==== 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 07-NOV-00 1G6U . COMPND 2 MOLECULE: DOMAIN SWAPPED DIMER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.L.OGIHARA,G.GHIRLANDA,J.W.BRYSON,M.GINGERY,W.F.DEGRADO,D.E . 95 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 83.2 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 . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 S > 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 167.3 9.6 29.6 7.4 2 2 A L H > + 0 0 17 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.945 360.0 50.8 -61.8 -44.9 12.0 30.4 10.3 3 3 A A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.911 109.0 50.9 -60.3 -39.3 11.1 26.9 11.8 4 4 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 114.9 41.7 -67.6 -44.6 11.8 25.1 8.5 5 5 A L H X S+ 0 0 5 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.938 113.2 53.2 -66.6 -45.6 15.2 26.8 8.1 6 6 A K H X S+ 0 0 71 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.906 111.4 47.0 -55.6 -43.0 16.1 26.3 11.8 7 7 A S H X S+ 0 0 74 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.904 112.3 48.7 -64.7 -45.1 15.3 22.6 11.6 8 8 A E H X S+ 0 0 68 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.900 109.5 52.1 -62.8 -48.5 17.3 22.1 8.4 9 9 A L H X S+ 0 0 9 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.930 110.8 49.0 -56.7 -41.1 20.4 24.0 9.9 10 10 A Q H X S+ 0 0 110 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.930 112.2 47.7 -65.8 -38.6 20.2 21.7 12.9 11 11 A A H X S+ 0 0 43 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.892 110.2 51.2 -68.9 -41.2 20.0 18.6 10.8 12 12 A L H <>S+ 0 0 31 -4,-2.8 5,-2.7 2,-0.2 4,-0.4 0.817 107.7 55.2 -63.8 -30.7 22.9 19.7 8.5 13 13 A K H ><5S+ 0 0 115 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.907 107.2 48.2 -69.2 -38.6 24.9 20.2 11.7 14 14 A K H 3<5S+ 0 0 176 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 111.5 52.5 -67.2 -32.2 24.2 16.6 12.8 15 15 A E T 3<5S- 0 0 158 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.567 112.4-121.6 -80.8 -3.3 25.3 15.6 9.2 16 16 A G T < 5 + 0 0 49 -3,-0.9 -3,-0.2 -4,-0.4 2,-0.1 0.777 46.5 175.6 70.5 21.0 28.5 17.6 9.5 17 17 A F < - 0 0 55 -5,-2.7 5,-0.2 1,-0.2 -1,-0.2 -0.455 62.0 -38.2 -64.1 131.8 27.7 19.8 6.5 18 18 A S S > S- 0 0 53 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 0.591 75.5-155.7 14.9 76.3 30.4 22.6 5.8 19 19 A P H > S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.729 77.3 37.0 -44.5 -55.5 31.0 23.3 9.5 20 20 A E H > S+ 0 0 166 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.908 119.4 48.9 -70.1 -42.1 32.2 26.9 9.7 21 21 A E H > S+ 0 0 108 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.928 114.9 45.6 -62.7 -41.2 30.0 28.2 7.0 22 22 A L H X S+ 0 0 7 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.875 107.6 57.7 -69.2 -38.5 27.0 26.5 8.5 23 23 A A H X S+ 0 0 33 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.881 104.2 52.9 -59.1 -40.3 27.9 27.7 12.1 24 24 A A H X S+ 0 0 51 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.933 110.6 47.2 -61.3 -44.3 27.8 31.3 10.8 25 25 A L H X S+ 0 0 9 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.914 109.4 54.2 -64.5 -42.7 24.2 30.6 9.4 26 26 A E H X S+ 0 0 48 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.935 111.2 44.8 -53.3 -51.2 23.2 29.0 12.7 27 27 A S H X S+ 0 0 69 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.882 111.4 52.5 -64.3 -37.4 24.3 32.1 14.6 28 28 A E H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 109.7 50.1 -64.7 -41.3 22.6 34.5 12.1 29 29 A L H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.931 110.4 49.3 -62.6 -41.5 19.4 32.5 12.5 30 30 A Q H X S+ 0 0 88 