==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 13-JUL-12 4G3B . COMPND 2 MOLECULE: ALPHA4F3D; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.C.BUER,J.L.MEAGHER,J.A.STUCKEY,E.N.G.MARSH . 52 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 82.7 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 . 43 82.7 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 1 1 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 G 0 0 77 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -17.4 -13.7 5.9 -0.6 2 2 A N > - 0 0 95 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.689 360.0-119.1 -93.5 150.0 -11.0 3.7 -2.1 3 3 A A H > S+ 0 0 57 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.871 113.8 47.8 -53.1 -44.9 -10.4 0.0 -1.1 4 4 A D H > S+ 0 0 102 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 111.8 49.8 -66.0 -41.1 -6.8 0.7 0.2 5 5 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 114.1 45.7 -60.7 -47.5 -7.9 3.8 2.2 6 6 A X H X S+ 0 0 108 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.896 108.5 55.8 -65.3 -39.2 -10.7 1.8 3.8 7 7 A Y H X S+ 0 0 58 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.928 112.1 43.5 -58.3 -43.9 -8.5 -1.2 4.5 8 8 A K H X S+ 0 0 142 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.876 114.6 48.2 -70.3 -41.6 -6.1 1.0 6.4 9 9 A E H X S+ 0 0 103 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 112.7 49.1 -66.2 -40.8 -8.8 3.0 8.3 10 10 A L H X S+ 0 0 20 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.906 110.6 51.3 -64.5 -38.8 -10.5 -0.3 9.2 11 11 A E H X S+ 0 0 77 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.901 108.0 52.0 -64.1 -41.2 -7.2 -1.7 10.4 12 12 A D H X S+ 0 0 67 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.921 111.5 46.3 -61.1 -42.8 -6.6 1.4 12.6 13 13 A X H X S+ 0 0 127 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 112.0 51.4 -63.6 -41.6 -10.0 0.9 14.2 14 14 A Q H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.914 111.6 47.2 -60.5 -44.9 -9.4 -2.8 14.7 15 15 A E H X S+ 0 0 44 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.830 108.2 54.7 -68.7 -34.2 -6.0 -2.1 16.4 16 16 A R H X S+ 0 0 135 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 109.3 48.2 -64.8 -40.4 -7.5 0.6 18.6 17 17 A L H X S+ 0 0 15 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 108.9 54.0 -64.1 -42.2 -10.1 -2.0 19.8 18 18 A R H X S+ 0 0 109 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.913 111.8 45.2 -54.1 -45.8 -7.2 -4.5 20.4 19 19 A K H X S+ 0 0 128 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.831 109.6 54.4 -69.2 -36.7 -5.5 -1.8 22.6 20 20 A X H X S+ 0 0 124 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.838 101.2 58.7 -70.4 -33.1 -8.7 -1.0 24.4 21 21 A R H X S+ 0 0 37 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.924 111.7 42.3 -57.1 -44.7 -9.2 -4.6 25.4 22 22 A K H X S+ 0 0 120 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.898 114.9 49.6 -67.5 -42.5 -5.8 -4.5 27.1 23 23 A K H < S+ 0 0 84 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 103.7 59.6 -66.4 -36.7 -6.4 -1.0 28.6 24 24 A L H < S+ 0 0 53 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.4 40.4 -58.2 -40.3 -9.8 -2.0 30.0 25 25 A R H < 0 0 208 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.772 360.0 360.0 -81.1 -31.1 -8.0 -4.7 32.1 26 26 A S < 0 0 131 -4,-1.7 0, 0.0 0, 0.0 0, 0.0 -0.417 360.0 360.0 -84.7 360.0 -4.9 -2.7 33.1 27 !* 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 28 1 B G > 0 0 80 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 128.1 -19.3 -8.5 35.1 29 2 B N H > + 0 0 148 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.884 360.0 46.6 -58.7 -44.6 -19.5 -5.1 33.3 30 3 B A H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 115.2 47.6 -64.2 -44.4 -15.8 -4.9 32.3 31 4 B D H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.914 113.2 47.6 -62.2 -44.3 -15.9 -8.5 31.1 32 5 B E H X S+ 0 0 84 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.898 112.1 49.3 -67.1 -37.2 -19.0 -8.0 29.1 33 6 B X H X S+ 0 0 143 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.942 108.3 54.4 -65.5 -43.0 -17.7 -4.8 27.6 34 7 B Y H X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.881 106.3 52.5 -55.3 -44.9 -14.4 -6.5 26.6 35 8 B K H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.899 109.1 49.0 -59.4 -43.8 -16.4 -9.2 24.8 36 9 B E H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.907 109.9 51.3 -66.4 -38.6 -18.3 -6.7 22.8 37 10 B L H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.933 111.0 48.7 -61.5 -43.8 -15.0 -4.8 21.9 38 11 B E H X S+ 0 0 61 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.887 108.5 53.8 -65.0 -35.9 -13.5 -8.1 20.7 39 12 B D H X S+ 0 0 74 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.900 110.4 46.3 -63.8 -39.7 -16.6 -8.9 18.6 40 13 B X H X S+ 0 0 119 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.910 110.7 52.9 -68.3 -40.6 -16.3 -5.6 16.9 41 14 B Q H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 109.2 50.5 -56.1 -43.8 -12.6 -6.1 16.3 42 15 B E H X S+ 0 0 72 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.872 108.5 51.2 -63.5 -42.0 -13.5 -9.5 14.7 43 16 B R H X S+ 0 0 143 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.897 109.2 50.8 -65.5 -37.6 -16.0 -8.0 12.4 44 17 B L H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 109.4 50.6 -64.9 -41.5 -13.5 -5.4 11.3 45 18 B R H X S+ 0 0 85 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 111.9 47.7 -60.2 -45.7 -10.9 -8.2 10.6 46 19 B K H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 110.4 51.5 -62.5 -39.8 -13.5 -10.1 8.5 47 20 B X H X S+ 0 0 118 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 107.4 52.8 -66.4 -35.9 -14.5 -6.9 6.6 48 21 B R H X S+ 0 0 23 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.900 108.3 50.8 -64.3 -39.0 -10.8 -6.3 5.8 49 22 B K H X S+ 0 0 114 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.904 110.5 49.7 -61.5 -41.0 -10.7 -9.9 4.4 50 23 B K H < S+ 0 0 148 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.863 108.1 53.5 -66.7 -35.2 -13.8 -9.1 2.3 51 24 B L H < S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 103.8 56.6 -65.9 -39.1 -12.1 -5.8 1.0 52 25 B R H < 0 0 181 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.861 360.0 360.0 -60.3 -40.1 -9.1 -7.9 -0.1 53 26 B S < 0 0 147 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.674 360.0 360.0 -97.2 360.0 -11.3 -10.1 -2.3