==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 28-APR-12 2LSE . COMPND 2 MOLECULE: FOUR HELIX BUNDLE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR B.SATHYAMOORTHY,S.PULAVARTI,G.MURPHY,J.L.MILLS,A.ELETSKI,B.S . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 73.3 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 . 8 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 57.4 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 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 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 M 0 0 99 0, 0.0 3,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 21.1 -5.8 -18.5 8.6 2 2 A Q + 0 0 179 1,-0.1 0, 0.0 4,-0.0 0, 0.0 0.123 360.0 60.7-118.4 18.0 -3.8 -21.8 8.8 3 3 A E S S- 0 0 113 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.138 121.7 -86.7-146.5 33.5 -1.6 -21.0 5.7 4 4 A E S > S+ 0 0 110 -3,-0.2 4,-2.1 1,-0.1 5,-0.2 0.461 88.5 129.7 71.9 6.9 0.4 -17.8 6.6 5 5 A R H > S+ 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.882 72.2 49.5 -58.9 -43.5 -2.5 -15.5 5.3 6 6 A K H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 110.9 49.6 -62.3 -40.9 -2.6 -13.4 8.6 7 7 A K H > S+ 0 0 142 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.867 110.6 51.0 -65.5 -37.6 1.3 -12.9 8.4 8 8 A L H X S+ 0 0 33 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.932 116.9 38.3 -63.7 -48.6 1.0 -11.8 4.7 9 9 A L H X S+ 0 0 22 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.731 112.0 59.6 -75.3 -26.1 -1.8 -9.2 5.5 10 10 A E H X S+ 0 0 92 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.920 110.6 41.2 -66.3 -46.5 -0.0 -8.2 8.8 11 11 A K H X S+ 0 0 76 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.834 113.8 55.3 -65.3 -36.8 3.1 -7.2 6.9 12 12 A L H X S+ 0 0 5 -4,-1.4 4,-2.3 2,-0.2 3,-0.2 0.942 109.4 44.2 -65.1 -49.8 0.8 -5.6 4.2 13 13 A E H X S+ 0 0 47 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.783 109.8 58.5 -62.9 -30.7 -1.0 -3.3 6.8 14 14 A K H X S+ 0 0 97 -4,-1.2 4,-1.3 2,-0.2 -1,-0.2 0.858 107.1 47.0 -65.7 -37.1 2.5 -2.6 8.2 15 15 A I H >X S+ 0 0 6 -4,-1.6 4,-1.6 -3,-0.2 3,-0.6 0.964 110.9 50.3 -66.5 -51.2 3.4 -1.2 4.7 16 16 A L H 3X S+ 0 0 10 -4,-2.3 4,-1.9 1,-0.3 -2,-0.2 0.791 107.1 56.6 -56.1 -32.9 0.2 0.9 4.5 17 17 A D H 3X S+ 0 0 79 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.875 111.6 41.9 -62.9 -41.6 1.2 2.2 8.0 18 18 A E H < S+ 0 0 27 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.933 125.2 35.6 -68.2 -49.1 0.4 7.0 5.3 21 21 A D H 3< S+ 0 0 117 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.910 123.4 43.3 -73.2 -44.9 3.1 8.2 7.8 22 22 A G T 3< S+ 0 0 20 -4,-1.6 48,-0.2 -5,-0.2 -1,-0.2 0.097 89.6 131.7 -90.4 20.2 6.0 8.2 5.2 23 23 A A S < S- 0 0 15 -3,-0.6 2,-2.0 2,-0.1 -3,-0.1 -0.304 75.7 -98.4 -64.3 151.4 3.8 9.9 2.5 24 24 A P > - 0 0 23 0, 0.0 3,-1.8 0, 0.0 2,-0.8 -0.527 61.9 -99.8 -69.8 73.2 5.0 13.0 0.5 25 25 A D G > S+ 0 0 148 -2,-2.0 3,-1.0 1,-0.3 4,-0.3 -0.196 115.8 33.2 52.2 -87.3 3.1 15.5 2.7 26 26 A E G > S+ 0 0 159 -2,-0.8 3,-0.5 1,-0.2 4,-0.5 0.756 109.2 67.6 -72.2 -26.4 -0.2 16.3 0.7 27 27 A A G <> S+ 0 0 16 -3,-1.8 4,-1.5 1,-0.2 3,-0.3 0.672 81.8 82.1 -67.1 -18.2 -0.3 12.7 -0.8 28 28 A R H <> S+ 0 0 105 -3,-1.0 4,-2.5 1,-0.2 3,-0.3 0.902 86.7 49.6 -55.7 -52.1 -1.1 11.3 2.7 29 29 A E H <> S+ 0 0 148 -3,-0.5 4,-1.1 -4,-0.3 -1,-0.2 0.809 109.2 54.4 -63.8 -31.4 -4.9 12.0 2.8 30 30 A R H > S+ 0 0 115 -4,-0.5 4,-1.0 -3,-0.3 -1,-0.2 0.889 113.5 42.8 -60.9 -43.8 -5.2 10.4 -0.7 31 31 A I H X S+ 0 0 1 -4,-1.5 4,-2.7 -3,-0.3 5,-0.3 0.889 104.9 63.4 -70.0 -43.2 -3.5 7.2 0.8 32 32 A E H X S+ 0 0 69 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.787 102.1 49.8 -60.9 -36.1 -5.5 7.2 4.2 33 33 A K H X S+ 0 0 145 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.975 115.7 40.5 -63.0 -55.6 -8.9 6.6 2.5 34 34 A L H X S+ 0 0 36 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.867 115.0 51.7 -66.2 -39.2 -7.7 3.6 0.3 35 35 A A H X S+ 0 0 8 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.852 111.0 48.7 -64.0 -39.0 -5.6 2.1 3.1 36 36 A K H X S+ 0 0 142 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.895 110.3 51.6 -63.9 -43.6 -8.6 2.3 5.5 37 37 A D H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.849 103.4 58.1 -63.5 -38.4 -10.8 0.6 2.7 38 38 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.917 100.7 57.8 -56.7 -44.6 -8.2 -2.3 2.3 39 39 A K H < S+ 0 0 120 -4,-1.3 -1,-0.2 2,-0.2 4,-0.2 0.861 109.9 43.3 -53.7 -44.2 -8.7 -3.1 6.1 40 40 A D H >X S+ 0 0 85 -4,-1.1 4,-2.8 1,-0.2 3,-2.1 0.974 110.7 54.7 -62.5 -53.8 -12.5 -3.6 5.5 41 41 A E H 3< S+ 0 0 50 -4,-2.4 6,-0.9 1,-0.3 -2,-0.2 0.633 84.6 84.2 -59.6 -22.2 -11.9 -5.6 2.3 42 42 A L T 3< S- 0 0 27 -4,-1.5 -1,-0.3 4,-0.2 -2,-0.1 0.752 124.3 -3.9 -49.8 -28.9 -9.6 -8.1 4.2 43 43 A E T <4 S+ 0 0 185 -3,-2.1 -2,-0.2 -4,-0.2 -1,-0.1 0.524 137.1 56.5-132.0 -38.2 -12.9 -9.8 5.2 44 44 A E S < S- 0 0 157 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.998 118.1 -14.3 -61.8 -73.1 -15.8 -7.6 3.7 45 45 A G S S- 0 0 32 -7,-0.1 2,-1.0 1,-0.0 -7,-0.0 0.166 108.6 -27.7-110.5-135.3 -14.9 -7.5 -0.1 46 46 A D > + 0 0 114 1,-0.2 4,-1.6 2,-0.1 -4,-0.2 -0.701 50.8 170.1 -97.0 88.9 -11.9 -8.3 -2.4 47 47 A A H > S+ 0 0 11 -2,-1.0 4,-1.5 -6,-0.9 -1,-0.2 0.907 78.9 53.3 -60.9 -48.8 -8.6 -7.9 -0.3 48 48 A K H > S+ 0 0 57 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.877 110.4 48.1 -56.0 -43.1 -6.3 -9.4 -3.0 49 49 A N H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 108.3 55.0 -66.0 -37.1 -7.7 -7.0 -5.6 50 50 A M