==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 10-MAY-09 3HEX . COMPND 2 MOLECULE: ALPHA/BETA-PEPTIDE BASED ON THE GCN4-PLI SIDE CHA . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.S.HORNE,J.L.PRICE,S.H.GELLMAN . 30 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 86.7 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 . 26 86.7 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 1 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 X > 0 0 144 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -69.7 20.0 7.9 21.2 2 2 A M H > + 0 0 161 2,-0.2 4,-2.5 3,-0.2 5,-0.1 0.785 360.0 47.0 -84.9 -38.0 17.1 5.5 20.8 3 3 A K H > S+ 0 0 77 2,-0.2 4,-1.7 3,-0.2 -1,-0.1 0.911 116.6 54.5 -76.0 -47.6 14.5 8.0 19.6 4 4 A X H > S+ 0 0 77 2,-0.2 4,-2.2 3,-0.1 -2,-0.2 0.971 116.6 41.5 -17.0 -76.1 18.3 9.1 17.0 5 5 A I H X S+ 0 0 98 -4,-2.7 4,-2.3 2,-0.2 3,-0.2 0.947 110.1 44.5 -54.6 -56.7 18.2 5.4 16.0 6 6 A E H X S+ 0 0 78 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.811 115.3 59.0 -68.5 -28.8 14.4 5.0 15.5 7 7 A X H X S+ 0 0 68 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.776 113.8 42.4 -28.1 -56.3 15.2 9.2 13.2 8 8 A K H X S+ 0 0 108 -4,-2.2 4,-3.6 2,-0.3 5,-0.4 0.985 103.3 51.1 -72.3 -63.1 17.6 7.1 11.0 9 9 A L H X S+ 0 0 80 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.839 114.0 55.0 -46.5 -41.0 15.5 4.0 10.6 10 10 A X H X S+ 0 0 140 -4,-0.7 4,-1.7 -5,-0.2 -2,-0.3 0.925 114.1 43.9 -21.9 -70.6 12.8 7.6 9.4 11 11 A E H X S+ 0 0 111 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.874 106.5 49.7 -61.1 -40.6 15.7 8.4 7.0 12 12 A I H X S+ 0 0 66 -4,-3.6 4,-2.6 2,-0.2 -2,-0.2 0.908 107.6 60.2 -79.1 -41.6 16.2 4.8 5.8 13 13 A X H X S+ 0 0 139 -4,-2.0 4,-2.3 -5,-0.4 -2,-0.2 0.902 115.1 43.9 -16.7 -57.2 11.6 5.0 5.1 14 14 A S H X S+ 0 0 64 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.978 107.7 43.6 -69.0 -64.8 12.8 7.8 2.8 15 15 A K H X S+ 0 0 141 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.866 115.5 60.6 -64.8 -36.4 15.8 6.4 1.0 16 16 A X H X S+ 0 0 125 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.990 115.3 37.3 -18.3 -89.9 12.9 2.9 0.8 17 17 A Y H X S+ 0 0 158 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.882 117.7 41.4 -41.5 -63.2 10.6 5.3 -1.1 18 18 A H H X S+ 0 0 107 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.934 120.4 51.4 -67.9 -48.7 13.2 7.3 -3.2 19 19 A X H X S+ 0 0 63 -4,-2.4 4,-2.1 -5,-0.3 5,-0.3 0.981 116.9 42.4 -12.5 -90.1 15.1 3.1 -3.8 20 20 A E H X S+ 0 0 130 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.762 117.5 40.7 -43.6 -38.6 11.7 1.8 -4.9 21 21 A N H X S+ 0 0 22 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.848 113.2 54.9 -98.1 -39.6 10.7 4.9 -7.0 22 22 A X H X S+ 0 0 110 -4,-2.8 4,-2.1 -5,-0.3 5,-0.2 0.981 118.9 42.7 -21.0 -77.4 14.9 5.3 -8.8 23 23 A L H X S+ 0 0 115 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.888 116.6 43.3 -51.4 -48.8 14.2 1.6 -9.7 24 24 A A H X S+ 0 0 38 -4,-1.2 4,-0.7 -5,-0.3 -1,-0.2 0.841 113.8 47.2 -73.0 -35.0 10.5 2.1 -10.8 25 25 A X H X S+ 0 0 150 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.936 116.8 46.7 -89.7 -15.3 11.1 5.3 -12.9 26 26 A I H X S+ 0 0 91 -4,-2.1 4,-1.5 2,-0.2 3,-0.2 0.991 104.8 56.2 -59.9 -63.1 14.8 3.2 -14.9 27 27 A K H < S+ 0 0 65 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.793 105.5 54.4 -42.3 -40.1 12.1 0.3 -15.1 28 28 A X H < S+ 0 0 114 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.866 109.1 48.2 -24.2 -68.5 10.2 4.2 -17.4 29 29 A L H < 0 0 155 -4,-2.1 -2,-0.2 -3,-0.2 -3,-0.1 0.669 360.0 360.0 -65.2 -18.1 13.3 4.5 -19.6 30 30 A L < 0 0 171 -4,-1.5 -2,-0.2 0, 0.0 -1,-0.2 0.691 360.0 360.0-115.0 360.0 13.2 0.7 -20.4