==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEASE INHIBITOR 09-DEC-02 1O8Z . COMPND 2 MOLECULE: CYCLIC TRYPSIN INHIBITOR; . SOURCE 2 SYNTHETIC: YES; . AUTHOR U.C.MARX,D.J.CRAIK . 14 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 28.6 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 . 3 21.4 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 . 1 7.1 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 . 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 ANTIPARALLEL 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 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 G 0 0 72 0, 0.0 2,-0.4 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 18.9 3.9 9.5 -14.5 2 2 A R E -A 13 0A 184 11,-0.6 11,-2.3 0, 0.0 2,-0.3 -0.967 360.0-162.9-126.9 141.5 2.4 7.9 -11.4 3 3 A a E -A 12 0A 82 -2,-0.4 9,-0.2 9,-0.2 2,-0.2 -0.806 18.0-119.9-118.9 162.4 1.4 4.2 -10.8 4 4 A T 0 0 41 7,-1.6 -1,-0.0 -2,-0.3 9,-0.0 -0.546 360.0 360.0 -96.6 165.9 -0.9 2.6 -8.2 5 5 A K 0 0 238 -2,-0.2 3,-0.1 5,-0.1 6,-0.0 -0.996 360.0 360.0-132.6 360.0 0.2 -0.2 -5.7 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 6 A S 0 0 77 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.0 -4.6 -1.8 -9.0 8 7 A I + 0 0 155 1,-1.3 -3,-0.0 2,-0.1 3,-0.0 -0.635 360.0 19.1-156.8 93.5 -4.0 -5.6 -9.3 9 8 A P S S- 0 0 109 0, 0.0 -1,-1.3 0, 0.0 -4,-0.1 0.562 127.9-116.6 -61.5 156.2 -2.3 -5.7 -11.5 10 9 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.197 25.6-132.7 -61.4 154.3 -1.6 -2.1 -10.6 11 10 A I - 0 0 89 -3,-0.0 -7,-1.6 -6,-0.0 2,-0.3 -0.911 12.4-148.7-114.7 139.3 -2.5 0.6 -13.2 12 11 A a E -A 3 0A 81 -2,-0.4 -9,-0.2 -9,-0.2 0, 0.0 -0.723 9.5-147.6-103.5 155.4 -0.3 3.4 -14.3 13 12 A F E -A 2 0A 97 -11,-2.3 -11,-0.6 -2,-0.3 0, 0.0 -0.851 28.8-111.9-121.0 159.0 -1.4 6.9 -15.5 14 13 A P 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 0.646 360.0 360.0 -61.4 -12.9 0.0 9.4 -18.1 15 14 A D 0 0 91 -13,-0.2 -12,-0.1 -14,-0.1 -3,-0.0 0.576 360.0 360.0 -71.5 360.0 0.8 11.6 -15.1