H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.745 101.9 57.1 -68.4 -28.5 -7.1 -4.0 -3.1 51 51 A I H X S+ 0 0 18 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.902 111.5 43.2 -65.1 -43.1 -3.4 -5.1 -2.7 52 52 A E H X S+ 0 0 16 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.917 114.4 51.3 -62.0 -46.9 -3.2 -4.6 -6.6 53 53 A K H X S+ 0 0 115 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.913 114.6 41.4 -59.1 -47.6 -5.3 -1.3 -6.3 54 54 A F H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.816 113.4 53.7 -72.6 -35.9 -3.0 0.2 -3.6 55 55 A R H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.926 115.0 39.6 -63.3 -47.9 0.2 -1.0 -5.3 56 56 A D H X S+ 0 0 17 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.776 115.1 53.7 -74.6 -29.8 -0.7 0.6 -8.7 57 57 A E H X S+ 0 0 35 -4,-1.7 4,-1.8 -5,-0.3 3,-0.2 0.892 105.1 55.1 -67.4 -44.1 -2.1 3.7 -6.8 58 58 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.878 104.9 52.0 -55.8 -43.4 1.2 4.1 -4.9 59 59 A E H X S+ 0 0 32 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.803 105.6 55.8 -68.9 -29.8 3.3 4.2 -8.2 60 60 A Q H X S+ 0 0 35 -4,-1.0 4,-1.2 -3,-0.2 -2,-0.2 0.954 115.3 37.4 -60.0 -50.6 1.0 7.0 -9.6 61 61 A M H X S+ 0 0 13 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.701 115.3 56.2 -74.6 -23.9 1.8 9.2 -6.4 62 62 A Y H < S+ 0 0 65 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.893 108.4 45.5 -73.9 -47.1 5.5 8.0 -6.5 63 63 A K H < S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 116.4 48.5 -60.6 -35.1 6.0 9.2 -10.1 64 64 A D H < S+ 0 0 60 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.846 135.4 1.5 -75.3 -37.0 4.3 12.4 -9.1 65 65 A A < - 0 0 35 -4,-1.7 2,-0.6 -5,-0.1 -1,-0.3 -0.741 67.0-173.9-157.4 96.5 6.4 12.9 -5.8 66 66 A P + 0 0 86 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.871 10.2 168.3 -95.5 113.8 9.2 10.4 -4.8 67 67 A N - 0 0 77 -2,-0.6 -44,-0.1 -45,-0.2 -5,-0.0 0.954 58.4 -92.2 -81.8 -64.0 10.8 11.2 -1.2 68 68 A A S > S+ 0 0 64 0, 0.0 4,-1.0 0, 0.0 3,-0.4 -0.036 118.8 50.6-179.8 -56.4 12.9 8.0 -0.6 69 69 A V H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.798 96.5 73.6 -68.9 -30.2 10.8 5.4 1.4 70 70 A M H > S+ 0 0 0 1,-0.2 4,-1.1 -48,-0.2 -1,-0.2 0.866 99.6 45.7 -51.2 -43.7 7.9 5.8 -1.3 71 71 A E H > S+ 0 0 84 -3,-0.4 4,-1.4 2,-0.2 3,-0.4 0.918 111.4 50.5 -62.8 -50.8 10.1 3.8 -3.8 72 72 A Q H X S+ 0 0 101 -4,-1.0 4,-1.7 1,-0.2 -2,-0.2 0.843 106.3 56.3 -60.9 -35.2 11.0 1.1 -1.2 73 73 A L H X S+ 0 0 11 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.811 101.5 56.8 -68.1 -34.0 7.2 0.7 -0.3 74 74 A L H X S+ 0 0 8 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.2 0.917 110.1 45.3 -57.8 -45.9 6.5 -0.0 -4.1 75 75 A E H X S+ 0 0 104 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.845 