==== 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/HYDROLASE INHIBITOR 16-MAY-04 1T9E . COMPND 2 MOLECULE: TRYPSIN INHIBITOR 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.L.J.KORSINCZKY,R.J.CLARK,D.J.CRAIK . 14 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1467.0 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 . 2 14.3 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 . 2 14.3 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 G 0 0 58 0, 0.0 13,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -4.5 6.7 -0.6 3.4 2 2 A R - 0 0 156 9,-0.1 10,-3.5 1,-0.0 2,-0.4 -0.316 360.0-166.3 -64.8 145.7 4.4 1.0 0.9 3 3 A X B -A 11 0A 71 8,-0.2 8,-0.2 -2,-0.0 2,-0.2 -0.997 18.1-124.3-140.1 132.5 0.6 0.5 1.5 4 4 A T - 0 0 46 6,-1.8 2,-1.6 -2,-0.4 0, 0.0 -0.488 21.8-124.0 -75.1 143.6 -2.3 1.2 -0.9 5 5 A K S S+ 0 0 225 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.230 83.1 92.7 -81.0 47.9 -5.0 3.5 0.3 6 6 A S S S- 0 0 59 -2,-1.6 -2,-0.0 4,-0.1 0, 0.0 -0.710 81.6 -78.1-129.4-179.1 -7.5 0.7 -0.4 7 7 A I S S+ 0 0 167 1,-0.4 -2,-0.1 -2,-0.2 3,-0.0 -0.971 122.4 27.7-136.8 119.1 -9.2 -2.2 1.5 8 8 A P S S- 0 0 99 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.454 104.3-136.2 -73.8 143.0 -7.7 -4.5 2.0 9 9 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.518 13.1-132.5 -70.2 124.1 -4.5 -2.4 1.9 10 10 A I - 0 0 94 -2,-0.3 -6,-1.8 1,-0.0 2,-0.5 -0.648 17.7-148.9 -80.1 125.8 -1.7 -3.9 -0.2 11 11 A X B -A 3 0A 93 -2,-0.4 -8,-0.2 -8,-0.2 -9,-0.1 -0.857 7.7-154.1-101.2 126.1 1.6 -3.9 1.6 12 12 A F - 0 0 88 -10,-3.5 0, 0.0 -2,-0.5 0, 0.0 -0.597 28.8-111.5 -94.5 156.4 4.8 -3.6 -0.4 13 13 A P 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 360.0 360.0 -56.9 -28.2 8.2 -4.9 0.7 14 14 A D 0 0 96 -12,-0.0 -3,-0.0 -13,-0.0 0, 0.0 0.545 360.0 360.0 -79.3 360.0 9.4 -1.3 0.9