==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 04-FEB-07 2ORU . COMPND 2 MOLECULE: XTZ1-PEPTIDE; . SOURCE 2 SYNTHETIC: YES . AUTHOR R.E.CAMPBELL . 20 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 25.0 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 . 3 15.0 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 5.0 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 K 0 0 244 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 28.3 2.1 0.0 -1.2 2 2 A A - 0 0 61 1,-0.2 2,-0.2 2,-0.1 3,-0.1 0.969 360.0 -34.2 -80.3 -73.6 0.4 -1.2 -4.3 3 3 A W S S- 0 0 125 1,-0.3 -1,-0.2 15,-0.1 15,-0.2 -0.524 91.9 -31.1-133.0-160.1 3.1 -1.7 -6.9 4 4 A T E -A 17 0A 85 13,-1.6 13,-1.6 -2,-0.2 2,-0.5 -0.148 49.9-140.0 -58.7 156.0 6.4 -0.3 -8.0 5 5 A W E +A 16 0A 133 11,-0.2 2,-0.2 -3,-0.1 11,-0.2 -0.788 41.7 141.6-125.0 88.1 7.0 3.5 -7.6 6 6 A T - 0 0 65 9,-0.7 9,-0.4 -2,-0.5 2,-0.3 -0.716 58.3 -75.2-120.8 172.0 8.9 5.0 -10.5 7 7 A W - 0 0 108 -2,-0.2 7,-0.1 7,-0.2 3,-0.1 -0.512 38.9-158.9 -70.5 127.2 8.8 8.2 -12.5 8 8 A N >>> + 0 0 15 -2,-0.3 4,-2.3 1,-0.1 3,-1.0 -0.791 19.1 170.6-112.2 89.0 5.7 8.4 -14.8 9 9 A P T 345 + 0 0 87 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.644 65.9 85.4 -69.8 -14.8 6.5 10.9 -17.6 10 10 A A T 345S+ 0 0 86 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.868 116.7 5.0 -54.7 -38.9 3.3 9.7 -19.4 11 11 A T T <45S- 0 0 92 -3,-1.0 -1,-0.2 2,-0.2 3,-0.1 0.646 104.8-110.3-116.6 -31.1 1.3 12.1 -17.3 12 12 A G T <5S+ 0 0 43 -4,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.449 86.2 96.1 110.6 4.4 4.0 14.0 -15.3 13 13 A K S