==== 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 4G4M . COMPND 2 MOLECULE: ALPHA4F3(6-13); . 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) . 4532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 82.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 82.0 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 0 0 0 0 0 1 1 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 G > 0 0 77 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-131.4 9.3 -2.1 -36.0 2 2 A N H > + 0 0 135 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.856 360.0 40.9 -42.7 -54.1 6.4 0.1 -34.6 3 3 A A H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.932 114.5 49.0 -67.0 -54.1 4.4 -3.0 -33.5 4 4 A D H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 114.1 48.1 -53.6 -47.5 7.2 -5.2 -32.1 5 5 A E H X S+ 0 0 102 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.853 113.5 45.9 -62.6 -41.0 8.5 -2.1 -30.1 6 6 A X H X S+ 0 0 128 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.893 112.2 52.7 -66.5 -42.0 5.1 -1.3 -28.6 7 7 A Y H X S+ 0 0 57 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.955 109.7 48.2 -58.8 -50.7 4.5 -5.1 -27.8 8 8 A K H X S+ 0 0 101 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 110.7 50.5 -60.7 -42.1 7.8 -5.2 -26.0 9 9 A E H X S+ 0 0 92 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.901 109.8 50.5 -63.3 -40.5 7.0 -2.0 -23.9 10 10 A X H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.882 110.6 50.2 -63.2 -40.6 3.6 -3.4 -22.9 11 11 A E H X S+ 0 0 77 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 109.6 51.5 -61.6 -44.1 5.3 -6.7 -21.8 12 12 A D H X S+ 0 0 82 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.878 111.4 46.1 -60.0 -45.6 7.9 -4.5 -19.8 13 13 A X H X S+ 0 0 112 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.892 111.7 52.8 -67.0 -38.7 5.0 -2.6 -18.0 14 14 A Q H X S+ 0 0 11 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.900 108.7 50.6 -60.6 -39.5 3.2 -6.0 -17.4 15 15 A E H X S+ 0 0 56 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.832 106.8 53.5 -69.9 -31.9 6.3 -7.4 -15.8 16 16 A R H X S+ 0 0 176 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.916 109.4 47.8 -69.2 -41.1 6.7 -4.3 -13.5 17 17 A L H X S+ 0 0 17 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.829 108.5 56.2 -62.6 -36.7 3.1 -4.8 -12.2 18 18 A R H X S+ 0 0 100 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.946 112.0 42.6 -60.5 -43.5 4.0 -8.5 -11.7 19 19 A K H X S+ 0 0 100 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.917 110.6 54.8 -69.6 -41.8 6.9 -7.4 -9.5 20 20 A L H X S+ 0 0 86 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.800 104.1 55.9 -58.3 -37.1 4.9 -4.7 -7.7 21 21 A R H X S+ 0 0 33 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.931 108.8 46.9 -65.9 -40.8 2.2 -7.3 -6.7 22 22 A K H < S+ 0 0 91 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.2 49.0 -64.1 -41.9 5.0 -9.4 -5.1 23 23 A K H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.862 112.9 47.7 -65.6 -39.7 6.4 -6.3 -3.3 24 24 A L H < 0 0 72 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.999 360.0 360.0 -61.4 -65.8 2.9 -5.3 -2.0 25 25 A R < 0 0 202 -4,-2.4 5,-0.0 -5,-0.1 0, 0.0 0.013 360.0 360.0 -52.2 360.0 2.0 -8.9 -0.7 26 !* 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 27 1 B G 0 0 92 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.3 -8.6 -2.2 3.7 28 2 B N > + 0 0 88 3,-0.1 4,-1.5 2,-0.0 5,-0.1 0.302 360.0 75.3-150.8 -6.4 -6.5 -0.9 0.8 29 3 B A H > S+ 0 0 74 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.925 107.2 35.6 -75.6 -47.9 -3.6 -3.5 0.6 30 4 B D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.822 115.5 55.9 -72.9 -35.4 -6.0 -6.1 -1.0 31 5 B E H > S+ 0 0 112 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.929 112.0 43.5 -62.7 -49.3 -7.9 -3.4 -3.0 32 6 B X H X S+ 0 0 108 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.933 111.4 53.0 -62.5 -48.9 -4.6 -2.2 -4.5 33 7 B Y H X S+ 0 0 55 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.891 110.5 48.8 -52.3 -49.6 -3.3 -5.8 -5.2 34 8 B K H X S+ 0 0 164 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.9 49.9 -59.3 -41.1 -6.6 -6.5 -7.1 35 9 B E H X S+ 0 0 84 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.856 109.7 52.2 -68.0 -35.5 -6.3 -3.4 -9.1 36 10 B X H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.951 110.1 46.4 -66.8 -48.2 -2.7 -4.2 -10.0 37 11 B E H X S+ 0 0 81 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.871 109.2 56.0 -67.0 -28.0 -3.5 -7.7 -11.2 38 12 B D H X S+ 0 0 79 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.939 109.9 46.2 -67.6 -38.0 -6.5 -6.2 -13.3 39 13 B X H X S+ 0 0 107 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.842 111.0 51.9 -69.6 -35.4 -4.0 -3.9 -15.0 40 14 B Q H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.905 112.2 46.8 -65.6 -40.4 -1.6 -6.8 -15.6 41 15 B E H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.860 108.3 54.8 -72.6 -34.8 -4.4 -8.8 -17.2 42 16 B R H X S+ 0 0 160 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.912 110.0 47.4 -66.2 -37.2 -5.6 -5.8 -19.3 43 17 B L H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.903 108.5 53.9 -68.0 -41.3 -2.1 -5.5 -20.8 44 18 B R H X S+ 0 0 87 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.903 113.1 45.8 -51.9 -48.1 -1.9 -9.4 -21.4 45 19 B K H X S+ 0 0 119 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.881 110.3 50.6 -64.4 -47.1 -5.2 -8.9 -23.3 46 20 B L H X S+ 0 0 83 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.789 109.0 53.5 -64.7 -30.9 -4.0 -5.8 -25.3 47 21 B R H X S+ 0 0 37 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.865 107.0 50.5 -73.6 -34.7 -0.8 -7.7 -26.3 48 22 B K H < S+ 0 0 167 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.812 110.6 51.8 -69.2 -30.4 -3.0 -10.6 -27.7 49 23 B K H < S+ 0 0 171 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.926 112.8 43.3 -70.3 -45.6 -4.9 -7.9 -29.6 50 24 B L H < 0 0 61 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.849 360.0 360.0 -66.9 -43.3 -1.7 -6.4 -31.2 51 25 B R < 0 0 223 -4,-2.3 -3,-0.1 -5,-0.1 -47,-0.0 0.251 360.0 360.0 -93.0 360.0 -0.0 -9.8 -32.0