==== 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 3HEU . 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 . 32 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3652.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 84.4 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 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 81.2 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 0 206 0, 0.0 4,-2.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -17.0 8.2 -16.1 25.3 2 2 A M H > + 0 0 147 2,-0.2 4,-2.1 1,-0.2 0, 0.0 0.870 360.0 45.6 -49.2 -51.4 3.7 -14.7 24.6 3 3 A K H > S+ 0 0 146 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.887 107.4 59.1 -81.3 -40.8 5.2 -11.5 23.3 4 4 A X H > S+ 0 0 131 2,-0.2 4,-2.7 1,-0.1 -2,-0.2 0.943 112.6 45.4 -16.8 -70.9 8.1 -14.3 21.1 5 5 A I H X S+ 0 0 97 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.945 105.6 48.1 -56.5 -54.4 4.8 -15.6 19.5 6 6 A E H X S+ 0 0 114 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.900 113.8 55.1 -61.3 -46.5 3.2 -12.2 18.8 7 7 A X H X S+ 0 0 101 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 114.4 46.3 -17.5 -67.0 7.5 -11.5 17.0 8 8 A K H X S+ 0 0 107 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.891 103.8 48.4 -64.5 -43.4 6.5 -14.5 15.1 9 9 A L H X S+ 0 0 91 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.895 110.2 60.2 -74.8 -37.8 3.0 -13.6 14.0 10 10 A X H X S+ 0 0 125 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.960 113.5 43.6 -19.8 -70.3 5.2 -9.8 12.8 11 11 A E H X S+ 0 0 99 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 106.0 47.5 -59.6 -49.8 7.0 -12.4 10.6 12 12 A I H X S+ 0 0 70 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.939 112.6 58.6 -67.7 -47.7 4.1 -14.4 9.3 13 13 A X H X S+ 0 0 54 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.926 110.4 48.6 -13.4 -65.3 2.6 -10.1 8.5 14 14 A S H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.889 102.3 48.3 -62.1 -44.8 5.8 -10.1 6.5 15 15 A K H X S+ 0 0 113 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.827 108.5 63.0 -74.6 -32.7 5.2 -13.4 4.6 16 16 A X H X S+ 0 0 145 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.977 113.1 41.1 -20.4 -75.2 1.1 -11.2 4.0 17 17 A Y H X S+ 0 0 161 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.912 113.5 42.8 -56.6 -51.7 3.3 -8.8 2.1 18 18 A H H X S+ 0 0 98 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.913 115.5 54.2 -75.6 -47.2 5.6 -11.1 0.3 19 19 A X H X S+ 0 0 128 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.988 119.4 42.6 -14.6 -80.1 1.9 -13.7 -0.6 20 20 A E H X S+ 0 0 126 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.875 114.9 38.9 -48.5 -59.3 0.7 -10.3 -2.0 21 21 A N H X S+ 0 0 72 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.911 117.5 55.4 -74.8 -46.1 3.7 -8.9 -3.8 22 22 A X H X S+ 0 0 96 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.953 118.5 41.1 -18.3 -70.4 4.5 -13.3 -5.3 23 23 A L H X S+ 0 0 98 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.908 118.6 41.0 -63.7 -44.7 1.0 -13.0 -6.6 24 24 A A H X S+ 0 0 31 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.858 112.7 50.1 -75.2 -37.7 1.0 -9.4 -7.9 25 25 A X H X S+ 0 0 174 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 114.9 50.7 -84.5 -11.4 4.4 -9.5 -9.5 26 26 A I H X S+ 0 0 83 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 103.9 54.1 -67.6 -50.6 2.6 -13.4 -11.3 27 27 A K H < S+ 0 0 150 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.908 104.4 57.1 -59.7 -43.7 -0.3 -11.2 -12.3 28 28 A X H >< S+ 0 0 97 -4,-1.8 3,-1.5 2,-0.2 -2,-0.2 0.955 112.0 44.8 -14.7 -78.1 3.4 -8.9 -14.1 29 29 A L H 3< S+ 0 0 152 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.754 118.3 34.3 -55.2 -33.3 4.0 -12.2 -16.0 30 30 A L T 3< S+ 0 0 147 -4,-1.9 -1,-0.3 0, 0.0 -2,-0.2 0.340 122.3 93.9 -96.4 6.6 0.3 -12.8 -17.0 31 31 A X < 0 0 67 -3,-1.5 -3,-0.1 -5,-0.2 -2,-0.1 0.978 360.0 360.0 -72.5-125.8 -0.0 -8.0 -17.4 32 32 A E 0 0 154 -4,-0.2 -4,-0.0 0, 0.0 0, 0.0 0.859 360.0 360.0-100.1 360.0 -0.0 -4.4 -18.7