==== 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 3HET . 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 . 60 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 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 . 52 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 2 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 0 126 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.0 18.5 8.7 21.6 2 2 A M H > + 0 0 144 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.870 360.0 44.7 -63.9 -42.9 16.4 4.4 21.1 3 3 A K H > S+ 0 0 83 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.908 106.9 57.8 -77.2 -45.6 13.7 6.7 19.8 4 4 A X H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.1 -2,-0.2 0.907 116.2 43.9 -13.9 -64.6 17.2 8.8 17.6 5 5 A I H X S+ 0 0 88 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.956 106.8 46.2 -63.2 -56.7 17.5 5.2 16.3 6 6 A E H X S+ 0 0 125 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 113.3 58.8 -68.9 -43.7 13.9 4.3 15.5 7 7 A X H X S+ 0 0 108 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.922 114.4 42.5 -11.9 -70.2 14.0 8.5 13.6 8 8 A K H X S+ 0 0 131 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.882 105.2 49.8 -64.0 -46.9 16.8 6.9 11.5 9 9 A L H X S+ 0 0 80 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.896 112.3 57.7 -69.2 -40.3 15.2 3.4 10.8 10 10 A X H X S+ 0 0 77 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.942 111.5 47.8 -19.3 -67.6 11.8 6.4 9.6 11 11 A E H X S+ 0 0 112 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.837 102.8 48.9 -58.6 -40.5 14.6 7.7 7.3 12 12 A I H X S+ 0 0 68 -4,-1.7 4,-3.3 2,-0.2 -2,-0.2 0.926 108.1 61.9 -80.0 -46.5 15.7 4.3 5.9 13 13 A X H X S+ 0 0 163 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.959 112.2 44.2 -9.5 -74.5 11.2 3.8 5.3 14 14 A S H X S+ 0 0 53 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.850 105.3 49.0 -55.9 -47.0 12.0 6.8 3.1 15 15 A K H X S+ 0 0 109 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.878 111.0 58.4 -75.6 -37.2 15.2 5.6 1.3 16 16 A X H X S+ 0 0 109 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.993 113.3 45.6 -19.6 -79.4 12.6 1.9 0.6 17 17 A Y H X S+ 0 0 135 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.870 115.0 36.8 -43.7 -58.3 10.4 4.5 -1.1 18 18 A H H X S+ 0 0 62 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.916 117.7 55.1 -82.8 -44.6 12.9 6.4 -3.1 19 19 A X H X S+ 0 0 136 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.987 119.4 41.2 -15.6 -80.4 15.2 2.6 -3.9 20 20 A E H X S+ 0 0 123 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.894 117.4 37.3 -48.8 -57.2 11.8 1.5 -5.2 21 21 A N H X S+ 0 0 59 -4,-2.7 4,-1.6 -5,-0.3 -3,-0.2 0.819 118.0 56.2 -84.6 -32.2 10.5 4.6 -7.1 22 22 A X H X S+ 0 0 116 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.956 117.7 41.4 -24.4 -73.3 14.8 5.2 -8.5 23 23 A L H X S+ 0 0 111 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.888 116.4 45.0 -57.1 -48.0 14.3 1.6 -9.8 24 24 A A H X S+ 0 0 39 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.878 111.0 48.1 -70.4 -42.8 10.7 1.8 -11.1 25 25 A X H X S+ 0 0 121 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.915 117.1 50.0 -82.8 -10.3 11.0 5.1 -13.1 26 26 A I H X S+ 0 0 92 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.934 107.6 50.6 -65.5 -50.7 14.8 3.1 -14.7 27 27 A K H < S+ 0 0 165 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.919 105.6 59.3 -67.5 -44.8 12.6 0.1 -15.4 28 28 A X H < S+ 0 0 97 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.946 110.3 46.2 -12.1 -77.2 10.1 3.5 -17.4 29 29 A L H < 0 0 122 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 360.0 360.0 -52.9 -41.0 13.3 4.0 -19.5 30 30 