==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE 04-OCT-02 1MYU . COMPND 2 MOLECULE: KASSININ; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.C.GRACE,A.M.LYNN,S.M.COWSIK . 12 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 58.3 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 . 0 0.0 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 . 1 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 50.0 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 1 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 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 D 0 0 209 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.1 2.1 0.0 -1.2 2 2 A V - 0 0 82 1,-0.1 2,-0.1 2,-0.1 5,-0.0 -0.190 360.0 -96.5 -60.0 154.8 2.6 -2.8 -3.8 3 3 A P >> - 0 0 82 0, 0.0 3,-1.8 0, 0.0 4,-0.9 -0.412 21.1-124.3 -75.0 150.7 2.4 -6.4 -2.5 4 4 A K H 3> S+ 0 0 159 1,-0.3 4,-0.9 2,-0.2 3,-0.2 0.751 113.3 65.4 -63.9 -23.9 5.6 -8.2 -1.6 5 5 A S H 3> S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.667 95.3 58.5 -71.4 -17.1 4.4 -10.8 -4.0 6 6 A D H <> S+ 0 0 81 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.834 103.4 49.7 -79.4 -35.6 4.9 -8.2 -6.7 7 7 A Q H X S+ 0 0 141 -4,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.709 111.3 51.7 -74.4 -21.4 8.5 -7.8 -5.9 8 8 A F H X S+ 0 0 150 -4,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.869 115.3 38.2 -81.4 -41.1 8.9 -11.5 -6.1 9 9 A V H < S+ 0 0 98 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.738 103.4 75.3 -80.1 -25.2 7.3 -11.9 -9.5 10 10 A G H < S+ 0 0 61 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.926 111.8 23.5 -50.4 -53.1 9.0 -8.8 -10.6 11 11 A L H < 0 0 137 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.908 360.0 360.0 -80.1 -46.7 12.3 -10.5 -11.0 12 12 A M < 0 0 175 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.504 360.0 360.0 -60.5 360.0 10.9 -14.0 -11.4