==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 21-JAN-08 2ZGG . COMPND 2 MOLECULE: 3 REPEAT SYNTHETIC ANKYRIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.MCDONOUGH,C.J.SCHOFIELD . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 71.6 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 . 2 2.3 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 . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 5.7 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 3 0 2 0 1 0 0 0 0 0 0 0 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 23 A D > 0 0 109 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 155.6 -23.9 30.9 -5.0 2 24 A L H > + 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.844 360.0 58.8 -54.6 -34.9 -24.6 28.9 -1.8 3 25 A G H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.967 107.4 43.3 -58.9 -56.2 -23.4 25.7 -3.7 4 26 A K H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 114.4 51.2 -58.6 -39.0 -19.9 27.1 -4.5 5 27 A K H X S+ 0 0 123 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.889 109.7 49.5 -68.6 -36.8 -19.6 28.5 -1.0 6 28 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.863 109.3 51.9 -67.7 -38.3 -20.5 25.2 0.6 7 29 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.891 113.4 45.4 -64.0 -41.1 -18.0 23.3 -1.6 8 30 A E H X S+ 0 0 71 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.912 111.3 51.6 -68.2 -43.5 -15.3 25.8 -0.4 9 31 A A H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.7 0.905 113.2 45.3 -61.2 -39.9 -16.4 25.6 3.2 10 32 A A H ><5S+ 0 0 0 -4,-2.4 3,-0.9 2,-0.2 -1,-0.2 0.935 112.2 51.0 -68.5 -46.4 -16.2 21.8 3.1 11 33 A R H 3<5S+ 0 0 134 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.910 114.2 44.9 -55.8 -43.3 -12.9 21.8 1.2 12 34 A A H 3<5S- 0 0 41 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.543 109.2-122.9 -79.1 -10.7 -11.5 24.2 3.9 13 35 A G T <<5 + 0 0 16 -3,-0.9 2,-1.3 -4,-0.7 -3,-0.2 0.786 57.3 152.5 72.9 26.8 -12.9 22.3 6.8 14 36 A Q >>< + 0 0 61 -5,-2.4 4,-1.9 -6,-0.2 3,-0.8 -0.670 15.4 174.1 -93.0 82.8 -14.8 25.3 8.1 15 37 A D H 3> S+ 0 0 56 -2,-1.3 4,-2.7 1,-0.3 5,-0.2 0.797 75.3 63.0 -60.0 -29.1 -17.6 23.6 9.9 16 38 A D H 3> S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.886 108.4 42.1 -63.8 -38.4 -18.9 27.0 11.2 17 39 A E H <> S+ 0 0 60 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.849 111.2 55.4 -75.2 -36.2 -19.5 28.0 7.6 18 40 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.915 107.7 49.8 -62.5 -43.4 -21.0 24.6 6.6 19 41 A R H X S+ 0 0 122 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.916 114.2 44.2 -61.1 -46.6 -23.6 24.8 9.4 20 42 A I H X S+ 0 0 100 -4,-1.4 4,-0.7 -5,-0.2 -2,-0.2 0.910 114.0 48.9 -65.7 -46.2 -24.7 28.3 8.4 21 43 A L H <>S+ 0 0 19 -4,-2.6 5,-3.0 2,-0.2 3,-0.4 0.912 113.7 46.1 -62.4 -42.0 -24.8 27.6 4.7 22 44 A M H ><5S+ 0 0 41 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.924 110.1 53.0 -66.0 -44.5 -26.8 24.4 5.2 23 45 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.654 108.4 54.1 -63.5 -16.4 -29.2 26.2 7.6 24 46 A N T 3<5S- 0 0 110 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.173 131.3 -90.6-102.8 14.5 -29.6 28.8 4.7 25 47 A G T < 5 + 0 0 60 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.555 63.8 168.2 92.2 7.6 -30.5 26.2 2.1 26 48 A A < - 0 0 10 -5,-3.0 2,-0.7 -6,-0.2 -1,-0.2 -0.308 39.4-117.0 -57.1 136.0 -27.1 25.3 0.7 27 49 A D > - 0 0 95 1,-0.1 3,-1.9 2,-0.1 -1,-0.1 -0.665 17.9-161.7 -80.2 111.5 -27.4 22.1 -1.6 28 50 A V T 3 S+ 0 0 31 -2,-0.7 11,-0.4 1,-0.3 -1,-0.1 0.617 90.4 65.0 -68.3 -8.6 -25.3 19.2 -0.2 29 51 A A T 3 S+ 0 0 62 8,-0.1 -1,-0.3 30,-0.1 -2,-0.1 0.420 75.6 131.0 -91.3 0.9 -25.5 17.7 -3.7 30 52 A A < - 0 0 14 -3,-1.9 2,-0.4 1,-0.1 -4,-0.0 -0.073 41.7-156.2 -53.1 150.7 -23.5 20.5 -5.2 31 53 A K - 0 0 114 6,-0.2 6,-0.2 7,-0.1 -24,-0.1 -0.984 4.2-145.8-133.8 146.3 -20.5 19.6 -7.4 32 54 A D > - 0 0 48 4,-1.9 3,-2.0 -2,-0.4 -28,-0.0 -0.136 52.3 -67.6 -92.3-165.2 -17.3 21.5 -8.3 33 55 A K T 3 S+ 0 0 194 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.729 135.1 44.8 -58.5 -25.4 -15.4 21.4 -11.7 34 56 A N T 3 S- 0 0 71 2,-0.1 32,-1.8 3,-0.0 -1,-0.3 0.118 122.3-100.9-105.2 17.6 -14.4 17.7 -11.2 35 57 A G S < S+ 0 0 20 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.691 71.8 154.2 71.8 16.9 -17.8 16.5 -10.0 36 58 A S - 0 0 3 29,-0.1 -4,-1.9 4,-0.1 -1,-0.2 -0.661 31.4-150.7 -81.8 132.2 -16.6 16.6 -6.4 37 59 A T > - 0 0 11 -2,-0.4 4,-1.9 -6,-0.2 5,-0.2 -0.449 35.3 -97.6 -91.6 169.7 -19.4 17.1 -3.8 38 60 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.881 127.1 57.8 -54.6 -38.7 -18.8 18.8 -0.4 39 61 A L H > S+ 0 0 3 -11,-0.4 4,-2.4 1,-0.2 5,-0.2 0.935 106.2 48.2 -57.9 -47.2 -18.4 15.3 1.1 40 62 A H H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.907 113.4 46.1 -60.6 -45.8 -15.6 14.5 -1.4 41 63 A L H X S+ 0 0 14 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.897 113.4 47.5 -67.4 -41.9 -13.7 17.7 -0.6 42 64 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 -5,-0.2 -1,-0.2 0.928 116.3 46.7 -63.2 -41.3 -14.0 17.5 3.1 43 65 A A H ><5S+ 0 0 1 -4,-2.4 3,-1.9 -5,-0.3 -2,-0.2 0.925 107.3 55.0 -67.1 -45.7 -12.9 13.9 2.8 44 66 A R H 3<5S+ 0 0 84 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.848 114.6 41.2 -57.2 -34.6 -10.0 14.6 0.5 45 67 A N T 3<5S- 0 0 91 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.278 115.3-116.8 -98.3 14.2 -8.6 17.1 3.0 46 68 A G T < 5 + 0 0 28 -3,-1.9 2,-1.4 1,-0.2 -3,-0.2 0.805 55.9 156.9 58.5 37.5 -9.4 14.8 6.0 47 69 A H >< + 0 0 58 -5,-2.9 4,-2.3 1,-0.2 3,-0.4 -0.643 10.9 174.2 -93.2 80.0 -11.9 17.1 7.7 48 70 A L H > S+ 0 0 50 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.837 74.8 55.8 -56.9 -37.7 -13.7 14.3 9.7 49 71 A E H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.1 44.2 -65.3 -39.4 -15.9 16.8 11.6 50 72 A V H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.886 110.0 56.5 -71.7 -37.0 -17.2 18.4 8.4 51 73 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 108.8 47.4 -57.2 -47.1 -17.8 14.9 6.8 52 74 A K H X S+ 0 0 107 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.926 111.8 49.9 -62.4 -44.8 -20.0 13.9 9.8 53 75 A L H X S+ 0 0 26 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.922 111.9 47.6 -60.3 -44.2 -21.9 17.2 9.6 54 76 A L H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 -1,-0.2 0.936 112.0 49.8 -63.8 -43.2 -22.5 16.7 5.9 55 77 A L H ><5S+ 0 0 49 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.945 109.9 50.6 -59.8 -47.1 -23.6 13.1 6.4 56 78 A E H 3<5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.807 104.9 59.3 -60.6 -27.7 -26.0 14.1 9.1 57 79 A A T 3<5S- 0 0 49 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.348 129.6 -95.8 -82.8 5.5 -27.4 16.7 6.7 58 80 A G T < 5 + 0 0 57 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.608 61.0 171.4 94.2 11.6 -28.3 14.0 4.3 59 81 A A < - 0 0 12 -5,-2.2 2,-1.0 -6,-0.1 -1,-0.2 -0.262 44.5-109.0 -56.9 138.0 -25.3 14.0 2.0 60 82 A D > - 0 0 102 1,-0.2 3,-1.6 -32,-0.1 -1,-0.1 -0.556 29.5-162.6 -71.4 104.2 -25.3 11.0 -0.5 61 83 A V T 3 S+ 0 0 45 -2,-1.0 10,-0.6 1,-0.3 11,-0.4 0.728 85.7 53.6 -61.8 -20.6 -22.4 9.0 1.0 62 84 A N T 3 S+ 0 0 114 8,-0.1 -1,-0.3 9,-0.1 -2,-0.1 0.428 73.1 134.0 -98.0 3.3 -22.1 7.0 -2.3 63 85 A A < - 0 0 20 -3,-1.6 2,-0.4 1,-0.1 8,-0.3 -0.219 46.3-144.3 -51.7 139.0 -21.8 10.0 -4.7 64 86 A Q - 0 0 128 6,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.905 5.9-143.3-111.9 138.7 -18.9 9.3 -7.2 65 87 A D > - 0 0 12 4,-2.1 3,-1.9 -2,-0.4 -30,-0.2 -0.004 47.0 -73.3 -85.7-164.2 -16.6 12.0 -8.5 66 88 A K T 3 S+ 0 0 132 -32,-1.8 -31,-0.1 1,-0.3 -1,-0.1 0.732 136.2 50.5 -65.3 -22.2 -15.1 12.3 -12.1 67 89 A F T 3 S- 0 0 131 -33,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.251 121.3-109.2 -95.9 8.2 -12.8 9.4 -11.3 68 90 A G S < S+ 0 0 26 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.730 71.3 146.3 71.4 22.5 -15.7 7.3 -10.0 69 91 A K - 0 0 64 4,-0.1 -4,-2.1 3,-0.0 -1,-0.2 -0.742 38.0-151.5 -97.3 139.7 -14.4 7.6 -6.4 70 92 A T > - 0 0 23 -2,-0.4 4,-2.1 -6,-0.2 5,-0.2 -0.506 38.5-101.0 -91.8 172.4 -16.7 7.8 -3.4 71 93 A A H > S+ 0 0 0 -10,-0.6 4,-2.5 -8,-0.3 5,-0.1 0.877 127.7 53.7 -63.1 -32.3 -15.5 9.7 -0.2 72 94 A F H > S+ 0 0 68 -11,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.940 105.5 52.0 -64.3 -48.4 -14.8 6.2 1.2 73 95 A D H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.886 110.6 48.7 -55.0 -42.6 -12.6 5.4 -1.8 74 96 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.956 109.2 51.7 -62.6 -48.7 -10.7 8.6 -1.3 75 97 A S H <>S+ 0 0 1 -4,-2.5 5,-2.9 1,-0.2 4,-0.4 0.833 112.0 47.7 -59.0 -33.4 -10.2 7.9 2.4 76 98 A I H ><5S+ 0 0 90 -4,-2.1 3,-1.1 3,-0.2 -1,-0.2 0.934 111.3 49.4 -72.5 -48.1 -8.8 4.4 1.4 77 99 A D H 3<5S+ 0 0 93 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.878 114.7 46.1 -56.4 -38.7 -6.5 5.9 -1.3 78 100 A N T 3<5S- 0 0 96 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.526 109.3-125.4 -81.7 -9.0 -5.3 8.4 1.3 79 101 A G T < 5 + 0 0 63 -3,-1.1 2,-1.2 -4,-0.4 -3,-0.2 0.847 54.1 156.0 66.7 33.1 -4.8 5.8 4.0 80 102 A N >< + 0 0 43 -5,-2.9 4,-3.1 -6,-0.2 5,-0.2 -0.734 17.4 179.7 -95.8 90.3 -7.0 7.8 6.3 81 103 A E H > S+ 0 0 163 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.874 79.2 54.4 -55.9 -43.1 -8.3 5.0 8.7 82 104 A D H > S+ 0 0 106 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.918 113.2 42.3 -60.4 -44.0 -10.3 7.4 10.8 83 105 A L H >> S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.954 111.2 53.7 -67.3 -51.6 -12.1 8.7 7.7 84 106 A A H 3X S+ 0 0 14 -4,-3.1 4,-1.7 -9,-0.2 -2,-0.2 0.902 106.7 55.9 -49.9 -41.5 -12.6 5.3 6.2 85 107 A E H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.881 108.7 44.6 -58.6 -43.1 -14.2 4.2 9.5 86 108 A I H << S+ 0 0 49 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.797 120.6 41.3 -71.2 -30.2 -16.8 7.0 9.4 87 109 A L H < 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -15,-0.2 0.539 360.0 360.0 -96.0 -10.7 -17.6 6.4 5.7 88 110 A Q < 0 0 183 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.1 0.830 360.0 360.0 -54.4 360.0 -17.6 2.6 5.7