==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 10-MAY-09 3HEZ . COMPND 2 MOLECULE: ALPHA/BETA PEPTIDE WITH THE GCN4-PLI SIDE CHAIN S . SOURCE 2 SYNTHETIC: YES; . AUTHOR W.S.HORNE,S.H.GELLMAN . 99 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 86.9 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 . 5 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 78.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 3 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 R > 0 0 161 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -24.9 -4.5 10.9 6.5 2 2 A M H > + 0 0 49 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 360.0 42.7 -56.1 -43.6 -5.6 7.3 7.0 3 3 A K H > S+ 0 0 117 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.835 112.5 58.5 -79.8 -38.9 -9.2 8.4 7.9 4 4 A X H > S+ 0 0 55 2,-0.2 4,-2.2 3,-0.2 -2,-0.2 0.979 115.8 42.5 -17.9 -75.4 -8.6 11.3 4.3 5 5 A I H X S+ 0 0 0 -4,-3.3 4,-3.7 1,-0.2 -2,-0.2 0.852 114.8 45.7 -56.1 -47.8 -8.0 7.9 2.6 6 6 A E H X S+ 0 0 45 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.936 118.7 38.5 -67.9 -49.6 -10.8 5.9 4.2 7 7 A D H X S+ 0 0 72 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.866 118.1 57.8 -76.0 -39.7 -13.7 8.4 3.8 8 8 A X H X S+ 0 0 143 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.971 114.9 41.9 -17.3 -79.5 -11.5 9.1 -0.2 9 9 A L H X S+ 0 0 9 -4,-3.7 4,-2.8 1,-0.2 -2,-0.2 0.818 112.1 50.1 -56.0 -42.4 -12.1 5.4 -0.6 10 10 A E H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.931 106.4 51.5 -66.2 -45.1 -15.7 5.3 0.7 11 11 A E H X S+ 0 0 72 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.913 111.4 54.2 -59.7 -48.5 -16.8 8.2 -1.6 12 12 A X H >X S+ 0 0 12 -4,-2.2 4,-1.3 2,-0.2 3,-0.8 0.967 113.8 47.5 -18.8 -72.1 -14.8 5.4 -4.7 13 13 A L H 3X S+ 0 0 31 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.829 103.6 55.6 -57.4 -41.3 -17.2 2.9 -3.3 14 14 A S H 3X S+ 0 0 65 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.766 96.2 62.5 -64.8 -28.4 -20.4 5.1 -3.4 15 15 A K H S+ 0 0 21 -4,-2.3 5,-2.7 -5,-0.2 -3,-0.2 0.854 115.4 61.8 -65.5 -35.6 -26.4 -2.3 -21.7 28 28 A X H ><5S+ 0 0 171 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.963 108.8 44.5 -15.1 -78.9 -30.9 -2.2 -20.8 29 29 A L H 3<5S+ 0 0 106 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.810 111.4 50.6 -54.0 -36.8 -31.1 -0.0 -24.0 30 30 A L T 3<5S- 0 0 46 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.507 118.2-108.8 -84.8 -5.2 -28.8 -2.3 -25.9 31 31 A G T < 5 - 0 0 63 -3,-1.6 -3,-0.2 -5,-0.2 2,-0.2 0.807 56.1-111.3 69.3 30.6 -30.8 -5.4 -25.0 32 32 A X < 0 0 35 -5,-2.7 -4,-0.1 -6,-0.1 -1,-0.1 -0.439 360.0 360.0 70.9 -3.6 -27.6 -7.2 -22.1 33 33 A R 0 0 215 -2,-0.2 -1,-0.1 -6,-0.1 -2,-0.0 0.702 360.0 360.0 -75.0 360.0 -25.2 -10.2 -22.0 34 !* 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 35 1 B R > 0 0 169 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -46.0 3.7 2.2 2.3 36 2 B M H > + 0 0 55 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.888 360.0 50.1 -73.1 -41.8 1.4 5.2 3.0 37 3 B K H > S+ 0 0 147 2,-0.2 4,-1.6 3,-0.2 -1,-0.2 0.871 112.5 54.5 -70.3 -37.2 2.8 7.5 0.4 38 4 B X H > S+ 0 0 173 2,-0.2 4,-2.4 3,-0.1 -2,-0.2 0.955 115.5 46.2 -28.1 -68.8 2.0 3.6 -2.1 39 5 B I H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.899 111.7 44.3 -56.8 -50.9 -1.4 4.2 -0.6 40 6 B E H X S+ 0 0 50 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.882 112.4 48.6 -63.6 -42.3 -1.8 7.9 -1.3 