==== 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 08-SEP-01 1GM2 . COMPND 2 MOLECULE: BOWMAN-BIRK INHIBITOR DERIVED PEPTIDE; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.B.E.BRAUER,G.KELLY,S.J.MATTHEWS,R.J.LEATHERBARROW . 11 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 18.2 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 . 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+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 S 0 0 147 0, 0.0 10,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.1 -2.6 -7.0 1.9 2 2 A a B -A 10 0A 64 8,-0.2 8,-0.3 9,-0.1 0, 0.0 -0.831 360.0-120.4-102.2 135.6 -1.3 -3.4 2.1 3 3 A T - 0 0 60 6,-3.0 -1,-0.1 -2,-0.4 8,-0.0 0.034 22.7-113.6 -61.0 176.3 -3.0 -0.8 4.2 4 4 A K S S+ 0 0 208 4,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.174 71.7 126.5-107.5 38.2 -4.5 2.4 2.8 5 5 A S - 0 0 40 4,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.506 68.4 -90.9 -93.5 163.9 -2.0 4.7 4.5 6 6 A I S S+ 0 0 166 1,-0.3 -2,-0.1 -2,-0.2 3,-0.0 -0.917 128.0 23.9-119.6 105.0 0.2 7.4 2.9 7 7 A P S S- 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.545 114.5-125.6 -71.7 157.5 2.7 6.0 2.3 8 8 A P - 0 0 85 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.404 18.6-141.7 -72.1 146.6 0.9 2.6 2.2 9 9 A Q - 0 0 97 -2,-0.1 -6,-3.0 -3,-0.0 2,-0.4 -0.916 8.3-154.5-113.8 136.4 2.2 -0.3 4.3 10 10 A a B A 2 0A 85 -2,-0.4 -8,-0.2 -8,-0.3 0, 0.0 -0.896 360.0 360.0-111.7 137.7 2.4 -3.9 3.3 11 11 A Y 0 0 251 -10,-1.2 -1,-0.1 -2,-0.4 -9,-0.1 0.693 360.0 360.0 -96.6 360.0 2.3 -6.9 5.7