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 108.6 53.8 -62.8 -40.2 19.7 32.8 16.3 31 31 A A H X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.932 108.1 49.9 -59.5 -41.5 20.3 36.6 15.8 32 32 A L H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.912 108.9 52.3 -63.5 -38.2 17.0 36.7 13.9 33 33 A E H X S+ 0 0 50 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 110.2 48.4 -61.6 -44.7 15.2 34.8 16.7 34 34 A K H X S+ 0 0 156 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.895 110.9 49.9 -63.0 -41.5 16.5 37.3 19.2 35 35 A K H X S+ 0 0 83 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.946 109.5 52.4 -65.3 -38.8 15.4 40.2 17.0 36 36 A L H X S+ 0 0 13 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.912 109.8 48.5 -63.0 -41.6 12.0 38.6 16.7 37 37 A A H X S+ 0 0 49 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.892 109.1 53.5 -64.9 -38.5 11.8 38.3 20.5 38 38 A A H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.889 107.1 51.6 -65.1 -37.0 12.8 42.0 20.8 39 39 A L H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.922 108.7 50.4 -65.2 -41.4 10.0 43.0 18.5 40 40 A K H X S+ 0 0 92 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.899 112.0 48.4 -61.6 -38.4 7.5 41.1 20.6 41 41 A S H X S+ 0 0 81 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.913 109.4 51.1 -66.4 -44.5 8.8 42.8 23.7 42 42 A K H X S+ 0 0 101 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 110.2 51.6 -59.0 -41.7 8.6 46.3 22.0 43 43 A L H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.925 109.5 48.5 -61.1 -47.3 5.0 45.4 21.1 44 44 A Q H < S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 109.1 52.9 -60.6 -37.9 4.2 44.5 24.7 45 45 A A H < S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.923 107.2 54.0 -62.1 -41.3 5.8 47.8 25.9 46 46 A L H < 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 360.0 360.0 -61.7 -39.0 3.6 49.7 23.4 47 47 A K < 0 0 125 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.798 360.0 360.0 -66.6 360.0 0.5 48.0 24.9 48 !* 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 49 1 B S > 0 0 84 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 169.0 7.1 32.7 15.0 50 2 B L H > + 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.969 360.0 50.3 -64.8 -45.0 7.4 35.4 12.2 51 3 B A H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 110.0 51.0 -57.6 -38.9 4.0 34.4 10.9 52 4 B A H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.903 111.4 44.2 -66.9 -46.3 2.5 34.6 14.4 53 5 B L H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.894 110.3 57.7 -69.0 -33.2 3.7 38.1 15.2 54 6 B K H X S+ 0 0 87 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.943 108.9 45.4 -58.5 -48.6 2.7 39.2 11.7 55 7 B S H X S+ 0 0 69 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.879 111.3 52.3 -61.5 -40.7 -0.9 38.1 12.4 56 8 B E H X S+ 0 0 63 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.928 110.3 47.7 -63.6 -42.7 -0.9 39.7 15.8 57 9 B L H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 111.3 51.6 -62.6 -44.3 0.3 43.0 14.2 58 10 B Q H X S+ 0 0 87 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.899 108.9 51.5 -60.4 -38.8 -2.4 42.7 11.5 59 11 B A H < S+ 0 0 46 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.931 111.0 46.9 -67.1 -40.1 -5.0 42.2 14.3 60 12 B L H ><>S+ 0 0 19 -4,-2.3 5,-2.0 1,-0.2 3,-1.3 0.868 106.6 57.7 -69.1 -34.6 -3.9 45.3 16.2 61 13 B K H ><5S+ 0 0 104 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.900 99.5 59.3 -59.6 -39.3 -3.9 47.4 12.9 62 14 B K T 3<5S+ 0 0 187 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.578 106.0 50.5 -64.5 -14.5 -7.6 46.5 12.5 63 15 B E T < 5S- 0 0 146 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.271 114.6-116.8-104.9 