111.5 53.9 -66.0 -37.1 9.0 -3.0 -3.8 76 76 A E H X S+ 0 0 44 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.948 109.6 43.8 -64.6 -54.3 7.5 -4.1 -0.4 77 77 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.812 110.9 59.7 -60.0 -31.6 3.8 -4.4 -1.6 78 78 A E H X S+ 0 0 46 -4,-1.3 4,-1.5 -5,-0.2 -1,-0.2 0.910 103.2 48.8 -63.2 -47.3 5.2 -6.1 -4.8 79 79 A K H X S+ 0 0 105 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.880 116.0 44.6 -57.2 -42.2 6.8 -9.0 -2.7 80 80 A L H X S+ 0 0 17 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.781 107.2 58.9 -75.5 -30.4 3.5 -9.4 -0.8 81 81 A L H X S+ 0 0 3 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.812 101.2 56.0 -69.9 -33.9 1.5 -9.3 -4.1 82 82 A K H < S+ 0 0 137 -4,-1.5 3,-0.2 2,-0.2 -1,-0.2 0.916 113.0 40.3 -61.5 -46.3 3.4 -12.3 -5.5 83 83 A K H < S+ 0 0 118 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.787 114.1 54.4 -72.2 -31.3 2.4 -14.4 -2.4 84 84 A A H < S+ 0 0 13 -4,-1.7 2,-1.9 1,-0.2 -1,-0.2 0.630 85.5 89.2 -75.7 -17.8 -1.2 -12.8 -2.6 85 85 A G >< - 0 0 19 -4,-0.9 2,-0.9 -3,-0.2 3,-0.6 -0.423 65.3-175.2 -78.6 62.3 -1.4 -14.0 -6.3 86 86 A S T 3 S- 0 0 97 -2,-1.9 -3,-0.1 1,-0.3 -2,-0.1 -0.502 80.0 -26.5 -67.5 97.4 -2.9 -17.4 -5.2 87 87 A L T 3 S+ 0 0 180 -2,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.494 119.4 118.2 66.8 9.6 -3.0 -19.1 -8.7 88 88 A V < - 0 0 52 -3,-0.6 2,-1.3 -6,-0.1 -1,-0.2 -0.884 51.3-163.1-111.2 101.5 -3.2 -15.5 -10.2 89 89 A P + 0 0 126 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.682 42.9 132.6 -81.2 89.0 -0.3 -14.4 -12.5 90 90 A R + 0 0 135 -2,-1.3 -2,-0.1 -9,-0.1 -5,-0.1 -0.999 7.0 102.5-145.9 138.3 -0.9 -10.6 -12.4 91 91 A G + 0 0 34 -2,-0.3 -1,-0.1 2,-0.0 -9,-0.0 0.338 26.3 140.6 154.7 45.6 1.3 -7.4 -11.9 92 92 A S - 0 0 125 3,-0.0 3,-0.0 1,-0.0 -2,-0.0 0.586 64.3-117.8 -79.3 -11.9 2.0 -5.7 -15.3 93 93 A Y - 0 0 64 1,-0.1 2,-0.7 2,-0.1 -2,-0.0 0.726 20.0-102.7 69.4 120.7 1.6 -2.2 -13.8 94 94 A L - 0 0 110 1,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.656 48.6-113.7 -69.2 109.2 -1.2 0.1 -15.0 95 95 A E + 0 0 185 -2,-0.7 2,-0.3 -3,-0.0 -1,-0.1 -0.295 55.5 152.6 -60.4 105.1 0.8 2.5 -17.3 96 96 A H + 0 0 70 -2,-0.4 -1,-0.0 1,-0.1 -36,-0.0 -0.824 26.0 173.1-124.3 167.0 0.8 6.1 -15.7 97 97 A H S S- 0 0 145 -2,-0.3 -1,-0.1 3,-0.0 -2,-0.0 0.364 77.4 -55.0-132.3 -70.5 3.2 9.1 -15.8 98 98 A H - 0 0 98 -34,-0.0 -34,-0.0 -35,-0.0 -2,-0.0 0.366 50.3-153.6-145.4 -29.4 1.4 12.1 -14.0 99 99 A H - 0 0 142 0, 0.0 -39,-0.0 0, 0.0 -3,-0.0 0.469 61.5 -80.0 57.2 10.9 -1.9 12.4 -16.0 100 100 A H 0 0 150 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.291 360.0 360.0 69.5 150.6 -1.8 16.2 -14.9 101 101 A H 0 0 184 -37,-0.0 -37,-0.0 0, 0.0 -3,-0.0 0.976 360.0 360.0 -72.4 360.0 -2.9 17.4 -11.4