 111 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.499 88.3 105.9 -87.4 -6.7 31.7 6.5 -8.4 7 7 A E S < S- 0 0 44 -3,-1.4 18,-0.2 -4,-0.1 16,-0.1 -0.542 75.8-113.6 -81.2 143.2 32.7 5.0 -5.0 8 8 A P - 0 0 101 0, 0.0 35,-0.2 0, 0.0 -1,-0.1 -0.353 44.8 -87.9 -64.2 158.7 30.3 2.9 -2.9 9 9 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 35,-0.1 -0.359 41.9-144.1 -66.1 142.6 29.2 4.3 0.4 10 10 A Y - 0 0 82 33,-0.3 31,-0.3 1,-0.2 26,-0.1 -0.953 19.6-175.8-119.9 112.8 31.6 3.3 3.2 11 11 A T - 0 0 72 -2,-0.6 25,-2.1 24,-0.2 27,-0.4 0.888 33.7-155.3 -70.8 -45.9 30.2 2.6 6.7 12 12 A G - 0 0 20 1,-0.2 -1,-0.1 23,-0.1 27,-0.1 -0.222 31.4 -70.0 92.6 168.7 33.6 2.2 8.2 13 13 A P S S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.538 96.4 98.9 -80.9 -13.2 34.6 0.2 11.3 14 14 A b - 0 0 50 24,-0.4 24,-0.1 -3,-0.2 23,-0.1 -0.355 69.8-131.2 -75.3 159.1 33.0 2.3 14.1 15 15 A K + 0 0 188 -2,-0.1 22,-0.2 22,-0.1 -1,-0.1 0.316 62.5 113.0-102.7 19.2 29.7 1.4 15.6 16 16 A A - 0 0 49 20,-2.9 2,-0.4 1,-0.1 22,-0.1 -0.213 62.0-131.9 -76.8 169.5 27.6 4.6 15.6 17 17 A R + 0 0 200 20,-0.1 2,-0.5 17,-0.1 19,-0.2 -0.773 36.2 167.1-123.5 81.5 24.5 5.0 13.4 18 18 A I E -A 35 0A 58 17,-2.7 17,-3.7 -2,-0.4 2,-0.6 -0.925 31.9-134.9 -99.1 117.4 24.9 8.3 11.7 19 19 A I E +A 34 0A 105 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.694 37.7 165.5 -79.6 121.0 22.6 8.9 8.7 20 20 A R E -A 33 0A 46 13,-3.1 13,-3.4 -2,-0.6 2,-0.4 -0.827 33.2-116.0-127.6 170.6 24.5 10.4 5.8 21 21 A Y E -AB 32 45A 80 24,-3.0 24,-2.5 -2,-0.3 2,-0.3 -0.808 24.7-177.3-106.1 144.7 24.1 11.0 2.1 22 22 A F E -A 31 0A 22 9,-2.8 9,-2.3 -2,-0.4 2,-0.6 -0.950 32.7-115.0-127.0 160.1 26.1 9.4 -0.7 23 23 A Y E -A 30 0A 7 -2,-0.3 2,-1.0 7,-0.2 7,-0.3 -0.787 25.4-151.8 -89.4 125.1 25.8 10.0 -4.5 24 24 A N E >> -A 29 0A 36 5,-3.0 4,-3.0 -2,-0.6 5,-1.0 -0.821 9.4-169.2-100.5 103.5 24.6 6.7 -6.0 25 25 A A T 45S+ 0 0 43 -2,-1.0 -1,-0.1 -20,-0.5 -19,-0.1 0.696 83.9 58.9 -64.1 -24.0 26.1 7.0 -9.6 26 26 A K T 45S+ 0 0 194 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.803 118.6 30.1 -70.8 -44.8 24.1 4.0 -10.7 27 27 A A T 45S- 0 0 44 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.791 101.4-131.8 -85.9 -27.4 20.8 5.8 -9.8 28 28 A G T <5S+ 0 0 14 -4,-3.0 2,-0.3 1,-0.3 29,-0.2 0.716 72.0 104.9 76.5 24.3 22.1 9.3 -10.5 29 29 A L E S- 0 0 25 -26,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.986 70.9-125.6-149.0 155.0 23.0 16.9 2.8 48 48 A A H > S+ 0 0 23 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.807 110.9 57.9 -67.7 -34.6 21.5 15.9 -0.4 49 49 A E H > S+ 0 0 126 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.884 107.1 47.5 -67.1 -36.2 22.2 19.4 -1.9 50 50 A D H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.921 113.0 48.7 -65.1 -44.0 25.9 19.0 -1.2 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 5,-0.5 0.922 116.5 42.4 -54.6 -52.9 25.9 15.5 -2.7 52 52 A M H X S+ 0 0 64 -4,-2.9 4,-2.3 3,-0.2 -2,-0.2 0.919 113.3 50.4 -67.6 -42.2 24.1 16.7 -5.8 53 53 A R H < S+ 0 0 180 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 118.7 41.7 -59.9 -39.9 26.1 20.0 -6.2 54 54 A T H < S+ 0 0 58 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.945 134.1 9.1 -73.3 -47.6 29.3 17.9 -5.9 55 55 A a H < S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.607 106.1 77.8-118.9 -7.9 28.6 14.8 -8.0 56 56 A G < + 0 0 27 -4,-2.3 2,-0.2 -5,-0.5 -27,-0.1 -0.013 26.6 163.6 -91.3-160.6 25.4 15.1 -9.9 57 57 A G 0 0 48 -29,-0.2 -1,-0.1 -56,-0.0 -2,-0.1 -0.735 360.0 360.0-180.0-145.5 23.7 16.5 -12.9 58 58 A A 0 0 161 -2,-0.2 -29,-0.1 -29,-0.0 -30,-0.1 -0.855 360.0 360.0-125.3 360.0 20.4 15.1 -14.0