41 7 B D H X S+ 0 0 92 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.866 110.7 58.6 -71.6 -39.3 -0.5 7.7 -4.9 42 8 B X H X S+ 0 0 125 -4,-2.4 4,-2.7 2,-0.2 3,-0.2 0.965 112.1 45.3 -17.8 -78.0 -3.6 4.2 -4.8 43 9 B L H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.887 110.2 48.6 -51.4 -51.3 -6.0 7.1 -3.9 44 10 B E H X S+ 0 0 102 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.861 108.1 51.6 -63.1 -35.4 -4.8 9.6 -6.5 45 11 B E H X S+ 0 0 59 -4,-1.2 4,-2.6 -3,-0.2 5,-0.2 0.963 108.2 57.2 -69.9 -54.6 -5.0 7.0 -9.3 46 12 B X H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.956 113.0 45.6 -8.2 -79.2 -9.2 6.5 -7.6 47 13 B L H X S+ 0 0 61 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.868 113.2 44.7 -54.2 -44.9 -9.4 10.2 -8.4 48 14 B S H X S+ 0 0 59 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.897 112.0 48.3 -71.2 -39.5 -7.9 10.0 -11.9 49 15 B K H X S+ 0 0 49 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.869 106.6 67.1 -77.2 -38.1 -9.9 7.0 -13.1 50 16 B X H X S+ 0 0 5 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.966 113.1 33.6 -10.2 -90.0 -13.4 9.4 -11.3 51 17 B Y H X S+ 0 0 181 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.813 119.0 51.9 -58.5 -36.2 -12.8 11.9 -14.1 52 18 B H H X S+ 0 0 72 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.962 110.8 43.4 -67.2 -50.2 -11.7 9.4 -16.8 53 19 B I H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.922 110.8 64.1 -72.9 -42.7 -14.6 7.0 -16.5 54 20 B X H X S+ 0 0 75 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.951 111.9 41.5 -11.8 -74.6 -16.7 11.1 -16.4 55 21 B N H X S+ 0 0 116 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.857 114.1 47.0 -61.8 -43.8 -15.3 11.2 -19.9 56 22 B E H X S+ 0 0 36 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 111.1 47.9 -66.5 -45.2 -16.0 7.6 -21.0 57 23 B L H X S+ 0 0 16 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.855 112.7 57.5 -70.7 -37.2 -19.6 7.6 -19.8 58 24 B X H X S+ 0 0 65 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.955 112.3 44.4 -18.2 -77.2 -19.4 11.6 -22.1 59 25 B R H X S+ 0 0 102 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.873 113.1 47.4 -53.1 -47.9 -18.3 9.4 -25.1 60 26 B I H X S+ 0 0 0 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.928 108.4 49.8 -65.2 -45.3 -20.9 6.7 -24.5 61 27 B K H ><>S+ 0 0 39 -4,-1.6 5,-2.9 2,-0.2 3,-0.6 0.926 111.1 56.9 -65.6 -47.1 -23.8 9.2 -24.1 62 28 B X H ><5S+ 0 0 183 -4,-2.8 3,-1.4 3,-0.2 -2,-0.2 0.968 112.5 45.9 -14.2 -73.7 -21.9 10.7 -28.0 63 29 B L H 3<5S+ 0 0 42 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.588 110.6 48.5 -67.0 -17.2 -22.6 7.1 -29.1 64 30 B L T <<5S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.412 121.8 -99.2 -96.6 -4.5 -26.2 6.9 -27.7 65 31 B G T < 5 - 0 0 72 -3,-1.4 2,-0.3 -4,-0.2 -3,-0.2 0.651 66.3-108.9 74.9 14.8 -27.3 10.2 -29.3 66 32 B X < 0 0 48 -5,-2.9 -4,-0.1 -6,-0.2 -1,-0.1 -0.723 360.0 360.0 137.9 -88.0 -26.9 12.9 -25.7 67 33 B R 0 0 288 -2,-0.3 -1,-0.1 -6,-0.1 -6,-0.1 0.906 360.0 360.0 -66.9 360.0 -28.3 15.0 -22.9 68 !