==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 13-NOV-00 1HD9 . COMPND 2 MOLECULE: BOWMAN-BIRK INHIBITOR DERIVED PEPTIDE; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.B.E.BRAUER,G.KELLY,J.D.MCBRIDE,R.M.COOKE,S.J.MATTHEWS, . 11 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 27.3 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 . 2 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 1 9.1 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+3), 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+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 0 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 0 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 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 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 X 0 0 195 0, 0.0 10,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.4 -1.6 -6.6 2.2 2 2 A a B -A 10 0A 69 8,-0.2 8,-0.3 9,-0.1 2,-0.1 -0.782 360.0-123.8-103.0 145.6 -1.0 -3.0 1.2 3 3 A T - 0 0 82 6,-2.5 2,-2.6 -2,-0.3 6,-0.4 -0.436 32.4-100.1 -83.6 159.5 -3.0 0.0 2.5 4 4 A A S S+ 0 0 114 4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.309 78.8 131.6 -76.0 58.0 -4.8 2.5 0.3 5 5 A S - 0 0 26 -2,-2.6 -3,-0.0 4,-0.2 0, 0.0 -0.729 62.0-100.3-110.6 160.8 -1.9 5.0 0.6 6 6 A I S S+ 0 0 159 1,-0.4 -2,-0.1 -2,-0.3 3,-0.0 -0.924 123.4 23.5-127.4 107.2 -0.0 7.1 -2.0 7 7 A P S S- 0 0 98 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.522 113.5-128.6 -72.2 154.2 2.4 5.7 -2.4 8 8 A P - 0 0 85 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.437 27.7-168.4 -71.5 141.0 0.9 2.4 -1.2 9 9 A Q - 0 0 118 -6,-0.4 -6,-2.5 -2,-0.1 2,-0.4 -0.893 12.7-135.6-129.6 159.6 2.8 0.4 1.4 10 10 A a B A 2 0A 84 -2,-0.3 -8,-0.2 -8,-0.3 0, 0.0 -0.907 360.0 360.0-118.0 144.8 2.5 -3.1 2.9 11 11 A Y 0 0 273 -10,-1.4 -1,-0.1 -2,-0.4 -9,-0.1 0.888 360.0 360.0 -98.5 360.0 2.7 -4.1 6.5