==== 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 16-JUL-12 4G4L . COMPND 2 MOLECULE: ALPHA4TBA6; . SOURCE 2 SYNTHETIC: YES . AUTHOR B.C.BUER,J.L.MEAGHER,J.A.STUCKEY,E.N.G.MARSH . 50 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 84.0 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 . 4 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 76.0 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+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 1 0 0 0 0 0 0 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 3 A A >> 0 0 65 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -42.4 -5.4 -2.3 21.8 2 4 A D T 34 + 0 0 159 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.896 360.0 47.4 -60.3 -40.9 -8.7 -0.4 22.4 3 5 A E T 34 S+ 0 0 171 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.613 115.1 45.5 -76.0 -16.0 -7.3 3.0 21.5 4 6 A X T <> S+ 0 0 78 -3,-0.7 4,-3.0 2,-0.1 5,-0.3 0.585 89.3 86.6-102.7 -14.5 -5.6 1.6 18.3 5 7 A Y H X S+ 0 0 125 -4,-1.4 4,-2.9 -3,-0.2 5,-0.2 0.899 89.3 46.5 -51.7 -55.2 -8.5 -0.4 16.9 6 8 A K H > S+ 0 0 127 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.912 116.5 45.8 -56.4 -45.7 -10.3 2.5 15.0 7 9 A E H > S+ 0 0 122 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.938 116.6 43.6 -62.4 -50.9 -6.9 3.6 13.5 8 10 A X H X S+ 0 0 27 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.864 112.4 52.6 -68.2 -34.5 -5.8 0.1 12.5 9 11 A E H X S+ 0 0 59 -4,-2.9 4,-2.7 -5,-0.3 -1,-0.2 0.916 109.6 50.3 -63.3 -42.6 -9.3 -0.9 11.2 10 12 A D H X S+ 0 0 81 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.921 110.8 48.6 -62.5 -43.0 -9.2 2.3 9.0 11 13 A X H X S+ 0 0 82 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.930 110.8 50.4 -63.8 -42.8 -5.8 1.3 7.7 12 14 A Q H X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.934 112.5 48.2 -58.4 -43.4 -7.0 -2.3 6.9 13 15 A E H X S+ 0 0 48 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.867 108.0 53.6 -64.7 -41.0 -10.0 -0.8 5.1 14 16 A R H X S+ 0 0 167 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.915 111.2 45.9 -61.3 -43.2 -7.8 1.7 3.0 15 17 A X H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.887 110.3 54.7 -66.2 -38.7 -5.6 -1.3 1.9 16 18 A R H X S+ 0 0 114 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.934 109.9 46.0 -59.8 -43.9 -8.8 -3.3 1.1 17 19 A K H X S+ 0 0 124 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.857 111.3 52.3 -67.5 -37.3 -10.2 -0.5 -1.2 18 20 A X H >X S+ 0 0 97 -4,-1.9 4,-1.0 2,-0.2 3,-0.7 0.932 106.9 52.2 -65.3 -43.9 -6.8 -0.1 -2.9 19 21 A R H >< S+ 0 0 57 -4,-2.5 3,-0.7 1,-0.2 4,-0.3 0.886 106.8 54.5 -56.4 -42.5 -6.6 -3.8 -3.7 20 22 A K H >< S+ 0 0 129 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.779 100.1 60.8 -64.4 -28.4 -10.1 -3.6 -5.3 21 23 A K H << S+ 0 0 141 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.820 93.4 63.5 -67.6 -32.6 -8.9 -0.8 -7.6 22 24 A X T << 0 0 78 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.620 360.0 360.0 -67.0 -13.5 -6.3 -3.1 -9.2 23 25 A R < 0 0 123 -3,-1.1 -3,-0.0 -4,-0.3 0, 0.0 0.053 360.0 360.0 -95.9 360.0 -9.3 -5.2 -10.4 24 !* 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 25 1 B G > 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 137.9 4.4 -8.7 -14.7 26 2 B N H > + 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.908 360.0 48.2 -60.7 -46.2 4.6 -5.4 -12.8 27 3 B A H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.868 112.4 49.8 -62.5 -43.0 0.8 -5.3 -12.1 28 4 B D H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 112.0 46.8 -64.1 -44.6 0.8 -8.9 -10.9 29 5 B E H X S+ 0 0 127 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.863 112.5 51.1 -65.8 -33.8 3.7 -8.3 -8.5 30 6 B X H X S+ 0 0 97 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.947 110.1 49.2 -65.1 -48.9 2.0 -5.1 -7.3 31 7 B Y H X S+ 0 0 91 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.918 112.6 47.6 -57.3 -44.5 -1.3 -7.1 -6.6 32 8 B K H X S+ 0 0 105 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.898 111.7 50.3 -66.0 -39.2 0.6 -9.8 -4.7 33 9 B E H X S+ 0 0 107 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.909 110.4 49.3 -65.7 -41.4 2.5 -7.2 -2.7 34 10 B X H X S+ 0 0 17 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 50.5 -64.6 -41.8 -0.8 -5.4 -1.8 35 11 B E H X S+ 0 0 71 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 111.3 49.4 -59.5 -42.1 -2.3 -8.8 -0.7 36 12 B D H X S+ 0 0 95 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.893 108.8 51.7 -66.4 -37.8 0.8 -9.5 1.4 37 13 B X H X S+ 0 0 76 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.902 108.1 52.4 -65.4 -40.1 0.5 -6.0 3.1 38 14 B Q H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 112.4 45.6 -58.2 -45.5 -3.2 -6.8 3.9 39 15 B E H X S+ 0 0 77 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.876 107.7 56.5 -66.1 -38.5 -2.0 -10.0 5.5 40 16 B R H X S+ 0 0 166 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.911 109.6 46.9 -59.6 -41.0 0.8 -8.3 7.4 41 17 B X H X S+ 0 0 24 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.905 110.1 53.1 -68.1 -41.0 -1.8 -5.9 9.0 42 18 B R H X S+ 0 0 112 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.908 112.5 44.2 -58.7 -43.3 -4.1 -8.9 9.8 43 19 B K H X S+ 0 0 137 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.888 112.6 51.2 -70.2 -39.0 -1.3 -10.7 11.7 44 20 B X H X S+ 0 0 74 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.950 113.9 45.5 -60.7 -47.5 -0.1 -7.5 13.4 45 21 B R H X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.864 109.6 53.7 -63.1 -41.5 -3.7 -6.9 14.6 46 22 B K H X S+ 0 0 154 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.883 108.8 50.9 -60.9 -40.0 -4.2 -10.5 15.7 47 23 B K H < S+ 0 0 59 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.891 112.1 45.4 -64.3 -41.9 -1.0 -10.2 17.8 48 24 B X H < S+ 0 0 73 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.858 114.7 48.0 -68.9 -39.7 -2.2 -7.0 19.5 49 25 B R H < S+ 0 0 104 -4,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.784 106.8 61.1 -71.3 -31.5 -5.8 -8.5 20.1 50 26 B S < 0 0 102 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.704 360.0 360.0-130.3 77.4 -4.2 -11.7 21.5 51 27 B G 0 0 103 -3,-0.5 -2,-0.2 -2,-0.3 -3,-0.2 0.158 360.0 360.0-158.7 360.0 -3.0 -9.9 23.7