* 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 69 1 C R > 0 0 164 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -31.9 -7.0 -0.4 9.3 70 2 C M H > + 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.900 360.0 45.7 -69.0 -42.4 -4.0 -0.3 6.9 71 3 C K H > S+ 0 0 133 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.900 111.5 58.9 -75.2 -45.5 -4.7 -3.8 5.5 72 4 C X H > S+ 0 0 147 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.970 113.6 44.6 -16.1 -75.4 -9.1 -2.2 5.2 73 5 C I H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.895 115.4 42.1 -53.3 -49.8 -7.4 0.4 3.1 74 6 C E H X S+ 0 0 57 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.913 112.6 48.6 -70.4 -42.9 -5.2 -1.9 1.0 75 7 C D H X S+ 0 0 93 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.878 113.3 56.6 -68.9 -40.8 -7.8 -4.6 0.4 76 8 C X H X S+ 0 0 109 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.965 113.2 43.9 -19.7 -77.8 -10.3 -0.8 -0.7 77 9 C L H X S+ 0 0 12 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.857 113.4 46.8 -55.7 -43.2 -7.5 -0.1 -3.2 78 10 C E H X S+ 0 0 103 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.882 109.9 48.6 -69.5 -39.3 -7.2 -3.7 -4.5 79 11 C E H X S+ 0 0 83 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.911 114.7 54.3 -69.1 -45.0 -10.9 -4.2 -5.0 80 12 C X H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.949 112.9 44.7 -15.4 -77.6 -10.1 -0.1 -7.0 81 13 C L H X S+ 0 0 49 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.839 117.6 42.0 -59.8 -34.3 -7.5 -1.9 -9.1 82 14 C S H X S+ 0 0 41 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.916 109.7 49.9 -80.9 -46.5 -9.8 -4.9 -9.9 83 15 C K H X S+ 0 0 58 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.829 107.0 72.1 -65.6 -34.5 -13.1 -3.1 -10.5 84 16 C X H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.968 106.1 34.9 -8.2 -87.9 -10.0 -1.0 -13.0 85 17 C Y H X S+ 0 0 149 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.851 119.0 51.8 -59.5 -37.3 -9.9 -4.1 -15.3 86 18 C H H X S+ 0 0 86 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.933 114.0 38.6 -69.4 -50.4 -13.6 -4.9 -15.0 87 19 C I H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.908 112.9 64.9 -78.2 -44.3 -15.1 -1.5 -15.9 88 20 C X H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.962 113.6 37.8 -8.3 -82.6 -11.7 -1.5 -18.8 89 21 C N H X S+ 0 0 116 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.735 115.6 50.4 -60.2 -32.3 -13.7 -4.5 -20.2 90 22 C E H X S+ 0 0 29 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.898 108.9 47.5 -77.3 -41.7 -17.2 -3.1 -19.7 91 23 C L H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.887 115.4 52.7 -71.5 -42.4 -16.7 0.2 -21.3 92 24 C X H X S+ 0 0 51 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.982 114.5 48.0 -22.6 -76.9 -14.8 -2.5 -24.6 93 25 C R H X S+ 0 0 86 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.859 118.3 34.7 -44.6 -54.7 -18.1 -4.3 -24.3 94 26 C I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.924 117.3 46.4 -75.6 -49.8 -20.4 -1.2 -24.5 95 27 C K H <>S+ 0 0 25 -4,-2.5 5,-2.5 2,-0.2 -2,-0.2 0.866 115.2 57.6 -69.3 -37.1 -18.5 1.1 -26.9 96 28 C X H ><5S+ 0 0 154 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.970 113.2 43.3 -22.0 -75.5 -18.3 -3.0 -29.2 97 29 C L H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.787 110.3 51.9 -58.5 -36.0 -22.1 -2.8 -28.9 98 30 C L T 3<5S- 0 0 34 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.397 126.7 -94.9 -88.9 5.7 -22.3 0.9 -29.9 99 31 C G T < 5 + 0 0 19 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.777 58.2 165.4 79.4 31.1 -20.1 0.3 -33.0 100 32 C X < 0 0 61 -5,-2.5 -1,-0.3 -8,-0.1 -2,-0.0 -0.735 360.0 360.0 -39.8 103.5 -15.8 1.2 -32.0 101 33 C R 0 0 278 -2,-0.4 -1,-0.1 -3,-0.1 -5,-0.0 -0.335 360.0 360.0 -74.7 360.0 -15.7 -0.7 -35.3