==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE 26-OCT-06 2NOU . COMPND 2 MOLECULE: SCYLIORHININ I; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.DIKE,S.M.COWSIK . 10 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 40.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 40.0 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 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 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 A 0 0 115 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 121.7 -2.2 4.2 2.8 2 2 A K > + 0 0 171 2,-0.2 4,-1.3 1,-0.2 3,-0.1 0.709 360.0 66.1 -84.8 -23.7 -5.6 2.9 1.9 3 3 A F T 4 S+ 0 0 178 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.766 102.2 47.9 -67.6 -26.5 -4.1 0.4 -0.4 4 4 A D T > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.694 105.4 59.1 -85.1 -22.2 -2.6 -1.3 2.6 5 5 A K H > S+ 0 0 149 -4,-0.4 4,-1.4 1,-0.2 3,-0.2 0.782 95.2 64.2 -75.2 -28.6 -5.9 -1.2 4.4 6 6 A F H X S+ 0 0 139 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.832 101.1 50.4 -62.8 -33.9 -7.5 -3.2 1.6 7 7 A Y H 4 S+ 0 0 177 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.753 106.5 55.5 -75.1 -26.0 -5.2 -6.1 2.6 8 8 A G H < S+ 0 0 66 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.770 109.0 46.3 -76.3 -27.9 -6.3 -5.8 6.2 9 9 A L H < 0 0 146 -4,-1.4 -2,-0.2 -3,-0.0 -1,-0.2 0.678 360.0 360.0 -85.5 -20.9 -9.9 -6.1 5.2 10 10 A M < 0 0 188 -4,-0.9 -3,-0.0 -5,-0.2 0, 0.0 -0.271 360.0 360.0 -72.5 360.0 -9.1 -9.1 3.0