==== 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 3HEW . 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 . 31 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 87.1 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 83.9 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 0 124 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -14.3 18.6 8.6 21.5 2 2 A M H > + 0 0 147 2,-0.2 4,-2.6 3,-0.2 5,-0.1 0.827 360.0 41.6 -68.2 -37.0 16.3 4.6 21.1 3 3 A K H > S+ 0 0 89 2,-0.2 4,-2.7 3,-0.2 -1,-0.1 0.890 108.7 59.2 -88.1 -44.2 13.8 7.0 19.6 4 4 A X H > S+ 0 0 75 2,-0.2 4,-2.2 3,-0.1 -2,-0.2 0.950 117.0 41.6 -13.6 -70.9 17.5 8.8 17.6 5 5 A I H X S+ 0 0 93 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.962 108.7 45.0 -59.6 -62.5 17.5 5.2 16.3 6 6 A E H X S+ 0 0 71 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.900 114.6 59.9 -64.5 -39.0 13.9 4.4 15.5 7 7 A X H X S+ 0 0 120 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.904 112.2 43.8 -16.6 -64.9 14.3 8.7 13.6 8 8 A K H X S+ 0 0 122 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 102.4 53.0 -67.6 -40.3 17.0 7.0 11.5 9 9 A L H X S+ 0 0 68 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.880 109.3 57.7 -71.0 -37.9 15.1 3.9 10.8 10 10 A X H X S+ 0 0 119 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.937 111.7 47.2 -19.1 -71.2 12.1 7.2 9.4 11 11 A E H X S+ 0 0 99 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.885 104.7 47.3 -57.0 -44.2 15.0 8.1 7.2 12 12 A I H X S+ 0 0 67 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.928 110.1 59.9 -76.9 -44.1 15.8 4.6 5.9 13 13 A X H X S+ 0 0 135 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.968 113.3 46.1 -15.6 -68.3 11.3 4.5 5.2 14 14 A S H X S+ 0 0 54 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 104.0 47.4 -58.2 -50.1 12.3 7.4 3.1 15 15 A K H X S+ 0 0 112 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.891 111.3 60.2 -70.1 -40.4 15.3 6.0 1.3 16 16 A X H X S+ 0 0 108 -4,-3.0 4,-2.6 2,-0.2 5,-0.3 0.983 114.5 42.5 -16.1 -78.1 12.4 2.5 0.6 17 17 A Y H X S+ 0 0 128 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.915 115.5 38.1 -49.1 -58.4 10.5 5.2 -1.1 18 18 A H H X S+ 0 0 95 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.912 118.7 54.3 -77.9 -45.4 13.1 7.1 -3.1 19 19 A X H X S+ 0 0 127 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.977 118.5 41.9 -13.3 -83.2 15.0 3.0 -4.0 20 20 A E H X S+ 0 0 126 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.872 115.6 39.4 -47.3 -54.7 11.6 2.1 -5.2 21 21 A N H X S+ 0 0 55 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.883 115.5 57.6 -84.8 -40.0 10.5 5.2 -7.2 22 22 A X H X S+ 0 0 87 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.961 118.2 39.8 -16.6 -73.2 14.9 5.5 -8.7 23 23 A L H X S+ 0 0 97 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.870 116.0 46.6 -62.5 -45.4 14.0 2.0 -9.9 24 24 A A H X S+ 0 0 41 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.908 114.3 44.7 -69.5 -42.3 10.4 2.5 -11.2 25 25 A X H X S+ 0 0 206 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.923 115.1 52.8 -86.4 -6.9 11.1 5.6 -13.1 26 26 A I H X S+ 0 0 79 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.947 105.9 52.1 -61.8 -54.3 14.7 3.4 -14.6 27 27 A K H < S+ 0 0 90 -4,-3.0 3,-0.4 2,-0.2 -2,-0.2 0.920 104.5 56.8 -61.4 -47.7 12.1 0.8 -15.5 28 28 A X H >< S+ 0 0 87 -4,-2.5 3,-1.3 2,-0.2 -2,-0.2 0.962 111.3 47.9 -12.8 -74.6 10.3 4.6 -17.4 29 29 A L H 3< S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.738 122.2 27.2 -56.6 -28.4 13.6 4.6 -19.3 30 30 A L T 3< 0 0 140 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.348 360.0 360.0-103.3 4.6 13.6 0.9 -20.3 31 31 A X < 0 0 118 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.099 360.0 360.0 6.4 360.0 8.9 0.4 -20.4