6.5 -8.1 48.2 15.8 64 16 B G T < 5 + 0 0 54 -3,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.738 51.6 174.8 65.3 23.8 -6.2 51.4 14.9 65 17 B F < - 0 0 52 -5,-2.0 5,-0.2 1,-0.2 -1,-0.2 -0.449 61.2 -37.6 -72.1 131.2 -3.6 50.7 17.6 66 18 B S S > S- 0 0 38 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 0.664 73.4-166.8 18.7 69.8 -0.6 53.1 17.8 67 19 B P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.838 76.9 44.9 -48.7 -48.8 -0.4 53.4 14.0 68 20 B E H > S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.932 117.1 44.5 -66.2 -48.7 3.0 55.0 13.6 69 21 B E H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.4 51.2 -62.9 -42.5 4.7 52.8 16.1 70 22 B L H X S+ 0 0 2 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.838 104.8 56.4 -64.0 -35.4 3.0 49.7 14.6 71 23 B A H X S+ 0 0 53 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.887 107.5 49.8 -59.7 -41.6 4.1 50.7 11.1 72 24 B A H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.968 111.4 48.3 -61.0 -49.6 7.7 50.7 12.4 73 25 B L H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.884 109.6 52.6 -60.8 -41.0 7.3 47.2 13.9 74 26 B E H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.877 110.9 46.8 -60.0 -41.2 5.7 45.9 10.7 75 27 B S H X S+ 0 0 74 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 111.8 50.3 -68.3 -39.6 8.7 47.1 8.7 76 28 B E H X S+ 0 0 82 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.902 111.3 50.5 -60.7 -41.7 11.1 45.6 11.3 77 29 B L H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 3,-0.2 0.934 109.3 49.0 -63.3 -44.3 9.2 42.3 11.0 78 30 B Q H X S+ 0 0 89 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 104.6 60.2 -63.9 -32.9 9.4 42.4 7.2 79 31 B A H X S+ 0 0 51 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.920 105.9 48.2 -58.1 -41.4 13.2 43.1 7.6 80 32 B L H X S+ 0 0 12 -4,-1.6 4,-2.9 -3,-0.2 -2,-0.2 0.904 108.8 53.0 -67.2 -39.7 13.4 39.7 9.5 81 33 B E H X S+ 0 0 56 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.919 112.3 45.5 -62.8 -36.8 11.4 38.0 6.7 82 34 B K H X S+ 0 0 155 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.901 111.5 51.7 -71.4 -40.3 13.9 39.4 4.2 83 35 B K H X S+ 0 0 63 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.926 109.0 51.4 -61.3 -39.6 16.8 38.3 6.4 84 36 B L H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.930 108.9 49.7 -64.3 -45.9 15.3 34.8 6.6 85 37 B A H X S+ 0 0 52 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.925 109.8 53.3 -57.4 -43.9 15.0 34.7 2.7 86 38 B A H X S+ 0 0 38 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.917 108.7 48.3 -55.9 -46.4 18.7 35.8 2.6 87 39 B L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.868 109.2 52.8 -66.0 -37.1 19.8 33.0 4.9 88 40 B K H X S+ 0 0 100 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.939 111.1 47.2 -63.1 -42.3 17.9 30.4 2.9 89 41 B S H X S+ 0 0 80 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.910 110.6 51.7 -65.2 -42.2 19.7 31.7 -0.2 90 42 B K H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.934 110.0 50.0 -61.4 -42.6 23.1 31.6 1.5 91 43 B L H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.932 109.5 50.4 -61.3 -41.8 22.4 28.0 2.6 92 44 B Q H X S+ 0 0 109 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 108.5 53.3 -64.5 -36.7 21.5 27.1 -1.1 93 45 B A H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.923 107.5 51.6 -62.9 -40.8 24.7 28.7 -2.2 94 46 B L H < S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.910 106.9 52.1 -62.9 -40.2 26.6 26.4 0.4 95 47 B K H < 0 0 90 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.933 360.0 360.0 -62.2 -39.1 24.9 23.3 -1.0 96 48 B G < 0 0 122 -4,-2.3 -3,-0.0 -5,-0.2 0, 0.0 0.018 360.0 360.0 -70.6 360.0 26.1 24.4 -4.5