==== 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 1O8Y . 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) . 1645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 21.4 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 . 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 . 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 70 0, 0.0 2,-0.4 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 23.7 5.7 13.4 4.3 2 2 A R E -A 13 0A 180 11,-0.6 11,-2.6 0, 0.0 2,-0.3 -0.970 360.0-162.2-129.7 144.4 2.3 11.7 4.2 3 3 A a E -A 12 0A 74 -2,-0.4 9,-0.2 9,-0.3 2,-0.1 -0.860 21.6-113.2-122.6 159.1 0.2 10.5 1.2 4 4 A T 0 0 62 7,-2.2 -1,-0.0 -2,-0.3 9,-0.0 -0.399 360.0 360.0 -84.9 166.8 -3.5 9.5 0.9 5 5 A K 0 0 262 -2,-0.1 -1,-0.1 5,-0.1 0, 0.0 -0.781 360.0 360.0 -95.8 360.0 -4.7 6.0 0.2 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 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.0 -10.3 7.4 -8.9 8 7 A I - 0 0 132 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.176 360.0 -87.0 -57.6 156.5 -7.6 10.1 -9.2 9 8 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.145 57.1 -80.6 -61.5 160.9 -4.1 9.1 -8.3 10 9 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -5,-0.1 -0.231 45.1-140.5 -61.4 150.5 -2.8 9.2 -4.7 11 10 A I - 0 0 81 -3,-0.1 -7,-2.2 2,-0.0 2,-0.3 -0.945 10.9-157.7-119.1 135.6 -1.8 12.7 -3.4 12 11 A a E -A 3 0A 80 -2,-0.4 -9,-0.3 -9,-0.2 0, 0.0 -0.798 7.0-147.4-109.5 153.1 1.2 13.4 -1.2 13 12 A F E -A 2 0A 103 -11,-2.6 -11,-0.6 -2,-0.3 -2,-0.0 -0.794 30.7-108.2-116.9 162.1 1.8 16.4 1.1 14 13 A P 0 0 142 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.637 360.0 360.0 -61.5 -12.0 4.9 18.3 2.2 15 14 A D 0 0 96 -13,-0.2 -12,-0.1 -14,-0.1 -3,-0.0 0.612 360.0 360.0 -75.4 360.0 4.3 16.7 5.6