A L < 0 0 151 -4,-1.9 -1,-0.2 3,-0.0 -2,-0.2 0.667 360.0 360.0 -87.6 360.0 13.8 0.3 -20.3 31 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 1 B X > 0 0 150 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.7 20.4 8.8 -25.0 33 2 B M H > + 0 0 92 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 360.0 40.6 -60.6 -45.1 17.3 5.1 -25.2 34 3 B K H > S+ 0 0 64 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.911 112.0 56.4 -74.9 -46.4 14.9 7.8 -26.6 35 4 B X H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.1 -2,-0.2 0.935 116.0 44.4 -12.7 -70.9 18.7 9.1 -28.9 36 5 B I H X S+ 0 0 91 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.932 107.8 44.3 -57.4 -59.3 18.5 5.5 -30.1 37 6 B E H X S+ 0 0 109 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.866 112.8 61.9 -71.6 -34.8 14.9 5.0 -30.9 38 7 B X H X S+ 0 0 103 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.902 112.5 43.5 -17.5 -65.1 15.6 9.2 -32.9 39 8 B K H X S+ 0 0 120 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.895 103.2 51.0 -66.5 -44.7 18.1 7.1 -35.0 40 9 B L H X S+ 0 0 75 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 112.9 55.8 -66.8 -46.9 15.9 4.0 -35.6 41 10 B X H X S+ 0 0 63 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 111.4 48.2 -15.3 -66.9 13.1 7.5 -37.0 42 11 B E H X S+ 0 0 95 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.889 103.0 48.9 -60.6 -44.6 16.0 8.4 -39.2 43 12 B I H X S+ 0 0 68 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.928 107.9 62.9 -71.6 -46.2 16.6 4.9 -40.6 44 13 B X H X S+ 0 0 161 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.943 111.5 44.1 -10.3 -69.1 12.0 5.1 -41.2 45 14 B S H X S+ 0 0 56 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.862 104.2 49.6 -63.2 -44.2 13.2 7.9 -43.5 46 15 B K H X S+ 0 0 113 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.909 110.1 60.6 -73.1 -41.2 16.2 6.3 -45.2 47 16 B X H X S+ 0 0 107 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.983 114.4 41.5 -14.8 -81.6 13.0 3.0 -45.9 48 17 B Y H X S+ 0 0 131 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.909 116.3 38.6 -48.1 -61.2 11.3 5.8 -47.7 49 18 B H H X S+ 0 0 68 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.936 118.3 54.3 -74.2 -47.1 14.1 7.5 -49.6 50 19 B X H X S+ 0 0 136 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.985 119.3 42.3 -13.8 -82.0 15.8 3.3 -50.4 51 20 B E H X S+ 0 0 116 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.856 116.6 36.6 -45.0 -56.5 12.2 2.8 -51.7 52 21 B N H X S+ 0 0 50 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.852 115.9 59.2 -89.9 -33.5 11.4 5.9 -53.7 53 22 B X H X S+ 0 0 111 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.933 117.4 40.3 -18.9 -71.8 15.8 6.0 -55.1 54 23 B L H X S+ 0 0 108 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.914 115.8 46.3 -62.6 -46.5 14.7 2.5 -56.4 55 24 B A H X S+ 0 0 36 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.903 111.8 48.1 -68.4 -41.1 11.2 3.4 -57.7 56 25 B X H X S+ 0 0 200 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.905 116.6 48.0 -82.5 -9.4 12.2 6.5 -59.5 57 26 B I H X S+ 0 0 86 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.945 106.3 53.5 -67.5 -53.3 15.6 3.9 -61.2 58 27 B K H < S+ 0 0 103 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.854 106.0 55.5 -60.6 -39.3 12.8 1.4 -61.9 59 28 B X H < S+ 0 0 112 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.937 110.9 48.1 -21.4 -73.4 11.3 5.4 -64.0 60 29 B L H < 0 0 153 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.730 360.0 360.0 -56.9 -28.8 14.6 5.2 -65.9 61 30 B L < 0 0 170 -4,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.314 360.0 360.0-101.6 360.0 14.2 1.5 -66.8